A0A077Z136_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z136, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 428 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	32.4	Very low	246 Å²	246	154.8 Å²	154.8	100%	1.212	88%	0.875	S	S	*	*				0	78	0	-75.1	179.2	-178.3	0	0	105.7
2	E	31.3	Very low	32.5	Very low	191 Å²	191	148.3 Å²	148.3	89%	0.893	85%	0.847	S	S	*	*			trans	-119.2	124.9	-170.4	-72.9	167.3	144.9	0	0	106
3	A	34.8	Very low	33.1	Very low	106 Å²	106	147.4 Å²	147.4	88%	0.876	84%	0.835	S	S	*	*			trans	-104.4	126.3	177.8	0	0	0	0	0	108.7
4	N	34.2	Very low	33.6	Very low	158 Å²	158	141.1 Å²	141.1	85%	0.845	81%	0.806	S	S	*	*			trans	-53.6	135.3	-170.7	-70	-29.1	0	0	0	114.3
5	M	33	Very low	33.6	Very low	176 Å²	176	141 Å²	141	87%	0.867	80%	0.802	S	S	*	*			trans	-93.5	98.1	166	-158.6	171.2	82.8	0	0	107.2	T7	M5-T7 PolarHBondContact O-N 3.48Å
6	E	33.7	Very low	33.8	Very low	189 Å²	189	138.9 Å²	138.9	88%	0.883	79%	0.786	S	S	*	*			trans	-77.3	113.6	170.8	-86.3	178.7	162.7	0	0	109.3
7	T	30.5	Very low	33.7	Very low	118 Å²	118	134.9 Å²	134.9	72%	0.724	76%	0.762	S	S	*	*			trans	-72.4	118.4	169.6	43.8	0	0	0	0	109.7	M5 E9	M5-T7 PolarHBondContact O-N 3.48Å; T7-E9 PolarHBondContact O-N 3.14Å
8	A	32.2	Very low	34	Very low	104 Å²	104	129.6 Å²	129.6	86%	0.86	74%	0.737	S	S	*	*			trans	-71.7	114.6	170	0	0	0	0	0	109.8	S10	A8-S10 PolarHBondContact O-N 3.38Å
9	E	30.4	Very low	34.1	Very low	187 Å²	187	126.9 Å²	126.9	87%	0.874	73%	0.728	S	S	*	*			trans	-63.1	123	171.7	-71.3	176.9	150.2	0	0	110.4	T7 S11	T7-E9 PolarHBondContact O-N 3.14Å; E9-S11 PolarHBondContact O-N 2.8Å; E9-S11 VanDerWaalsContact O-N 3.15Å
10	S	29.9	Very low	34.2	Very low	119 Å²	119	127.3 Å²	127.3	83%	0.832	72%	0.723	S	S	*	*			trans	-76.1	90.7	168.4	63.1	0	0	0	0	109.2	A8 S12	A8-S10 PolarHBondContact O-N 3.38Å; S10-S12 PolarHBondContact O-N 3.49Å
11	S	29.7	Very low	34.4	Very low	109 Å²	109	127.1 Å²	127.1	76%	0.762	72%	0.716	S	S	*	*			trans	-74.5	109.9	165.4	59.8	0	0	0	0	108.8	E9	E9-S11 PolarHBondContact O-N 2.8Å; E9-S11 VanDerWaalsContact O-N 3.15Å
12	S	33.9	Very low	34.6	Very low	76 Å²	76	119.5 Å²	119.5	53%	0.531	68%	0.683	S	S	.	*			trans	-55.8	135.1	169.8	36.7	0	0	0	0	110.8	S10 S14	S10-S12 PolarHBondContact O-N 3.49Å; S12-S14 PolarHBondContact O-N 3.44Å
13	I	40.6	Very low	34.6	Very low	137 Å²	137	117.8 Å²	117.8	70%	0.703	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	1.6	-178.2	-86.4	169	0	0	0	112.9
14	S	40.5	Very low	34.7	Very low	60 Å²	60	116.9 Å²	116.9	42%	0.42	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100	6.5	-169.4	47.3	0	0	0	0	117.2	S12 D279	S12-S14 PolarHBondContact O-N 3.44Å; S14-D279 WeakPolarHBondContact CB-OD2 3.38Å; S14-D279 PolarHBondContact OG-OD2 2.78Å
15	D	33.3	Very low	35.1	Very low	139 Å²	139	113.4 Å²	113.4	74%	0.743	64%	0.637	S	S	*	*			trans	-94.7	16.4	177.1	-71.3	-37.8	0	0	0	114.2	D17	D15-D17 PolarHBondContact O-N 2.81Å
16	I	36.3	Very low	35.6	Very low	107 Å²	107	110.3 Å²	110.3	55%	0.549	62%	0.624	S	S	.	*	S	Bend	trans	-82.5	107.4	167.2	-58.6	177.4	0	0	0	107.6	A18	I16-A18 PolarHBondContact O-N 2.94Å; I16-A18 VanDerWaalsContact O-N 3.09Å
17	D	32.7	Very low	36	Very low	72 Å²	72	106 Å²	106	39%	0.385	61%	0.607	S	S	.	*			trans	-60.3	108.6	-179.8	-156.5	26.6	0	0	0	110	D15 S19 E20 R329	D15-D17 PolarHBondContact O-N 2.81Å; D17-S19 PolarHBondContact O-N 2.85Å; D17-S19 PolarHBondContact OD1-OG 3.24Å; D17-S19 PolarHBondContact OD2-OG 2.92Å; D17-E20 PolarHBondContact O-N 2.86Å; D17-R329 IonicContact OD1-CZ 3.84Å; D17-R329 IonicContact OD1-NH1 2.95Å; D17-R329 PolarHBondContact OD1-NH1 2.8Å; D17-R329 IonicContact OD1-NH2 3.74Å
18	A	38	Very low	37	Very low	38 Å²	38	106.2 Å²	106.2	31%	0.314	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-57.2	-13.1	178.9	0	0	0	0	0	113.5	I16 E20 E21	I16-A18 PolarHBondContact O-N 2.94Å; I16-A18 VanDerWaalsContact O-N 3.09Å; A18-E20 VanDerWaalsContact C-N 3.29Å; A18-E20 PolarHBondContact O-N 3.06Å; A18-E21 PolarHBondContact O-N 2.92Å
19	S	37.1	Very low	38.5	Very low	80 Å²	80	106.3 Å²	106.3	56%	0.559	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-72	-12.6	172.2	26.9	0	0	0	0	114.9	D17	D17-S19 PolarHBondContact O-N 2.85Å; D17-S19 PolarHBondContact OD1-OG 3.24Å; D17-S19 PolarHBondContact OD2-OG 2.92Å
20	E	35.4	Very low	40.7	Very low	134 Å²	134	99.7 Å²	99.7	63%	0.626	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-88	-14.1	172.7	-70.2	-150.6	144.3	0	0	114.1	D17 A18 V22	D17-E20 PolarHBondContact O-N 2.86Å; A18-E20 VanDerWaalsContact C-N 3.29Å; A18-E20 PolarHBondContact O-N 3.06Å; E20-V22 VanDerWaalsContact C-N 3.31Å; E20-V22 PolarHBondContact O-N 3.47Å
21	E	39.5	Very low	43.2	Very low	124 Å²	124	94.6 Å²	94.6	58%	0.579	52%	0.519	S	S	*	.	S	Bend	trans	-80	-8.4	-179.4	-68.6	-167.1	156.1	0	0	113.9	A18 R23	A18-E21 PolarHBondContact O-N 2.92Å; E21-R23 PolarHBondContact O-N 2.9Å; E21-R23 VanDerWaalsContact O-N 3.08Å
22	V	38.8	Very low	45.8	Very low	86 Å²	86	93 Å²	93	52%	0.521	50%	0.502	S	S	.	.			trans	-87.5	49.7	176.4	-163.7	0	0	0	0	111.2	E20	E20-V22 VanDerWaalsContact C-N 3.31Å; E20-V22 PolarHBondContact O-N 3.47Å
23	R	31.6	Very low	48.2	Very low	154 Å²	154	94.4 Å²	94.4	58%	0.581	51%	0.509	S	S	*	.	S	Bend	trans	-114.2	119	168	-69.4	-170.8	-173.2	166	11.7	109.8	E21 S25	E21-R23 PolarHBondContact O-N 2.9Å; E21-R23 VanDerWaalsContact O-N 3.08Å; R23-S25 PolarHBondContact O-N 2.96Å; R23-S25 VanDerWaalsContact O-N 3.09Å
24	D	38.5	Very low	50.4	Low	87 Å²	87	98.7 Å²	98.7	47%	0.465	52%	0.516	S	S	.	.			trans	-28	100.8	176.3	-174	13.8	0	0	0	115	D26 N27	D24-D26 PolarHBondContact O-N 3.21Å; D24-D26 VanDerWaalsContact O-N 3.17Å; D24-D26 PolarHBondContact OD1-N 3.46Å; D24-N27 PolarHBondContact O-N 3.11Å; D24-N27 VanDerWaalsContact O-N 3.14Å; D24-N27 PolarHBondContact OD2-ND2 2.9Å
25	S	40.7	Very low	52.6	Low	86 Å²	86	98.6 Å²	98.6	60%	0.601	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	1.6	177.7	67.2	0	0	0	0	114.9	R23 K148	R23-S25 PolarHBondContact O-N 2.96Å; R23-S25 VanDerWaalsContact O-N 3.09Å; S25-K148 VanDerWaalsContact OG-CE 3.3Å; S25-K148 WeakPolarHBondContact OG-CE 3.37Å
26	D	43.7	Very low	55.2	Low	110 Å²	110	95.1 Å²	95.1	59%	0.588	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-0.5	169.9	-74.3	-14.6	0	0	0	112.6	D24 K148	D24-D26 PolarHBondContact O-N 3.21Å; D24-D26 VanDerWaalsContact O-N 3.17Å; D24-D26 PolarHBondContact OD1-N 3.46Å; D26-K148 IonicContact OD1-NZ 3.43Å; D26-K148 PolarHBondContact OD1-NZ 3.26Å; D26-K148 IonicContact OD2-NZ 3.85Å
27	N	43	Very low	57.4	Low	98 Å²	98	91.2 Å²	91.2	52%	0.524	47%	0.473	S	S	.	.	S	Bend	trans	-91.8	147.1	163.7	-87.9	-49.8	0	0	0	110.8	D24 E29	D24-N27 PolarHBondContact O-N 3.11Å; D24-N27 VanDerWaalsContact O-N 3.14Å; D24-N27 PolarHBondContact OD2-ND2 2.9Å; N27-E29 PolarHBondContact O-N 3.29Å
28	D	52.1	Low	59.9	Low	124 Å²	124	97.7 Å²	97.7	66%	0.663	50%	0.497	S	S	*	.			trans	-55.9	22.8	-171.3	-67.6	-58.1	0	0	0	117.2	Q30	D28-Q30 PolarHBondContact O-N 3.33Å
29	E	63.5	Low	62.3	Low	105 Å²	105	96.5 Å²	96.5	49%	0.491	49%	0.489	S	S	.	.			trans	-65.2	106.2	174.5	-64.8	-163.6	176.7	0	0	109.5	N27 W62	N27-E29 PolarHBondContact O-N 3.29Å; E29-W62 WeakPolarHBondContact O-CZ2 3.47Å; E29-W62 PolarHBondContact O-NE1 3.26Å
30	Q	75.6	Confident	65	Low	48 Å²	48	93.1 Å²	93.1	22%	0.224	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-94.4	158.4	169.5	-61.8	-73.8	-41.8	0	0	108.4	D28 W62 V221 A223	D28-Q30 PolarHBondContact O-N 3.33Å; Q30-W62 VanDerWaalsContact C-CZ2 3.42Å; Q30-V221 PolarHBondContact NE2-O 2.97Å; Q30-A223 HydrophobicContact CG-CB 3.88Å
31	E	82.4	Confident	67.7	Low	13 Å²	13	87 Å²	87	6%	0.061	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-51.4	151.9	169.9	62.9	-72.2	165.6	0	0	111.7	P33 Y36 Y41 K59 W62	E31-P33 WeakPolarHBondContact O-CD 3.45Å; E31-P33 VanDerWaalsContact O-N 3.1Å; E31-Y36 HydrophobicContact CG-CD2 4.47Å; E31-Y36 HydrophobicContact CG-CE2 3.51Å; E31-Y36 WeakPolarHBondContact OE1-CE2 3.38Å; E31-Y36 PolarHBondContact OE1-OH 3.23Å; E31-Y41 HydrophobicContact CB-CD2 4.25Å; E31-Y41 HydrophobicContact CB-CE2 3.58Å; E31-Y41 HydrophobicContact CG-CD2 3.98Å; E31-Y41 HydrophobicContact CG-CE2 3.84Å; E31-K59 IonicContact OE1-NZ 3.87Å; E31-K59 PolarHBondContact OE1-NZ 3.31Å; E31-K59 IonicContact OE2-NZ 3.91Å; E31-K59 PolarHBondContact OE2-NZ 2.85Å; E31-W62 HydrophobicContact CB-CD2 4.01Å; E31-W62 HydrophobicContact CB-CE3 3.58Å; E31-W62 HydrophobicContact CB-CH2 4.4Å; E31-W62 HydrophobicContact CB-CZ3 3.8Å
32	N	84.2	Confident	70.2	Confident	76 Å²	76	81.3 Å²	81.3	41%	0.406	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-57.9	116.4	175.5	-177.2	-8.5	0	0	0	110.2	R34 E35	N32-R34 PolarHBondContact O-N 2.7Å; N32-R34 WeakPolarHBondContact OD1-CB 3.45Å; N32-R34 WeakPolarHBondContact OD1-CG 3.46Å; N32-R34 PolarHBondContact OD1-N 3.12Å; N32-R34 VanDerWaalsContact OD1-N 3.13Å; N32-E35 HydrophobicContact CB-CG 4.05Å; N32-E35 WeakPolarHBondContact O-CB 3.43Å; N32-E35 PolarHBondContact O-N 3.21Å
33	P	84.6	Confident	72.8	Confident	105 Å²	105	82.2 Å²	82.2	68%	0.682	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-58.8	-21.7	-177.4	-27	36.1	0	0	0	113.8	E31 E35 Y36	E31-P33 WeakPolarHBondContact O-CD 3.45Å; E31-P33 VanDerWaalsContact O-N 3.1Å; P33-E35 PolarHBondContact O-N 2.96Å; P33-Y36 PolarHBondContact O-N 3.39Å
34	R	86.3	Confident	75.7	Confident	226 Å²	226	75.2 Å²	75.2	85%	0.853	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-68.3	-16.6	176.8	-61	-179.8	179.2	176.7	1.4	113.1	N32 Y36	N32-R34 PolarHBondContact O-N 2.7Å; N32-R34 WeakPolarHBondContact OD1-CB 3.45Å; N32-R34 WeakPolarHBondContact OD1-CG 3.46Å; N32-R34 PolarHBondContact OD1-N 3.12Å; N32-R34 VanDerWaalsContact OD1-N 3.13Å; R34-Y36 VanDerWaalsContact C-N 3.29Å
35	E	88.2	Confident	78.2	Confident	59 Å²	59	74.5 Å²	74.5	28%	0.276	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-85.3	0.1	179.2	-62	-173.8	-175.8	0	0	113	N32 P33 G37 G40 Y41 K86	N32-E35 HydrophobicContact CB-CG 4.05Å; N32-E35 WeakPolarHBondContact O-CB 3.43Å; N32-E35 PolarHBondContact O-N 3.21Å; P33-E35 PolarHBondContact O-N 2.96Å; E35-G37 VanDerWaalsContact C-N 3.25Å; E35-G37 PolarHBondContact O-N 3.26Å; E35-G37 VanDerWaalsContact O-N 3.11Å; E35-G40 CarbonylContact O-C 3.5Å; E35-G40 WeakPolarHBondContact O-CA 3.35Å; E35-Y41 HydrophobicContact CB-CD2 3.58Å; E35-Y41 HydrophobicContact CB-CE2 3.66Å; E35-Y41 HydrophobicContact CG-CE2 4.46Å; E35-Y41 PolarHBondContact O-N 2.97Å; E35-Y41 WeakPolarHBondContact OE2-CE2 3.38Å; E35-K86 WeakPolarHBondContact OE2-CE 3.19Å; E35-K86 IonicContact OE2-NZ 2.68Å; E35-K86 PolarHBondContact OE2-NZ 3.36Å
36	Y	86.1	Confident	80.6	Confident	65 Å²	65	70.7 Å²	70.7	26%	0.255	35%	0.354	S	S	.	.	S	Bend	trans	-84.1	65.1	168.6	-76.8	-81.8	0	0	0	111.3	E31 P33 R34 Y41 C42 L43	E31-Y36 HydrophobicContact CG-CD2 4.47Å; E31-Y36 HydrophobicContact CG-CE2 3.51Å; E31-Y36 WeakPolarHBondContact OE1-CE2 3.38Å; E31-Y36 PolarHBondContact OE1-OH 3.23Å; P33-Y36 PolarHBondContact O-N 3.39Å; R34-Y36 VanDerWaalsContact C-N 3.29Å; Y36-Y41 HydrophobicContact CE2-CD2 4.49Å; Y36-C42 WeakPolarHBondContact CE1-O 3.43Å; Y36-L43 HydrophobicContact CD1-CB 4.05Å; Y36-L43 HydrophobicContact CD1-CD1 4.13Å; Y36-L43 HydrophobicContact CE1-CB 4.25Å; Y36-L43 HydrophobicContact CE1-CD1 4.05Å
37	G	82.9	Confident	82.8	Confident	26 Å²	26	66.4 Å²	66.4	27%	0.268	34%	0.335	S	S	.	.	S	Bend	trans	-147.6	-158.5	-176.7	0	0	0	0	0	113.5	E35 G39 G40	E35-G37 VanDerWaalsContact C-N 3.25Å; E35-G37 PolarHBondContact O-N 3.26Å; E35-G37 VanDerWaalsContact O-N 3.11Å; G37-G39 PolarHBondContact O-N 3.33Å; G37-G40 PolarHBondContact O-N 3.14Å
38	K	86.3	Confident	85.2	Confident	207 Å²	207	64.5 Å²	64.5	90%	0.9	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	119.8	-179.5	-174.5	178.5	-179.9	-177.6	0	110.8	G40	K38-G40 PolarHBondContact O-N 3.44Å
39	G	88.3	Confident	87.3	Confident	14 Å²	14	62.1 Å²	62.1	14%	0.144	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	2.7	-177.8	0	0	0	0	0	115.1	G37 C87 A88	G37-G39 PolarHBondContact O-N 3.33Å; G39-C87 VanDerWaalsContact CA-SG 3.5Å; G39-A88 VanDerWaalsContact O-CB 3.27Å; G39-A88 WeakPolarHBondContact O-CB 3.37Å; G39-A88 PolarHBondContact O-N 3.45Å
40	G	92.5	Very high	88.8	Confident	8 Å²	8	57.9 Å²	57.9	8%	0.082	30%	0.296	C	S	.	.	S	Bend	trans	-93.4	-151.2	-174.2	0	0	0	0	0	114	E35 G37 K38 K86 C87 H134	E35-G40 CarbonylContact O-C 3.5Å; E35-G40 WeakPolarHBondContact O-CA 3.35Å; G37-G40 PolarHBondContact O-N 3.14Å; K38-G40 PolarHBondContact O-N 3.44Å; G40-K86 WeakPolarHBondContact O-CA 3.2Å; G40-K86 WeakPolarHBondContact O-CB 3.37Å; G40-C87 PolarHBondContact O-N 3.47Å; G40-C87 VanDerWaalsContact O-N 3.12Å; G40-H134 PolarHBondContact O-CE1 3.34Å; G40-H134 VanDerWaalsContact O-CE1 3.23Å
41	Y	93.3	Very high	89.8	Confident	6 Å²	6	59.7 Å²	59.7	2%	0.024	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-72.1	152.6	-179.9	-66.6	-71.6	0	0	0	113	E31 E35 Y36 G63 H64 T67 K86 H134	E31-Y41 HydrophobicContact CB-CD2 4.25Å; E31-Y41 HydrophobicContact CB-CE2 3.58Å; E31-Y41 HydrophobicContact CG-CD2 3.98Å; E31-Y41 HydrophobicContact CG-CE2 3.84Å; E35-Y41 HydrophobicContact CB-CD2 3.58Å; E35-Y41 HydrophobicContact CB-CE2 3.66Å; E35-Y41 HydrophobicContact CG-CE2 4.46Å; E35-Y41 PolarHBondContact O-N 2.97Å; E35-Y41 WeakPolarHBondContact OE2-CE2 3.38Å; Y36-Y41 HydrophobicContact CE2-CD2 4.49Å; Y41-G63 WeakPolarHBondContact CE1-O 3.43Å; Y41-G63 PolarHBondContact OH-O 2.88Å; Y41-H64 PolarHBondContact OH-O 2.95Å; Y41-T67 HydrophobicContact CD1-CG2 3.85Å; Y41-T67 HydrophobicContact CE1-CG2 4.09Å; Y41-K86 HydrophobicContact CD1-CD 4.37Å; Y41-K86 HydrophobicContact CD1-CG 3.75Å; Y41-K86 HydrophobicContact CE1-CD 4.26Å; Y41-K86 HydrophobicContact CE1-CG 4.02Å; Y41-K86 HydrophobicContact CG-CG 4.18Å; Y41-K86 PolarHBondContact OH-NZ 2.75Å; Y41-H134 VanDerWaalsContact C-CE1 3.47Å
42	C	92.6	Very high	90.4	Very high	4 Å²	4	66.2 Å²	66.2	3%	0.027	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-80.8	124.4	169	-172.9	0	0	0	0	109.4	Y36 V44 I84 H134	Y36-C42 WeakPolarHBondContact CE1-O 3.43Å; C42-V44 HydrophobicContact CB-CG2 4.37Å; C42-V44 PolarHBondContact O-N 3.39Å; C42-I84 HydrophobicContact CB-CG2 3.58Å; C42-H134 HydrophobicContact CB-CB 4.34Å; C42-H134 PolarHBondContact N-CE1 2.98Å; C42-H134 VanDerWaalsContact N-CE1 3.26Å
43	L	92.3	Very high	91.1	Very high	106 Å²	106	64.9 Å²	64.9	56%	0.555	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-70.3	121.4	171.2	-173.4	65.2	0	0	0	109.5	Y36	Y36-L43 HydrophobicContact CD1-CB 4.05Å; Y36-L43 HydrophobicContact CD1-CD1 4.13Å; Y36-L43 HydrophobicContact CE1-CB 4.25Å; Y36-L43 HydrophobicContact CE1-CD1 4.05Å
44	V	92.4	Very high	91.7	Very high	6 Å²	6	59.9 Å²	59.9	4%	0.036	30%	0.299	C	S	.	.			trans	-130.5	133.4	-178.4	177.4	0	0	0	0	109	C42 V56 W69 I84	C42-V44 HydrophobicContact CB-CG2 4.37Å; C42-V44 PolarHBondContact O-N 3.39Å; V44-V56 HydrophobicContact CG1-CB 4.46Å; V44-V56 HydrophobicContact CG1-CG1 3.97Å; V44-V56 HydrophobicContact CG1-CG2 3.91Å; V44-W69 HydrophobicContact CB-CD2 4.39Å; V44-W69 HydrophobicContact CB-CH2 4.11Å; V44-W69 HydrophobicContact CB-CZ2 3.71Å; V44-W69 HydrophobicContact CG1-CD2 3.98Å; V44-W69 HydrophobicContact CG1-CE3 4.16Å; V44-W69 HydrophobicContact CG1-CH2 4.29Å; V44-W69 HydrophobicContact CG1-CZ2 4.13Å; V44-W69 HydrophobicContact CG1-CZ3 4.31Å; V44-W69 WeakPolarHBondContact O-CH2 3.18Å; V44-I84 HydrophobicContact CG2-CD1 3.63Å
45	H	90.7	Very high	92.2	Very high	72 Å²	72	50.3 Å²	50.3	33%	0.333	26%	0.263	S	S	.	.			trans	-111.3	152.9	178.7	-54.6	91.5	0	0	0	111.4	G47 D48	H45-G47 PolarHBondContact O-N 3.05Å; H45-D48 PolarHBondContact N-OD2 3.13Å; H45-D48 IonicContact ND1-OD2 2.75Å; H45-D48 WeakPolarHBondContact O-CB 3.48Å; H45-D48 VanDerWaalsContact O-CG 3.31Å; H45-D48 PolarHBondContact O-N 3.41Å; H45-D48 VanDerWaalsContact O-N 3.17Å
46	L	90.8	Very high	92.6	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	132.6	170	-55.7	-173.3	0	0	0	109.5	V56 I57 W69 L219 L230	L46-V56 HydrophobicContact CD2-CG1 4.23Å; L46-I57 WeakPolarHBondContact CD2-O 3.3Å; L46-W69 HydrophobicContact CD2-CE3 4.43Å; L46-W69 HydrophobicContact CD2-CZ3 3.99Å; L46-L219 HydrophobicContact CD1-CD1 3.35Å; L46-L230 HydrophobicContact CB-CD1 3.65Å; L46-L230 WeakPolarHBondContact O-CD1 3.23Å
47	G	90	Very high	92.9	Very high	20 Å²	20	44.6 Å²	44.6	21%	0.206	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	-5.7	-175.4	0	0	0	0	0	115.5	H45 Y55 V56	H45-G47 PolarHBondContact O-N 3.05Å; G47-Y55 WeakPolarHBondContact O-CE2 3.44Å; G47-V56 PolarHBondContact N-O 2.92Å
48	D	94.5	Very high	93.3	Very high	59 Å²	59	45.9 Å²	45.9	32%	0.316	24%	0.236	S	C	.	.			trans	-61.2	149	170.8	-73.1	-12.7	0	0	0	110.5	H45 Y55 V56	H45-D48 PolarHBondContact N-OD2 3.13Å; H45-D48 IonicContact ND1-OD2 2.75Å; H45-D48 WeakPolarHBondContact O-CB 3.48Å; H45-D48 VanDerWaalsContact O-CG 3.31Å; H45-D48 PolarHBondContact O-N 3.41Å; H45-D48 VanDerWaalsContact O-N 3.17Å; D48-Y55 CarbonylContact O-C 3.59Å; D48-Y55 WeakPolarHBondContact O-CA 3.4Å; D48-V56 HydrophobicContact CB-CB 4.48Å; D48-V56 HydrophobicContact CB-CG2 4.13Å; D48-V56 PolarHBondContact O-N 3.12Å
49	V	95.7	Very high	93.6	Very high	74 Å²	74	36.2 Å²	36.2	45%	0.448	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	102.9	173.8	-177	0	0	0	0	108.9	Y54 Y55	V49-Y54 CarbonylContact C-O 3.46Å; V49-Y54 WeakPolarHBondContact CA-O 3.38Å; V49-Y55 HydrophobicContact CG2-CD2 3.92Å
50	L	95.8	Very high	93.7	Very high	15 Å²	15	38.3 Å²	38.3	8%	0.079	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	136.5	178.5	-44.9	176.4	0	0	0	109.8	N52 R53 Y54 V56 I84 F125 I127	L50-N52 PolarHBondContact O-N 2.94Å; L50-N52 VanDerWaalsContact O-N 3.08Å; L50-R53 PolarHBondContact O-N 3.4Å; L50-Y54 PolarHBondContact N-O 3.45Å; L50-Y54 PolarHBondContact O-N 3.02Å; L50-V56 HydrophobicContact CD1-CG2 3.88Å; L50-V56 HydrophobicContact CD2-CG2 4.18Å; L50-V56 HydrophobicContact CG-CG2 3.77Å; L50-I84 HydrophobicContact CD1-CD1 3.91Å; L50-F125 HydrophobicContact CB-CE2 4.01Å; L50-F125 HydrophobicContact CB-CZ 3.86Å; L50-I127 HydrophobicContact CD1-CD1 4.28Å; L50-I127 HydrophobicContact CD2-CD1 4.09Å
51	N	96	Very high	93.4	Very high	86 Å²	86	39 Å²	39	46%	0.46	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	34.6	179.1	-160.6	29.9	0	0	0	114.1	R53 Y54 F125	N51-R53 PolarHBondContact O-N 3.39Å; N51-Y54 HydrophobicContact CB-CD2 4.37Å; N51-F125 HydrophobicContact CB-CB 4.5Å; N51-F125 HydrophobicContact CB-CD1 3.97Å; N51-F125 HydrophobicContact CB-CD2 3.65Å; N51-F125 HydrophobicContact CB-CE1 4.03Å; N51-F125 HydrophobicContact CB-CE2 3.7Å; N51-F125 HydrophobicContact CB-CG 3.78Å; N51-F125 HydrophobicContact CB-CZ 3.89Å
52	N	95.6	Very high	93.3	Very high	151 Å²	151	43.5 Å²	43.5	81%	0.807	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	24.5	-176.1	-59.5	-32	0	0	0	114.6	L50	L50-N52 PolarHBondContact O-N 2.94Å; L50-N52 VanDerWaalsContact O-N 3.08Å
53	R	97.2	Very high	92.9	Very high	48 Å²	48	44.7 Å²	44.7	18%	0.181	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.8	-39.2	-171.2	179.1	177.5	175.5	-173.5	-3.5	114.6	L50 N51 D73 T74 N75 M76 D123	L50-R53 PolarHBondContact O-N 3.4Å; N51-R53 PolarHBondContact O-N 3.39Å; R53-D73 IonicContact CZ-OD1 3.55Å; R53-D73 IonicContact CZ-OD2 3.45Å; R53-D73 IonicContact NE-OD1 2.81Å; R53-D73 PolarHBondContact NE-OD1 2.83Å; R53-D73 IonicContact NE-OD2 3.42Å; R53-D73 PolarHBondContact NE-OD2 3.42Å; R53-D73 IonicContact NH2-OD1 3.42Å; R53-D73 PolarHBondContact NH2-OD1 3.15Å; R53-D73 IonicContact NH2-OD2 2.72Å; R53-D73 PolarHBondContact NH2-OD2 2.99Å; R53-T74 WeakPolarHBondContact O-CG2 3.47Å; R53-T74 PolarHBondContact O-N 2.84Å; R53-T74 PolarHBondContact O-OG1 3.44Å; R53-N75 WeakPolarHBondContact CD-ND2 3.5Å; R53-N75 HydrophobicContact CG-CB 4.38Å; R53-M76 VanDerWaalsContact NH2-CG 3.33Å; R53-D123 IonicContact NH1-OD2 2.66Å; R53-D123 PolarHBondContact NH1-OD2 3.44Å
54	Y	97.9	Very high	92.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	101.4	-170.5	-57.7	-70.7	0	0	0	110.2	V49 L50 N51 W72 D73 V80 D123 F125 V138	V49-Y54 CarbonylContact C-O 3.46Å; V49-Y54 WeakPolarHBondContact CA-O 3.38Å; L50-Y54 PolarHBondContact N-O 3.45Å; L50-Y54 PolarHBondContact O-N 3.02Å; N51-Y54 HydrophobicContact CB-CD2 4.37Å; Y54-W72 WeakPolarHBondContact CA-O 3.27Å; Y54-D73 HydrophobicContact CD1-CB 4.09Å; Y54-D73 HydrophobicContact CE1-CB 3.96Å; Y54-V80 HydrophobicContact CD1-CG2 3.68Å; Y54-V80 HydrophobicContact CE1-CG2 4.01Å; Y54-D123 WeakPolarHBondContact CE2-OD2 3.3Å; Y54-D123 WeakPolarHBondContact OH-CB 3.32Å; Y54-D123 VanDerWaalsContact OH-CG 3.29Å; Y54-D123 PolarHBondContact OH-OD2 3.1Å; Y54-F125 HydrophobicContact CD2-CD1 4.45Å; Y54-F125 AromaticContact CD2-CE1 3.49Å; Y54-F125 HydrophobicContact CD2-CE1 3.49Å; Y54-F125 VanDerWaalsContact CD2-CE1 3.49Å; Y54-F125 AromaticContact CD2-CZ 3.8Å; Y54-F125 HydrophobicContact CD2-CZ 3.8Å; Y54-F125 HydrophobicContact CE2-CD1 4.05Å; Y54-F125 AromaticContact CE2-CE1 3.41Å; Y54-F125 HydrophobicContact CE2-CE1 3.41Å; Y54-F125 VanDerWaalsContact CE2-CE1 3.41Å; Y54-F125 HydrophobicContact CE2-CZ 4.2Å; Y54-V138 HydrophobicContact CD1-CG1 4.41Å; Y54-V138 HydrophobicContact CD2-CG2 4.31Å; Y54-V138 HydrophobicContact CE1-CG1 3.85Å; Y54-V138 HydrophobicContact CE1-CG2 4.29Å; Y54-V138 HydrophobicContact CE2-CG2 3.86Å
55	Y	96.3	Very high	92.6	Very high	25 Å²	25	47.6 Å²	47.6	10%	0.098	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	118.4	179.6	179.5	-88.3	0	0	0	110.6	G47 D48 V49 I57 C71 W72 L230	G47-Y55 WeakPolarHBondContact O-CE2 3.44Å; D48-Y55 CarbonylContact O-C 3.59Å; D48-Y55 WeakPolarHBondContact O-CA 3.4Å; V49-Y55 HydrophobicContact CG2-CD2 3.92Å; Y55-I57 HydrophobicContact CD1-CG1 3.97Å; Y55-I57 HydrophobicContact CE1-CG1 4.36Å; Y55-C71 CarbonylContact O-C 3.46Å; Y55-C71 WeakPolarHBondContact O-CA 3.38Å; Y55-W72 PolarHBondContact N-O 3.15Å; Y55-W72 PolarHBondContact O-N 2.99Å; Y55-L230 WeakPolarHBondContact OH-CD2 3.38Å
56	V	96.3	Very high	92.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	124.7	-174.6	-179.7	0	0	0	0	111.2	V44 L46 G47 D48 L50 W69	V44-V56 HydrophobicContact CG1-CB 4.46Å; V44-V56 HydrophobicContact CG1-CG1 3.97Å; V44-V56 HydrophobicContact CG1-CG2 3.91Å; L46-V56 HydrophobicContact CD2-CG1 4.23Å; G47-V56 PolarHBondContact N-O 2.92Å; D48-V56 HydrophobicContact CB-CB 4.48Å; D48-V56 HydrophobicContact CB-CG2 4.13Å; D48-V56 PolarHBondContact O-N 3.12Å; L50-V56 HydrophobicContact CD1-CG2 3.88Å; L50-V56 HydrophobicContact CD2-CG2 4.18Å; L50-V56 HydrophobicContact CG-CG2 3.77Å; V56-W69 HydrophobicContact CG1-CB 4.41Å; V56-W69 HydrophobicContact CG1-CD2 4.24Å; V56-W69 HydrophobicContact CG1-CE3 3.58Å; V56-W69 HydrophobicContact CG1-CZ3 4.23Å
57	I	93.9	Very high	92.9	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-45.1	-174.8	-56	178.7	0	0	0	112.2	L46 Y55 L70 W72 F79 A206 T209 L210	L46-I57 WeakPolarHBondContact CD2-O 3.3Å; Y55-I57 HydrophobicContact CD1-CG1 3.97Å; Y55-I57 HydrophobicContact CE1-CG1 4.36Å; I57-L70 HydrophobicContact CB-CD2 4.45Å; I57-L70 HydrophobicContact CB-CG 4.38Å; I57-L70 WeakPolarHBondContact CB-O 3.39Å; I57-L70 HydrophobicContact CG2-CD2 4.39Å; I57-L70 PolarHBondContact N-O 3.22Å; I57-W72 HydrophobicContact CD1-CB 3.99Å; I57-F79 HydrophobicContact CD1-CD1 3.8Å; I57-F79 HydrophobicContact CD1-CE1 3.43Å; I57-F79 VanDerWaalsContact CD1-CE1 3.43Å; I57-A206 HydrophobicContact CD1-CB 4.35Å; I57-A206 HydrophobicContact CG2-CB 4.25Å; I57-T209 HydrophobicContact CG2-CG2 4.38Å; I57-T209 VanDerWaalsContact O-CG2 3.27Å; I57-T209 WeakPolarHBondContact O-CG2 3.45Å; I57-L210 HydrophobicContact CG2-CD2 4.06Å; I57-L210 HydrophobicContact CG2-CG 4.17Å
58	R	91.3	Very high	93.2	Very high	53 Å²	53	45.5 Å²	45.5	20%	0.2	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	147	-172.3	-163.2	-164.1	163.2	145.1	-11.1	110.1	W69 L70 M205 T209	R58-W69 CarbonylContact O-C 3.55Å; R58-W69 WeakPolarHBondContact O-CA 3.15Å; R58-L70 HydrophobicContact CB-CB 4.08Å; R58-L70 HydrophobicContact CB-CD2 4.35Å; R58-L70 PolarHBondContact N-O 3.44Å; R58-L70 PolarHBondContact O-N 3.31Å; R58-M205 VanDerWaalsContact NH1-CG 3.3Å; R58-T209 HydrophobicContact CB-CG2 3.9Å; R58-T209 WeakPolarHBondContact CD-OG1 3.32Å; R58-T209 HydrophobicContact CG-CG2 3.86Å
59	K	91.6	Very high	93.3	Very high	4 Å²	4	43 Å²	43	2%	0.017	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.9	161.3	-163.5	171	172.2	-169.9	0	109.7	E31 W69	E31-K59 IonicContact OE1-NZ 3.87Å; E31-K59 PolarHBondContact OE1-NZ 3.31Å; E31-K59 IonicContact OE2-NZ 3.91Å; E31-K59 PolarHBondContact OE2-NZ 2.85Å; K59-W69 HydrophobicContact CB-CD2 4.29Å; K59-W69 HydrophobicContact CB-CE3 3.76Å; K59-W69 HydrophobicContact CB-CH2 3.99Å; K59-W69 HydrophobicContact CB-CZ2 4.46Å; K59-W69 HydrophobicContact CB-CZ3 3.61Å; K59-W69 HydrophobicContact CD-CH2 3.81Å; K59-W69 HydrophobicContact CD-CZ2 3.88Å; K59-W69 HydrophobicContact CD-CZ3 4.31Å; K59-W69 HydrophobicContact CG-CD2 4.23Å; K59-W69 HydrophobicContact CG-CE3 4.19Å; K59-W69 HydrophobicContact CG-CH2 4.04Å; K59-W69 HydrophobicContact CG-CZ2 4.05Å; K59-W69 HydrophobicContact CG-CZ3 4.11Å
60	M	90.1	Very high	93.3	Very high	57 Å²	57	39.5 Å²	39.5	28%	0.281	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-33.6	-177.9	-68.4	-63.1	-70.5	0	0	112.2	V68 L70 M205	M60-V68 HydrophobicContact CB-CB 4.47Å; M60-V68 HydrophobicContact CB-CG1 4.22Å; M60-V68 PolarHBondContact N-O 3.13Å; M60-L70 HydrophobicContact CG-CB 3.69Å; M60-L70 HydrophobicContact SD-CB 3.76Å; M60-L70 HydrophobicContact SD-CD2 4.48Å; M60-M205 HydrophobicContact CE-CE 4.17Å; M60-M205 HydrophobicContact CE-SD 3.79Å; M60-M205 HydrophobicContact SD-SD 3.67Å; M60-M205 VanDerWaalsContact SD-SD 3.67Å
61	G	87.7	Confident	93.4	Very high	24 Å²	24	38.8 Å²	38.8	25%	0.247	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.4	174.8	179.3	0	0	0	0	0	110.9	V68	G61-V68 PolarHBondContact N-O 3.08Å; G61-V68 PolarHBondContact O-N 3.32Å
62	W	89.7	Confident	93.4	Very high	100 Å²	100	35.7 Å²	35.7	38%	0.379	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	159	174.1	66.3	-81.1	0	0	0	108.6	E29 Q30 E31 T67	E29-W62 WeakPolarHBondContact O-CZ2 3.47Å; E29-W62 PolarHBondContact O-NE1 3.26Å; Q30-W62 VanDerWaalsContact C-CZ2 3.42Å; E31-W62 HydrophobicContact CB-CD2 4.01Å; E31-W62 HydrophobicContact CB-CE3 3.58Å; E31-W62 HydrophobicContact CB-CH2 4.4Å; E31-W62 HydrophobicContact CB-CZ3 3.8Å; W62-T67 HydrophobicContact CB-CG2 4.02Å
63	G	85.6	Confident	93.5	Very high	29 Å²	29	28.5 Å²	28.5	30%	0.299	14%	0.14	S	C	.	.			trans	-148.2	-178.2	170.6	0	0	0	0	0	109.4	Y41 F65 S66	Y41-G63 WeakPolarHBondContact CE1-O 3.43Å; Y41-G63 PolarHBondContact OH-O 2.88Å; G63-F65 PolarHBondContact O-N 2.86Å; G63-S66 PolarHBondContact N-O 2.59Å; G63-S66 PolarHBondContact O-N 2.62Å; G63-S66 VanDerWaalsContact O-O 3.12Å
64	H	86.5	Confident	93.4	Very high	74 Å²	74	28.4 Å²	28.4	34%	0.343	15%	0.145	S	C	.	.	S	Bend	trans	-57.4	-25.6	-177.1	177.6	-112.9	0	0	0	113.6	Y41 K86 Y91	Y41-H64 PolarHBondContact OH-O 2.95Å; H64-K86 WeakPolarHBondContact O-CD 3.49Å; H64-K86 WeakPolarHBondContact O-CE 3.23Å; H64-K86 PolarHBondContact O-NZ 3.35Å; H64-Y91 PolarHBondContact CE1-OH 3.1Å
65	F	90.7	Very high	93.3	Very high	99 Å²	99	33.4 Å²	33.4	43%	0.434	17%	0.172	S	C	.	.	S	Bend	trans	-106.4	-21.8	-174.2	-50.2	-67.6	0	0	0	114.9	G63 K86 Y91	G63-F65 PolarHBondContact O-N 2.86Å; F65-K86 WeakPolarHBondContact O-CG 3.39Å; F65-K86 PolarHBondContact O-N 3.4Å; F65-Y91 AromaticContact CD1-CD1 3.72Å; F65-Y91 HydrophobicContact CD1-CD1 3.72Å; F65-Y91 AromaticContact CD1-CE1 3.39Å; F65-Y91 HydrophobicContact CD1-CE1 3.39Å; F65-Y91 HydrophobicContact CE1-CD1 4.31Å; F65-Y91 AromaticContact CE1-CE1 3.7Å; F65-Y91 HydrophobicContact CE1-CE1 3.7Å
66	S	93.8	Very high	93.2	Very high	13 Å²	13	37.6 Å²	37.6	9%	0.091	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	166.2	-169.8	66.2	0	0	0	0	113.1	G63 K83 I84	G63-S66 PolarHBondContact N-O 2.59Å; G63-S66 PolarHBondContact O-N 2.62Å; G63-S66 VanDerWaalsContact O-O 3.12Å; S66-K83 WeakPolarHBondContact OG-CE 3.45Å; S66-I84 CarbonylContact C-O 3.55Å; S66-I84 WeakPolarHBondContact CA-O 3.31Å; S66-I84 VanDerWaalsContact CB-O 3.23Å; S66-I84 WeakPolarHBondContact CB-O 3.26Å
67	T	94.6	Very high	93.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.6	166.6	55.8	0	0	0	0	109.1	Y41 W62 W69 K83 I84	Y41-T67 HydrophobicContact CD1-CG2 3.85Å; Y41-T67 HydrophobicContact CE1-CG2 4.09Å; W62-T67 HydrophobicContact CB-CG2 4.02Å; T67-W69 PolarHBondContact OG1-NE1 3.36Å; T67-K83 WeakPolarHBondContact O-CA 3.44Å; T67-I84 PolarHBondContact N-O 3Å; T67-I84 PolarHBondContact O-N 2.99Å
68	V	95.7	Very high	93.1	Very high	41 Å²	41	46.9 Å²	46.9	25%	0.248	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.5	-178.3	-174	0	0	0	0	109.6	M60 G61 A81 S82 K83	M60-V68 HydrophobicContact CB-CB 4.47Å; M60-V68 HydrophobicContact CB-CG1 4.22Å; M60-V68 PolarHBondContact N-O 3.13Å; G61-V68 PolarHBondContact N-O 3.08Å; G61-V68 PolarHBondContact O-N 3.32Å; V68-A81 HydrophobicContact CG1-CB 4.22Å; V68-S82 CarbonylContact C-O 3.59Å; V68-S82 WeakPolarHBondContact CA-O 3.38Å; V68-K83 HydrophobicContact CG2-CB 4.27Å; V68-K83 HydrophobicContact CG2-CG 4.22Å
69	W	97	Very high	93.4	Very high	6 Å²	6	45.8 Å²	45.8	2%	0.023	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.2	-172.8	-59.7	82.6	0	0	0	111.4	V44 L46 V56 R58 K59 T67 A81 S82	V44-W69 HydrophobicContact CB-CD2 4.39Å; V44-W69 HydrophobicContact CB-CH2 4.11Å; V44-W69 HydrophobicContact CB-CZ2 3.71Å; V44-W69 HydrophobicContact CG1-CD2 3.98Å; V44-W69 HydrophobicContact CG1-CE3 4.16Å; V44-W69 HydrophobicContact CG1-CH2 4.29Å; V44-W69 HydrophobicContact CG1-CZ2 4.13Å; V44-W69 HydrophobicContact CG1-CZ3 4.31Å; V44-W69 WeakPolarHBondContact O-CH2 3.18Å; L46-W69 HydrophobicContact CD2-CE3 4.43Å; L46-W69 HydrophobicContact CD2-CZ3 3.99Å; V56-W69 HydrophobicContact CG1-CB 4.41Å; V56-W69 HydrophobicContact CG1-CD2 4.24Å; V56-W69 HydrophobicContact CG1-CE3 3.58Å; V56-W69 HydrophobicContact CG1-CZ3 4.23Å; R58-W69 CarbonylContact O-C 3.55Å; R58-W69 WeakPolarHBondContact O-CA 3.15Å; K59-W69 HydrophobicContact CB-CD2 4.29Å; K59-W69 HydrophobicContact CB-CE3 3.76Å; K59-W69 HydrophobicContact CB-CH2 3.99Å; K59-W69 HydrophobicContact CB-CZ2 4.46Å; K59-W69 HydrophobicContact CB-CZ3 3.61Å; K59-W69 HydrophobicContact CD-CH2 3.81Å; K59-W69 HydrophobicContact CD-CZ2 3.88Å; K59-W69 HydrophobicContact CD-CZ3 4.31Å; K59-W69 HydrophobicContact CG-CD2 4.23Å; K59-W69 HydrophobicContact CG-CE3 4.19Å; K59-W69 HydrophobicContact CG-CH2 4.04Å; K59-W69 HydrophobicContact CG-CZ2 4.05Å; K59-W69 HydrophobicContact CG-CZ3 4.11Å; T67-W69 PolarHBondContact OG1-NE1 3.36Å; W69-A81 CarbonylContact O-C 3.56Å; W69-A81 WeakPolarHBondContact O-CA 3.45Å; W69-S82 PolarHBondContact N-O 2.82Å; W69-S82 PolarHBondContact O-N 3.07Å
70	L	96.7	Very high	93.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	123.8	166.6	178.4	65.5	0	0	0	108.3	I57 R58 M60 F79 V141 V202 M205 A206	I57-L70 HydrophobicContact CB-CD2 4.45Å; I57-L70 HydrophobicContact CB-CG 4.38Å; I57-L70 WeakPolarHBondContact CB-O 3.39Å; I57-L70 HydrophobicContact CG2-CD2 4.39Å; I57-L70 PolarHBondContact N-O 3.22Å; R58-L70 HydrophobicContact CB-CB 4.08Å; R58-L70 HydrophobicContact CB-CD2 4.35Å; R58-L70 PolarHBondContact N-O 3.44Å; R58-L70 PolarHBondContact O-N 3.31Å; M60-L70 HydrophobicContact CG-CB 3.69Å; M60-L70 HydrophobicContact SD-CB 3.76Å; M60-L70 HydrophobicContact SD-CD2 4.48Å; L70-F79 HydrophobicContact CD1-CB 4.03Å; L70-F79 HydrophobicContact CD1-CD1 4.1Å; L70-F79 HydrophobicContact CD1-CG 4.42Å; L70-F79 HydrophobicContact CG-CD1 4.4Å; L70-V141 HydrophobicContact CD1-CG1 4.23Å; L70-V141 HydrophobicContact CD1-CG2 3.7Å; L70-V202 HydrophobicContact CD1-CG1 4.1Å; L70-M205 HydrophobicContact CD2-SD 4.4Å; L70-A206 HydrophobicContact CD2-CB 4.24Å
71	C	97.1	Very high	94	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	154.2	179.5	-60.2	0	0	0	0	111.1	Y55 F79 V80 S82	Y55-C71 CarbonylContact O-C 3.46Å; Y55-C71 WeakPolarHBondContact O-CA 3.38Å; C71-F79 WeakPolarHBondContact O-CA 3.47Å; C71-V80 HydrophobicContact CB-CG2 3.87Å; C71-V80 PolarHBondContact N-O 3.12Å; C71-V80 PolarHBondContact O-N 3.46Å; C71-S82 PolarHBondContact SG-OG 3.36Å; C71-S82 VanDerWaalsContact SG-OG 3.36Å
72	W	97.1	Very high	94.5	Very high	21 Å²	21	42.3 Å²	42.3	8%	0.08	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.2	165.4	177.1	-107.2	0	0	0	109.8	Y54 Y55 I57 T74 K77 F79	Y54-W72 WeakPolarHBondContact CA-O 3.27Å; Y55-W72 PolarHBondContact N-O 3.15Å; Y55-W72 PolarHBondContact O-N 2.99Å; I57-W72 HydrophobicContact CD1-CB 3.99Å; W72-T74 PolarHBondContact O-N 2.93Å; W72-K77 HydrophobicContact CH2-CB 4.26Å; W72-K77 VanDerWaalsContact CH2-O 3.28Å; W72-K77 WeakPolarHBondContact CH2-O 3.37Å; W72-K77 HydrophobicContact CZ2-CB 3.99Å; W72-K77 HydrophobicContact CZ2-CD 4.07Å; W72-F79 AromaticContact CE3-CD1 3.96Å; W72-F79 HydrophobicContact CE3-CD1 3.96Å; W72-F79 HydrophobicContact CE3-CD2 4.15Å; W72-F79 AromaticContact CE3-CE1 3.86Å; W72-F79 HydrophobicContact CE3-CE1 3.86Å; W72-F79 HydrophobicContact CE3-CE2 4.04Å; W72-F79 HydrophobicContact CE3-CG 4.11Å; W72-F79 AromaticContact CE3-CZ 3.91Å; W72-F79 HydrophobicContact CE3-CZ 3.91Å; W72-F79 HydrophobicContact CZ3-CD2 4.01Å; W72-F79 HydrophobicContact CZ3-CE1 4.45Å; W72-F79 AromaticContact CZ3-CE2 3.8Å; W72-F79 HydrophobicContact CZ3-CE2 3.8Å; W72-F79 HydrophobicContact CZ3-CG 4.41Å; W72-F79 HydrophobicContact CZ3-CZ 4.06Å
73	D	97.2	Very high	94.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	104.5	170.9	-178.7	-14.4	0	0	0	109.1	R53 Y54 N75 M76 K77 R78 V80	R53-D73 IonicContact CZ-OD1 3.55Å; R53-D73 IonicContact CZ-OD2 3.45Å; R53-D73 IonicContact NE-OD1 2.81Å; R53-D73 PolarHBondContact NE-OD1 2.83Å; R53-D73 IonicContact NE-OD2 3.42Å; R53-D73 PolarHBondContact NE-OD2 3.42Å; R53-D73 IonicContact NH2-OD1 3.42Å; R53-D73 PolarHBondContact NH2-OD1 3.15Å; R53-D73 IonicContact NH2-OD2 2.72Å; R53-D73 PolarHBondContact NH2-OD2 2.99Å; Y54-D73 HydrophobicContact CD1-CB 4.09Å; Y54-D73 HydrophobicContact CE1-CB 3.96Å; D73-N75 PolarHBondContact O-N 2.94Å; D73-N75 WeakPolarHBondContact OD1-CB 3.2Å; D73-N75 PolarHBondContact OD1-N 2.84Å; D73-M76 PolarHBondContact OD1-N 3.35Å; D73-M76 VanDerWaalsContact OD2-CB 3.29Å; D73-M76 WeakPolarHBondContact OD2-CB 3.19Å; D73-M76 VanDerWaalsContact OD2-CG 3.26Å; D73-M76 WeakPolarHBondContact OD2-CG 3.31Å; D73-K77 WeakPolarHBondContact O-CA 3.46Å; D73-K77 PolarHBondContact O-N 2.88Å; D73-R78 HydrophobicContact CB-CG 4.19Å; D73-R78 WeakPolarHBondContact CB-O 3.39Å; D73-R78 PolarHBondContact N-O 3.31Å; D73-V80 HydrophobicContact CB-CG1 4.12Å; D73-V80 HydrophobicContact CB-CG2 4.46Å
74	T	95	Very high	95.4	Very high	46 Å²	46	37.6 Å²	37.6	28%	0.282	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.8	-177	56.9	0	0	0	0	113.6	R53 W72 K77	R53-T74 WeakPolarHBondContact O-CG2 3.47Å; R53-T74 PolarHBondContact O-N 2.84Å; R53-T74 PolarHBondContact O-OG1 3.44Å; W72-T74 PolarHBondContact O-N 2.93Å; T74-K77 WeakPolarHBondContact O-CD 3.46Å; T74-K77 WeakPolarHBondContact O-CE 3.46Å; T74-K77 PolarHBondContact O-NZ 3.48Å
75	N	95.6	Very high	95.9	Very high	105 Å²	105	34.4 Å²	34.4	56%	0.561	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-50.7	-176.3	-64.6	1.1	0	0	0	110.6	R53 D73	R53-N75 WeakPolarHBondContact CD-ND2 3.5Å; R53-N75 HydrophobicContact CG-CB 4.38Å; D73-N75 PolarHBondContact O-N 2.94Å; D73-N75 WeakPolarHBondContact OD1-CB 3.2Å; D73-N75 PolarHBondContact OD1-N 2.84Å
76	M	94.9	Very high	96.1	Very high	114 Å²	114	30.1 Å²	30.1	56%	0.562	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-5	-177.9	-59.8	-65.7	-64	0	0	113.7	R53 D73 R78	R53-M76 VanDerWaalsContact NH2-CG 3.33Å; D73-M76 PolarHBondContact OD1-N 3.35Å; D73-M76 VanDerWaalsContact OD2-CB 3.29Å; D73-M76 WeakPolarHBondContact OD2-CB 3.19Å; D73-M76 VanDerWaalsContact OD2-CG 3.26Å; D73-M76 WeakPolarHBondContact OD2-CG 3.31Å; M76-R78 HydrophobicContact CB-CG 4.04Å; M76-R78 PolarHBondContact O-N 3.5Å
77	K	94	Very high	96.2	Very high	104 Å²	104	30.1 Å²	30.1	45%	0.452	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	48.9	177.6	-52.8	-59.2	-171.4	167.8	0	113.1	W72 D73 T74 E238	W72-K77 HydrophobicContact CH2-CB 4.26Å; W72-K77 VanDerWaalsContact CH2-O 3.28Å; W72-K77 WeakPolarHBondContact CH2-O 3.37Å; W72-K77 HydrophobicContact CZ2-CB 3.99Å; W72-K77 HydrophobicContact CZ2-CD 4.07Å; D73-K77 WeakPolarHBondContact O-CA 3.46Å; D73-K77 PolarHBondContact O-N 2.88Å; T74-K77 WeakPolarHBondContact O-CD 3.46Å; T74-K77 WeakPolarHBondContact O-CE 3.46Å; T74-K77 PolarHBondContact O-NZ 3.48Å; K77-E238 WeakPolarHBondContact CD-OE2 3.48Å; K77-E238 WeakPolarHBondContact CE-OE1 3.38Å; K77-E238 IonicContact NZ-OE1 2.78Å; K77-E238 PolarHBondContact NZ-OE1 2.94Å; K77-E238 IonicContact NZ-OE2 2.83Å; K77-E238 PolarHBondContact NZ-OE2 2.81Å
78	R	94.3	Very high	96.1	Very high	95 Å²	95	31 Å²	31	36%	0.358	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	159.6	179.9	65.3	179.7	177.2	178.2	-2.3	111.7	D73 M76 V80	D73-R78 HydrophobicContact CB-CG 4.19Å; D73-R78 WeakPolarHBondContact CB-O 3.39Å; D73-R78 PolarHBondContact N-O 3.31Å; M76-R78 HydrophobicContact CB-CG 4.04Å; M76-R78 PolarHBondContact O-N 3.5Å; R78-V80 HydrophobicContact CG-CG1 4.16Å
79	F	96.5	Very high	96	Very high	29 Å²	29	38 Å²	38	13%	0.127	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	144.7	168.2	-64.4	-80	0	0	0	111	I57 L70 C71 W72 V141 V202 I203 A206 L239	I57-F79 HydrophobicContact CD1-CD1 3.8Å; I57-F79 HydrophobicContact CD1-CE1 3.43Å; I57-F79 VanDerWaalsContact CD1-CE1 3.43Å; L70-F79 HydrophobicContact CD1-CB 4.03Å; L70-F79 HydrophobicContact CD1-CD1 4.1Å; L70-F79 HydrophobicContact CD1-CG 4.42Å; L70-F79 HydrophobicContact CG-CD1 4.4Å; C71-F79 WeakPolarHBondContact O-CA 3.47Å; W72-F79 AromaticContact CE3-CD1 3.96Å; W72-F79 HydrophobicContact CE3-CD1 3.96Å; W72-F79 HydrophobicContact CE3-CD2 4.15Å; W72-F79 AromaticContact CE3-CE1 3.86Å; W72-F79 HydrophobicContact CE3-CE1 3.86Å; W72-F79 HydrophobicContact CE3-CE2 4.04Å; W72-F79 HydrophobicContact CE3-CG 4.11Å; W72-F79 AromaticContact CE3-CZ 3.91Å; W72-F79 HydrophobicContact CE3-CZ 3.91Å; W72-F79 HydrophobicContact CZ3-CD2 4.01Å; W72-F79 HydrophobicContact CZ3-CE1 4.45Å; W72-F79 AromaticContact CZ3-CE2 3.8Å; W72-F79 HydrophobicContact CZ3-CE2 3.8Å; W72-F79 HydrophobicContact CZ3-CG 4.41Å; W72-F79 HydrophobicContact CZ3-CZ 4.06Å; F79-V141 HydrophobicContact CB-CG2 3.9Å; F79-V202 HydrophobicContact CB-CG1 3.62Å; F79-V202 HydrophobicContact CD1-CG1 4.38Å; F79-V202 HydrophobicContact CD2-CG1 3.87Å; F79-V202 HydrophobicContact CG-CG1 3.69Å; F79-I203 HydrophobicContact CD2-CG1 4.39Å; F79-I203 HydrophobicContact CE2-CB 4.48Å; F79-I203 HydrophobicContact CE2-CG1 3.68Å; F79-A206 HydrophobicContact CD1-CB 4.27Å; F79-A206 HydrophobicContact CE1-CB 3.37Å; F79-A206 HydrophobicContact CZ-CB 3.57Å; F79-L239 HydrophobicContact CZ-CD2 3.79Å
80	V	97.7	Very high	95.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	158.7	177.9	-61.7	0	0	0	0	110.3	Y54 C71 D73 R78 L122 V138 F139 V141	Y54-V80 HydrophobicContact CD1-CG2 3.68Å; Y54-V80 HydrophobicContact CE1-CG2 4.01Å; C71-V80 HydrophobicContact CB-CG2 3.87Å; C71-V80 PolarHBondContact N-O 3.12Å; C71-V80 PolarHBondContact O-N 3.46Å; D73-V80 HydrophobicContact CB-CG1 4.12Å; D73-V80 HydrophobicContact CB-CG2 4.46Å; R78-V80 HydrophobicContact CG-CG1 4.16Å; V80-L122 HydrophobicContact CG1-CD1 3.85Å; V80-V138 HydrophobicContact CB-CG1 3.61Å; V80-V138 HydrophobicContact CG1-CG1 4.03Å; V80-V138 HydrophobicContact CG2-CG1 3.64Å; V80-F139 WeakPolarHBondContact CA-O 3.43Å; V80-F139 WeakPolarHBondContact CB-O 3.47Å; V80-V141 VanDerWaalsContact C-CG2 3.43Å
81	A	97.7	Very high	95.6	Very high	13 Å²	13	45.2 Å²	45.2	11%	0.107	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.3	171.1	0	0	0	0	0	109.8	V68 W69 V138 F139	V68-A81 HydrophobicContact CG1-CB 4.22Å; W69-A81 CarbonylContact O-C 3.56Å; W69-A81 WeakPolarHBondContact O-CA 3.45Å; A81-V138 CarbonylContact O-C 3.49Å; A81-V138 WeakPolarHBondContact O-CA 3.3Å; A81-F139 HydrophobicContact CB-CB 4.47Å; A81-F139 PolarHBondContact N-O 2.63Å; A81-F139 PolarHBondContact O-N 2.76Å
82	S	97.8	Very high	95.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	111.3	177.4	-60.7	0	0	0	0	110.3	V68 W69 C71 M137	V68-S82 CarbonylContact C-O 3.59Å; V68-S82 WeakPolarHBondContact CA-O 3.38Å; W69-S82 PolarHBondContact N-O 2.82Å; W69-S82 PolarHBondContact O-N 3.07Å; C71-S82 PolarHBondContact SG-OG 3.36Å; C71-S82 VanDerWaalsContact SG-OG 3.36Å; S82-M137 CarbonylContact C-O 3.44Å; S82-M137 WeakPolarHBondContact CA-O 3.13Å
83	K	97.4	Very high	95.2	Very high	28 Å²	28	50.2 Å²	50.2	12%	0.122	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116.9	173.3	-177.6	177.9	174.9	-174.6	0	108.6	S66 T67 V68 E98 C136 M137 F139 D265	S66-K83 WeakPolarHBondContact OG-CE 3.45Å; T67-K83 WeakPolarHBondContact O-CA 3.44Å; V68-K83 HydrophobicContact CG2-CB 4.27Å; V68-K83 HydrophobicContact CG2-CG 4.22Å; K83-E98 VanDerWaalsContact NZ-CD 3.34Å; K83-E98 IonicContact NZ-OE1 3.47Å; K83-E98 PolarHBondContact NZ-OE1 2.94Å; K83-E98 IonicContact NZ-OE2 2.68Å; K83-E98 PolarHBondContact NZ-OE2 3.09Å; K83-E98 VanDerWaalsContact NZ-OE2 3.09Å; K83-C136 WeakPolarHBondContact O-CA 3.19Å; K83-M137 HydrophobicContact CB-CB 4.48Å; K83-M137 HydrophobicContact CD-CE 3.79Å; K83-M137 HydrophobicContact CG-CE 4.15Å; K83-M137 PolarHBondContact N-O 3.41Å; K83-M137 PolarHBondContact O-N 3.17Å; K83-F139 HydrophobicContact CB-CD2 4.32Å; K83-F139 HydrophobicContact CB-CE2 3.86Å; K83-F139 HydrophobicContact CD-CE2 4.21Å; K83-D265 IonicContact NZ-OD1 3.05Å
84	I	97	Very high	95	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.9	-178.3	-56.3	167.2	0	0	0	108.7	C42 V44 L50 S66 T67 I127 H134 C136	C42-I84 HydrophobicContact CB-CG2 3.58Å; V44-I84 HydrophobicContact CG2-CD1 3.63Å; L50-I84 HydrophobicContact CD1-CD1 3.91Å; S66-I84 CarbonylContact C-O 3.55Å; S66-I84 WeakPolarHBondContact CA-O 3.31Å; S66-I84 VanDerWaalsContact CB-O 3.23Å; S66-I84 WeakPolarHBondContact CB-O 3.26Å; T67-I84 PolarHBondContact N-O 3Å; T67-I84 PolarHBondContact O-N 2.99Å; I84-I127 HydrophobicContact CD1-CD1 3.87Å; I84-I127 HydrophobicContact CG1-CD1 4.06Å; I84-I127 HydrophobicContact CG2-CD1 4.2Å; I84-H134 HydrophobicContact CG2-CB 3.98Å; I84-C136 HydrophobicContact CG1-CB 4.4Å
85	V	96.2	Very high	95	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	149.3	-174.7	-172.6	0	0	0	0	110.8	A95 H134 M135 M137	V85-A95 HydrophobicContact CB-CB 4.27Å; V85-A95 HydrophobicContact CG1-CB 4.1Å; V85-A95 HydrophobicContact CG2-CB 3.92Å; V85-H134 PolarHBondContact O-ND1 3.03Å; V85-M135 PolarHBondContact N-O 3.32Å; V85-M137 HydrophobicContact CG2-CE 3.64Å
86	K	95.2	Very high	95	Very high	9 Å²	9	50 Å²	50	4%	0.039	23%	0.228	C	C	.	.			trans	-55.3	147.4	168.6	-71.5	-176.3	174.7	170.5	0	111.4	E35 G40 Y41 H64 F65 Y91	E35-K86 WeakPolarHBondContact OE2-CE 3.19Å; E35-K86 IonicContact OE2-NZ 2.68Å; E35-K86 PolarHBondContact OE2-NZ 3.36Å; G40-K86 WeakPolarHBondContact O-CA 3.2Å; G40-K86 WeakPolarHBondContact O-CB 3.37Å; Y41-K86 HydrophobicContact CD1-CD 4.37Å; Y41-K86 HydrophobicContact CD1-CG 3.75Å; Y41-K86 HydrophobicContact CE1-CD 4.26Å; Y41-K86 HydrophobicContact CE1-CG 4.02Å; Y41-K86 HydrophobicContact CG-CG 4.18Å; Y41-K86 PolarHBondContact OH-NZ 2.75Å; H64-K86 WeakPolarHBondContact O-CD 3.49Å; H64-K86 WeakPolarHBondContact O-CE 3.23Å; H64-K86 PolarHBondContact O-NZ 3.35Å; F65-K86 WeakPolarHBondContact O-CG 3.39Å; F65-K86 PolarHBondContact O-N 3.4Å; K86-Y91 HydrophobicContact CB-CD2 3.47Å; K86-Y91 VanDerWaalsContact CB-CD2 3.47Å; K86-Y91 HydrophobicContact CB-CE2 4.01Å; K86-Y91 HydrophobicContact CB-CG 4.15Å; K86-Y91 HydrophobicContact CD-CD2 4.11Å; K86-Y91 HydrophobicContact CD-CE2 3.76Å; K86-Y91 HydrophobicContact CG-CD2 4.42Å
87	C	94.7	Very high	95.1	Very high	14 Å²	14	47.1 Å²	47.1	10%	0.095	22%	0.215	C	C	.	.			trans	-92.7	2.2	-171.4	58.7	0	0	0	0	115.5	G39 G40 G131 H134	G39-C87 VanDerWaalsContact CA-SG 3.5Å; G40-C87 PolarHBondContact O-N 3.47Å; G40-C87 VanDerWaalsContact O-N 3.12Å; C87-G131 PolarHBondContact SG-O 3.16Å; C87-G131 VanDerWaalsContact SG-O 3.36Å; C87-H134 VanDerWaalsContact CB-CE1 3.48Å; C87-H134 WeakPolarHBondContact CB-CE1 3.45Å; C87-H134 PolarHBondContact SG-CE1 3.11Å; C87-H134 PolarHBondContact SG-NE2 3.23Å; C87-H134 VanDerWaalsContact SG-NE2 3.41Å
88	A	93.8	Very high	95.2	Very high	17 Å²	17	42.7 Å²	42.7	14%	0.14	20%	0.196	C	C	.	.	S	Bend	trans	-62.8	140.9	173.2	0	0	0	0	0	110.1	G39 R90 Y91 T92	G39-A88 VanDerWaalsContact O-CB 3.27Å; G39-A88 WeakPolarHBondContact O-CB 3.37Å; G39-A88 PolarHBondContact O-N 3.45Å; A88-R90 VanDerWaalsContact C-N 3.26Å; A88-R90 PolarHBondContact O-N 3.02Å; A88-Y91 HydrophobicContact CB-CD2 3.67Å; A88-Y91 HydrophobicContact CB-CE2 4.04Å; A88-Y91 PolarHBondContact O-N 3.24Å; A88-T92 PolarHBondContact O-N 3.2Å; A88-T92 VanDerWaalsContact O-N 3.12Å; A88-T92 PolarHBondContact O-OG1 2.68Å
89	R	92.9	Very high	95.4	Very high	188 Å²	188	38.5 Å²	38.5	71%	0.709	18%	0.18	S	C	*	.	H	α-helix	trans	-45.3	-47	-174	-173.8	176.4	75	108.9	-8.9	113.8	Y91 T92 E93	R89-Y91 VanDerWaalsContact C-N 3.32Å; R89-Y91 PolarHBondContact O-N 3.13Å; R89-T92 PolarHBondContact O-N 3.49Å; R89-E93 WeakPolarHBondContact CD-OE1 2.81Å; R89-E93 HydrophobicContact CG-CG 4.36Å; R89-E93 VanDerWaalsContact CG-OE1 3.25Å; R89-E93 WeakPolarHBondContact CG-OE1 3.36Å; R89-E93 IonicContact CZ-OE1 2.76Å; R89-E93 IonicContact NE-OE1 4Å; R89-E93 IonicContact NH1-OE1 3.15Å; R89-E93 PolarHBondContact NH1-OE1 3.26Å; R89-E93 IonicContact NH1-OE2 3.96Å; R89-E93 WeakPolarHBondContact O-CG 3.45Å; R89-E93 PolarHBondContact O-N 2.82Å
90	R	92.2	Very high	95.4	Very high	138 Å²	138	40.5 Å²	40.5	52%	0.521	19%	0.193	S	C	.	.	H	α-helix	trans	-56.9	-42.1	178.7	66.6	-179.5	-179.6	-94.3	0.1	113.1	A88 T94	A88-R90 VanDerWaalsContact C-N 3.26Å; A88-R90 PolarHBondContact O-N 3.02Å; R90-T94 PolarHBondContact O-N 3.08Å; R90-T94 VanDerWaalsContact O-N 3.09Å; R90-T94 PolarHBondContact O-OG1 2.76Å; R90-T94 VanDerWaalsContact O-OG1 3.04Å
91	Y	92.6	Very high	95.4	Very high	20 Å²	20	40.6 Å²	40.6	8%	0.078	19%	0.193	C	C	.	.	H	α-helix	trans	-75.5	-35.4	-178.4	-57.2	-49.6	0	0	0	111.3	H64 F65 K86 A88 R89 A95	H64-Y91 PolarHBondContact CE1-OH 3.1Å; F65-Y91 AromaticContact CD1-CD1 3.72Å; F65-Y91 HydrophobicContact CD1-CD1 3.72Å; F65-Y91 AromaticContact CD1-CE1 3.39Å; F65-Y91 HydrophobicContact CD1-CE1 3.39Å; F65-Y91 HydrophobicContact CE1-CD1 4.31Å; F65-Y91 AromaticContact CE1-CE1 3.7Å; F65-Y91 HydrophobicContact CE1-CE1 3.7Å; K86-Y91 HydrophobicContact CB-CD2 3.47Å; K86-Y91 VanDerWaalsContact CB-CD2 3.47Å; K86-Y91 HydrophobicContact CB-CE2 4.01Å; K86-Y91 HydrophobicContact CB-CG 4.15Å; K86-Y91 HydrophobicContact CD-CD2 4.11Å; K86-Y91 HydrophobicContact CD-CE2 3.76Å; K86-Y91 HydrophobicContact CG-CD2 4.42Å; A88-Y91 HydrophobicContact CB-CD2 3.67Å; A88-Y91 HydrophobicContact CB-CE2 4.04Å; A88-Y91 PolarHBondContact O-N 3.24Å; R89-Y91 VanDerWaalsContact C-N 3.32Å; R89-Y91 PolarHBondContact O-N 3.13Å; Y91-A95 WeakPolarHBondContact O-CB 3.49Å; Y91-A95 PolarHBondContact O-N 3.2Å
92	T	93	Very high	95.4	Very high	34 Å²	34	40 Å²	40	21%	0.209	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-41.5	173.1	-54.5	0	0	0	0	111.5	A88 R89 A95 Q96 M135	A88-T92 PolarHBondContact O-N 3.2Å; A88-T92 VanDerWaalsContact O-N 3.12Å; A88-T92 PolarHBondContact O-OG1 2.68Å; R89-T92 PolarHBondContact O-N 3.49Å; T92-A95 PolarHBondContact O-N 3.41Å; T92-Q96 PolarHBondContact O-N 3.15Å; T92-M135 HydrophobicContact CG2-CG 3.96Å; T92-M135 HydrophobicContact CG2-SD 3.55Å; T92-M135 VanDerWaalsContact CG2-SD 3.55Å
93	E	93.3	Very high	95.4	Very high	93 Å²	93	43 Å²	43	44%	0.435	20%	0.204	S	C	.	.	H	α-helix	trans	-62.2	-51.2	175.3	-73.3	168.5	-178.6	0	0	110.5	R89 A95 Q96 D97	R89-E93 WeakPolarHBondContact CD-OE1 2.81Å; R89-E93 HydrophobicContact CG-CG 4.36Å; R89-E93 VanDerWaalsContact CG-OE1 3.25Å; R89-E93 WeakPolarHBondContact CG-OE1 3.36Å; R89-E93 IonicContact CZ-OE1 2.76Å; R89-E93 IonicContact NE-OE1 4Å; R89-E93 IonicContact NH1-OE1 3.15Å; R89-E93 PolarHBondContact NH1-OE1 3.26Å; R89-E93 IonicContact NH1-OE2 3.96Å; R89-E93 WeakPolarHBondContact O-CG 3.45Å; R89-E93 PolarHBondContact O-N 2.82Å; E93-A95 VanDerWaalsContact C-N 3.34Å; E93-A95 PolarHBondContact O-N 3.09Å; E93-Q96 WeakPolarHBondContact O-CB 3.3Å; E93-Q96 PolarHBondContact O-N 3.09Å; E93-Q96 VanDerWaalsContact O-N 3.1Å; E93-D97 PolarHBondContact O-N 3.27Å; E93-D97 VanDerWaalsContact O-N 3.12Å
94	T	93.3	Very high	95.4	Very high	68 Å²	68	43.1 Å²	43.1	42%	0.417	21%	0.208	S	C	.	.	H	α-helix	trans	-60.4	-39.1	175.8	-53.3	0	0	0	0	113	R90 Q96 D97 E98	R90-T94 PolarHBondContact O-N 3.08Å; R90-T94 VanDerWaalsContact O-N 3.09Å; R90-T94 PolarHBondContact O-OG1 2.76Å; R90-T94 VanDerWaalsContact O-OG1 3.04Å; T94-Q96 VanDerWaalsContact C-N 3.29Å; T94-Q96 PolarHBondContact O-N 3.48Å; T94-D97 PolarHBondContact O-N 3.48Å; T94-E98 PolarHBondContact O-N 3.41Å
95	A	95.6	Very high	95.5	Very high	2 Å²	2	43.3 Å²	43.3	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-30.8	176.9	0	0	0	0	0	112.7	V85 Y91 T92 E93 I99 M135	V85-A95 HydrophobicContact CB-CB 4.27Å; V85-A95 HydrophobicContact CG1-CB 4.1Å; V85-A95 HydrophobicContact CG2-CB 3.92Å; Y91-A95 WeakPolarHBondContact O-CB 3.49Å; Y91-A95 PolarHBondContact O-N 3.2Å; T92-A95 PolarHBondContact O-N 3.41Å; E93-A95 VanDerWaalsContact C-N 3.34Å; E93-A95 PolarHBondContact O-N 3.09Å; A95-I99 WeakPolarHBondContact O-CD1 3.37Å; A95-I99 VanDerWaalsContact O-CG1 3.27Å; A95-I99 WeakPolarHBondContact O-CG1 3.43Å; A95-I99 PolarHBondContact O-N 3.48Å; A95-M135 HydrophobicContact CB-CB 4.23Å; A95-M135 HydrophobicContact CB-SD 3.79Å
96	Q	96	Very high	95.4	Very high	77 Å²	77	47.4 Å²	47.4	36%	0.36	22%	0.224	S	C	.	.	H	α-helix	trans	-69.2	-43.2	173.4	-173.5	61.1	63	0	0	111	T92 E93 T94 E98 I99 D100 M135	T92-Q96 PolarHBondContact O-N 3.15Å; E93-Q96 WeakPolarHBondContact O-CB 3.3Å; E93-Q96 PolarHBondContact O-N 3.09Å; E93-Q96 VanDerWaalsContact O-N 3.1Å; T94-Q96 VanDerWaalsContact C-N 3.29Å; T94-Q96 PolarHBondContact O-N 3.48Å; Q96-E98 VanDerWaalsContact C-N 3.34Å; Q96-E98 PolarHBondContact O-N 3.27Å; Q96-I99 PolarHBondContact O-N 2.78Å; Q96-D100 PolarHBondContact NE2-OD1 3.04Å; Q96-D100 VanDerWaalsContact O-CG 3.31Å; Q96-D100 PolarHBondContact O-N 3.03Å; Q96-M135 HydrophobicContact CB-CE 4.1Å; Q96-M135 HydrophobicContact CB-SD 4.39Å
97	D	95.2	Very high	95.4	Very high	52 Å²	52	53.2 Å²	53.2	28%	0.278	25%	0.251	S	S	.	.	H	α-helix	trans	-60.2	-43.1	173.7	-70.5	-44.9	0	0	0	111.3	E93 T94 I99 D100 L101 F276	E93-D97 PolarHBondContact O-N 3.27Å; E93-D97 VanDerWaalsContact O-N 3.12Å; T94-D97 PolarHBondContact O-N 3.48Å; D97-I99 VanDerWaalsContact C-N 3.35Å; D97-I99 PolarHBondContact O-N 3.27Å; D97-D100 PolarHBondContact O-N 3.45Å; D97-L101 WeakPolarHBondContact O-CG 3.41Å; D97-L101 PolarHBondContact O-N 3.49Å; D97-F276 HydrophobicContact CB-CE2 4.34Å; D97-F276 HydrophobicContact CB-CZ 3.95Å
98	E	97.2	Very high	95.5	Very high	12 Å²	12	54.8 Å²	54.8	6%	0.056	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-43.2	174.8	-172.6	-176.9	172.6	0	0	111.5	K83 T94 Q96 L101 L102 M137 L266	K83-E98 VanDerWaalsContact NZ-CD 3.34Å; K83-E98 IonicContact NZ-OE1 3.47Å; K83-E98 PolarHBondContact NZ-OE1 2.94Å; K83-E98 IonicContact NZ-OE2 2.68Å; K83-E98 PolarHBondContact NZ-OE2 3.09Å; K83-E98 VanDerWaalsContact NZ-OE2 3.09Å; T94-E98 PolarHBondContact O-N 3.41Å; Q96-E98 VanDerWaalsContact C-N 3.34Å; Q96-E98 PolarHBondContact O-N 3.27Å; E98-L101 PolarHBondContact O-N 3.22Å; E98-L102 HydrophobicContact CG-CD1 3.93Å; E98-L102 WeakPolarHBondContact O-CB 3.23Å; E98-L102 WeakPolarHBondContact O-CD1 3.5Å; E98-L102 VanDerWaalsContact O-CG 3.28Å; E98-L102 WeakPolarHBondContact O-CG 3.2Å; E98-L102 PolarHBondContact O-N 2.96Å; E98-M137 HydrophobicContact CG-SD 4.32Å; E98-L266 HydrophobicContact CG-CB 4.41Å
99	I	97.5	Very high	95.7	Very high	6 Å²	6	56 Å²	56	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-43.7	176.7	-75.7	164.7	0	0	0	111.5	A95 Q96 D97 L101 L102 L103 L121 T124 M135 M137	A95-I99 WeakPolarHBondContact O-CD1 3.37Å; A95-I99 VanDerWaalsContact O-CG1 3.27Å; A95-I99 WeakPolarHBondContact O-CG1 3.43Å; A95-I99 PolarHBondContact O-N 3.48Å; Q96-I99 PolarHBondContact O-N 2.78Å; D97-I99 VanDerWaalsContact C-N 3.35Å; D97-I99 PolarHBondContact O-N 3.27Å; I99-L101 VanDerWaalsContact C-N 3.32Å; I99-L101 PolarHBondContact O-N 2.6Å; I99-L102 PolarHBondContact O-N 2.78Å; I99-L103 HydrophobicContact CG2-CD1 3.79Å; I99-L103 HydrophobicContact CG2-CG 4.2Å; I99-L103 WeakPolarHBondContact O-CB 3.44Å; I99-L103 VanDerWaalsContact O-CG 3.28Å; I99-L103 WeakPolarHBondContact O-CG 3.48Å; I99-L103 PolarHBondContact O-N 3.4Å; I99-L121 HydrophobicContact CG2-CD2 4.35Å; I99-T124 HydrophobicContact CD1-CG2 3.93Å; I99-T124 HydrophobicContact CG1-CG2 3.95Å; I99-T124 HydrophobicContact CG2-CG2 4.08Å; I99-M135 HydrophobicContact CD1-CE 3.4Å; I99-M135 VanDerWaalsContact CD1-CE 3.4Å; I99-M137 HydrophobicContact CD1-CG 3.87Å; I99-M137 HydrophobicContact CD1-SD 4.32Å; I99-M137 HydrophobicContact CG1-CG 3.68Å; I99-M137 HydrophobicContact CG1-SD 3.71Å
100	D	97.4	Very high	95.7	Very high	72 Å²	72	50.1 Å²	50.1	39%	0.385	26%	0.258	S	S	.	.	H	α-helix	trans	-63.8	-40.2	-179.3	-68.5	-8.7	0	0	0	111	Q96 D97 C104	Q96-D100 PolarHBondContact NE2-OD1 3.04Å; Q96-D100 VanDerWaalsContact O-CG 3.31Å; Q96-D100 PolarHBondContact O-N 3.03Å; D97-D100 PolarHBondContact O-N 3.45Å; D100-C104 PolarHBondContact O-N 3.11Å; D100-C104 VanDerWaalsContact O-N 3.08Å
101	L	97.9	Very high	95.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-49.6	172.9	-70.8	163.2	0	0	0	111.6	D97 E98 I99 L103 C104 V105 I183 L266 A269 W271 F276	D97-L101 WeakPolarHBondContact O-CG 3.41Å; D97-L101 PolarHBondContact O-N 3.49Å; E98-L101 PolarHBondContact O-N 3.22Å; I99-L101 VanDerWaalsContact C-N 3.32Å; I99-L101 PolarHBondContact O-N 2.6Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 3.25Å; L101-C104 WeakPolarHBondContact O-CB 3.37Å; L101-C104 PolarHBondContact O-N 3.29Å; L101-C104 VanDerWaalsContact O-N 3.11Å; L101-V105 WeakPolarHBondContact O-CG2 3.25Å; L101-V105 PolarHBondContact O-N 2.95Å; L101-I183 HydrophobicContact CB-CD1 4.19Å; L101-I183 HydrophobicContact CD2-CD1 3.66Å; L101-I183 HydrophobicContact CD2-CG1 3.72Å; L101-I183 HydrophobicContact CD2-CG2 4.22Å; L101-L266 HydrophobicContact CB-CD2 4.28Å; L101-A269 HydrophobicContact CD1-CB 4.01Å; L101-A269 WeakPolarHBondContact CD1-O 3.48Å; L101-W271 HydrophobicContact CD2-CD2 3.81Å; L101-W271 VanDerWaalsContact CD2-CE2 3.49Å; L101-W271 HydrophobicContact CD2-CE3 4.18Å; L101-W271 HydrophobicContact CD2-CG 4.35Å; L101-W271 HydrophobicContact CD2-CH2 4.04Å; L101-W271 HydrophobicContact CD2-CZ2 3.64Å; L101-W271 HydrophobicContact CD2-CZ3 4.28Å; L101-W271 HydrophobicContact CG-CZ2 4.13Å; L101-F276 HydrophobicContact CD1-CE2 4.39Å
102	L	98	Very high	96.1	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-36.6	179.3	-76.3	165.8	0	0	0	113.1	E98 I99 C104 V105 R106 I119 L121 M137 F139 L266	E98-L102 HydrophobicContact CG-CD1 3.93Å; E98-L102 WeakPolarHBondContact O-CB 3.23Å; E98-L102 WeakPolarHBondContact O-CD1 3.5Å; E98-L102 VanDerWaalsContact O-CG 3.28Å; E98-L102 WeakPolarHBondContact O-CG 3.2Å; E98-L102 PolarHBondContact O-N 2.96Å; I99-L102 PolarHBondContact O-N 2.78Å; L102-C104 VanDerWaalsContact C-N 3.32Å; L102-V105 PolarHBondContact O-N 3.25Å; L102-R106 PolarHBondContact O-N 3.43Å; L102-I119 HydrophobicContact CD2-CG2 4.09Å; L102-L121 HydrophobicContact CB-CB 3.87Å; L102-L121 HydrophobicContact CB-CD2 3.68Å; L102-L121 HydrophobicContact CB-CG 4.37Å; L102-L121 HydrophobicContact CD1-CB 4.34Å; L102-L121 HydrophobicContact CD1-CD1 4.39Å; L102-L121 HydrophobicContact CD1-CD2 4.24Å; L102-L121 HydrophobicContact CG-CB 4.5Å; L102-M137 HydrophobicContact CD1-SD 4.12Å; L102-F139 HydrophobicContact CD1-CE1 3.66Å; L102-F139 HydrophobicContact CD1-CZ 3.73Å; L102-F139 HydrophobicContact CD2-CE1 4.17Å; L102-L266 HydrophobicContact CD2-CD1 4.39Å; L102-L266 HydrophobicContact CD2-CD2 4.18Å; L102-L266 HydrophobicContact CG-CD2 4.48Å
103	L	97.3	Very high	96.3	Very high	61 Å²	61	53.9 Å²	53.9	32%	0.319	29%	0.293	S	S	.	.	H	α-helix	trans	-66.8	-35.4	173.5	-74	175.2	0	0	0	111.5	I99 L101 R106 H107 L121	I99-L103 HydrophobicContact CG2-CD1 3.79Å; I99-L103 HydrophobicContact CG2-CG 4.2Å; I99-L103 WeakPolarHBondContact O-CB 3.44Å; I99-L103 VanDerWaalsContact O-CG 3.28Å; I99-L103 WeakPolarHBondContact O-CG 3.48Å; I99-L103 PolarHBondContact O-N 3.4Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 3.25Å; L103-R106 WeakPolarHBondContact O-CB 3.44Å; L103-R106 PolarHBondContact O-N 3.47Å; L103-H107 PolarHBondContact O-N 3.38Å; L103-H107 VanDerWaalsContact O-N 3.15Å; L103-L121 HydrophobicContact CD2-CD2 4.15Å; L103-L121 HydrophobicContact CG-CD2 4.14Å
104	C	97.5	Very high	96.5	Very high	32 Å²	32	52.3 Å²	52.3	22%	0.216	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-47.5	172.5	-173.1	0	0	0	0	111.5	D100 L101 L102 R106 H107 S108 W271	D100-C104 PolarHBondContact O-N 3.11Å; D100-C104 VanDerWaalsContact O-N 3.08Å; L101-C104 WeakPolarHBondContact O-CB 3.37Å; L101-C104 PolarHBondContact O-N 3.29Å; L101-C104 VanDerWaalsContact O-N 3.11Å; L102-C104 VanDerWaalsContact C-N 3.32Å; C104-R106 PolarHBondContact O-N 3.16Å; C104-R106 VanDerWaalsContact O-N 3.13Å; C104-H107 PolarHBondContact O-N 2.99Å; C104-S108 PolarHBondContact O-N 3.47Å; C104-S108 PolarHBondContact O-OG 2.69Å; C104-S108 PolarHBondContact SG-OG 3.03Å; C104-W271 HydrophobicContact CB-CH2 3.47Å; C104-W271 VanDerWaalsContact CB-CH2 3.47Å; C104-W271 HydrophobicContact CB-CZ3 3.88Å; C104-W271 VanDerWaalsContact SG-CZ3 3.58Å
105	V	97.8	Very high	96.7	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.024	27%	0.274	C	S	.	.	H	α-helix	trans	-51.7	-38.9	172	176	0	0	0	0	111.9	L101 L102 V118 Y176 L177 I183 L266	L101-V105 WeakPolarHBondContact O-CG2 3.25Å; L101-V105 PolarHBondContact O-N 2.95Å; L102-V105 PolarHBondContact O-N 3.25Å; V105-V118 HydrophobicContact CG1-CB 3.92Å; V105-V118 HydrophobicContact CG1-CG1 3.76Å; V105-V118 HydrophobicContact CG2-CG1 4.5Å; V105-Y176 HydrophobicContact CG1-CD1 4.48Å; V105-Y176 HydrophobicContact CG1-CE1 4.02Å; V105-Y176 WeakPolarHBondContact O-CE1 3.44Å; V105-Y176 PolarHBondContact O-OH 3.45Å; V105-Y176 VanDerWaalsContact O-OH 3.07Å; V105-L177 HydrophobicContact CG2-CD2 3.52Å; V105-I183 HydrophobicContact CG2-CD1 3.88Å; V105-L266 HydrophobicContact CG2-CD2 3.92Å
106	R	95.6	Very high	96.7	Very high	94 Å²	94	55.2 Å²	55.2	36%	0.355	29%	0.294	S	S	.	.	H	α-helix	trans	-68.6	-33.1	178.3	-170.5	-179.8	169.7	156.8	-9.2	113.4	L102 L103 C104 R115 L121 L122	L102-R106 PolarHBondContact O-N 3.43Å; L103-R106 WeakPolarHBondContact O-CB 3.44Å; L103-R106 PolarHBondContact O-N 3.47Å; C104-R106 PolarHBondContact O-N 3.16Å; C104-R106 VanDerWaalsContact O-N 3.13Å; R106-R115 PolarHBondContact O-NE 3.31Å; R106-L121 PolarHBondContact NH1-O 2.99Å; R106-L122 PolarHBondContact NH1-O 3.17Å
107	H	95.7	Very high	96.9	Very high	131 Å²	131	54.3 Å²	54.3	61%	0.606	29%	0.288	S	S	*	.	H	α-helix	trans	-112.2	-16.5	-165.8	-64	167.7	0	0	0	115.3	L103 C104 D109	L103-H107 PolarHBondContact O-N 3.38Å; L103-H107 VanDerWaalsContact O-N 3.15Å; C104-H107 PolarHBondContact O-N 2.99Å; H107-D109 PolarHBondContact O-N 3.19Å
108	S	96.4	Very high	97	Very high	46 Å²	46	51.9 Å²	51.9	32%	0.322	27%	0.274	S	S	.	.	S	Bend	trans	-57.9	-48.3	-175.2	-63	0	0	0	0	113.5	C104 C181	C104-S108 PolarHBondContact O-N 3.47Å; C104-S108 PolarHBondContact O-OG 2.69Å; C104-S108 PolarHBondContact SG-OG 3.03Å; S108-C181 WeakPolarHBondContact OG-CA 3.37Å; S108-C181 PolarHBondContact OG-SG 3.06Å
109	D	96.4	Very high	97	Very high	44 Å²	44	52.1 Å²	52.1	24%	0.235	28%	0.276	C	S	.	.			trans	-155.6	100.5	174.8	-172.3	-12	0	0	0	108.8	H107 N111 D112 Y176 K180	H107-D109 PolarHBondContact O-N 3.19Å; D109-N111 PolarHBondContact O-N 2.98Å; D109-N111 PolarHBondContact OD1-N 3.29Å; D109-N111 VanDerWaalsContact OD1-N 3.15Å; D109-D112 HydrophobicContact CB-CB 4.31Å; D109-D112 PolarHBondContact OD1-N 2.75Å; D109-Y176 HydrophobicContact CB-CE2 4.11Å; D109-Y176 PolarHBondContact N-OH 3.16Å; D109-Y176 VanDerWaalsContact N-OH 3.16Å; D109-Y176 WeakPolarHBondContact O-CE2 3.45Å; D109-Y176 PolarHBondContact O-OH 2.96Å; D109-K180 HydrophobicContact CB-CB 4.48Å; D109-K180 HydrophobicContact CB-CD 4.16Å; D109-K180 HydrophobicContact CB-CG 4.32Å; D109-K180 IonicContact OD2-NZ 2.59Å; D109-K180 PolarHBondContact OD2-NZ 3.03Å
110	A	92.8	Very high	97	Very high	64 Å²	64	53 Å²	53	53%	0.529	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-12.9	-176.1	0	0	0	0	0	113.4
111	N	96.1	Very high	97	Very high	150 Å²	150	49.8 Å²	49.8	80%	0.802	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-12.1	-177.2	-62	-46	0	0	0	112.8	D109 P113	D109-N111 PolarHBondContact O-N 2.98Å; D109-N111 PolarHBondContact OD1-N 3.29Å; D109-N111 VanDerWaalsContact OD1-N 3.15Å; N111-P113 WeakPolarHBondContact O-CD 3.41Å
112	D	97.5	Very high	97	Very high	22 Å²	22	51.5 Å²	51.5	12%	0.118	27%	0.274	C	S	.	.			trans	-76.8	115.7	176.4	-165.7	-32.8	0	0	0	109.9	D109 K114 R115 Y176 K180	D109-D112 HydrophobicContact CB-CB 4.31Å; D109-D112 PolarHBondContact OD1-N 2.75Å; D112-K114 PolarHBondContact O-N 3.16Å; D112-K114 VanDerWaalsContact O-N 3.16Å; D112-K114 VanDerWaalsContact OD1-CB 3.26Å; D112-K114 WeakPolarHBondContact OD1-CB 2.97Å; D112-K114 WeakPolarHBondContact OD1-CG 3.37Å; D112-K114 PolarHBondContact OD1-N 3.2Å; D112-R115 WeakPolarHBondContact O-CB 3.46Å; D112-R115 PolarHBondContact O-N 3.36Å; D112-R115 VanDerWaalsContact O-N 3.1Å; D112-Y176 HydrophobicContact CB-CD2 3.94Å; D112-Y176 HydrophobicContact CB-CE2 3.78Å; D112-K180 VanDerWaalsContact OD2-CE 3.28Å; D112-K180 WeakPolarHBondContact OD2-CE 3.48Å; D112-K180 IonicContact OD2-NZ 3.99Å
113	P	97.3	Very high	96.9	Very high	99 Å²	99	53.4 Å²	53.4	64%	0.643	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-64.7	-19.4	-178.8	27.8	-36.1	0	0	0	113	N111 R115 D116	N111-P113 WeakPolarHBondContact O-CD 3.41Å; P113-R115 PolarHBondContact O-N 3.4Å; P113-D116 WeakPolarHBondContact O-CB 3.23Å; P113-D116 PolarHBondContact O-N 3.45Å; P113-D116 VanDerWaalsContact O-N 3.11Å
114	K	98	Very high	97	Very high	59 Å²	59	53.2 Å²	53.2	26%	0.257	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-65	-21.2	175.9	-64.3	177	-168.9	146.9	0	112.5	D112 D116 R117 E172 D175 Y176	D112-K114 PolarHBondContact O-N 3.16Å; D112-K114 VanDerWaalsContact O-N 3.16Å; D112-K114 VanDerWaalsContact OD1-CB 3.26Å; D112-K114 WeakPolarHBondContact OD1-CB 2.97Å; D112-K114 WeakPolarHBondContact OD1-CG 3.37Å; D112-K114 PolarHBondContact OD1-N 3.2Å; K114-D116 PolarHBondContact O-N 2.98Å; K114-R117 VanDerWaalsContact O-CB 3.3Å; K114-R117 WeakPolarHBondContact O-CB 3.48Å; K114-R117 PolarHBondContact O-N 2.76Å; K114-E172 HydrophobicContact CB-CB 4.4Å; K114-E172 WeakPolarHBondContact CB-O 3.43Å; K114-E172 HydrophobicContact CG-CB 4.04Å; K114-E172 HydrophobicContact CG-CG 4.31Å; K114-D175 HydrophobicContact CD-CB 4.25Å; K114-D175 WeakPolarHBondContact CE-OD2 3.42Å; K114-D175 IonicContact NZ-OD2 2.64Å; K114-D175 PolarHBondContact NZ-OD2 3.26Å; K114-Y176 HydrophobicContact CB-CD2 4.47Å
115	R	97.6	Very high	97	Very high	47 Å²	47	52.8 Å²	52.8	18%	0.177	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-53.4	-36.1	171.1	-177.2	-179.1	158.8	-130.5	-13.9	112	R106 D112 P113 R117 V118 Y176	R106-R115 PolarHBondContact O-NE 3.31Å; D112-R115 WeakPolarHBondContact O-CB 3.46Å; D112-R115 PolarHBondContact O-N 3.36Å; D112-R115 VanDerWaalsContact O-N 3.1Å; P113-R115 PolarHBondContact O-N 3.4Å; R115-R117 PolarHBondContact O-N 3.02Å; R115-R117 VanDerWaalsContact O-N 3.12Å; R115-V118 PolarHBondContact O-N 3Å; R115-Y176 HydrophobicContact CB-CD1 4.23Å; R115-Y176 HydrophobicContact CB-CD2 4.15Å; R115-Y176 HydrophobicContact CB-CE1 3.83Å; R115-Y176 HydrophobicContact CB-CE2 3.75Å; R115-Y176 HydrophobicContact CB-CG 4.37Å; R115-Y176 WeakPolarHBondContact CD-OH 3.4Å; R115-Y176 HydrophobicContact CG-CD1 4.45Å; R115-Y176 HydrophobicContact CG-CE1 3.73Å; R115-Y176 HydrophobicContact CG-CE2 4.35Å
116	D	96.6	Very high	96.9	Very high	85 Å²	85	58.8 Å²	58.8	46%	0.455	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-70.8	-5.6	-178.4	-66.8	-26.1	0	0	0	113.2	P113 K114 V118 K262	P113-D116 WeakPolarHBondContact O-CB 3.23Å; P113-D116 PolarHBondContact O-N 3.45Å; P113-D116 VanDerWaalsContact O-N 3.11Å; K114-D116 PolarHBondContact O-N 2.98Å; D116-V118 VanDerWaalsContact C-N 3.33Å; D116-K262 VanDerWaalsContact O-CD 3.23Å; D116-K262 WeakPolarHBondContact O-CD 3.3Å; D116-K262 WeakPolarHBondContact O-CE 3.22Å; D116-K262 WeakPolarHBondContact O-CG 3.4Å; D116-K262 PolarHBondContact O-NZ 2.98Å
117	R	98.3	Very high	96.9	Very high	58 Å²	58	55.6 Å²	55.6	22%	0.219	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-87.7	1.8	171.1	-54.6	-54.7	-173.2	-160.9	-6.4	113.7	K114 R115 Q169 E172 K262 I263	K114-R117 VanDerWaalsContact O-CB 3.3Å; K114-R117 WeakPolarHBondContact O-CB 3.48Å; K114-R117 PolarHBondContact O-N 2.76Å; R115-R117 PolarHBondContact O-N 3.02Å; R115-R117 VanDerWaalsContact O-N 3.12Å; R117-Q169 WeakPolarHBondContact CB-O 3.44Å; R117-E172 HydrophobicContact CB-CB 4.49Å; R117-E172 HydrophobicContact CG-CB 3.75Å; R117-E172 IonicContact CZ-OE2 2.87Å; R117-E172 IonicContact NE-OE2 3.34Å; R117-E172 PolarHBondContact NE-OE2 3.47Å; R117-E172 IonicContact NH2-OE2 3.4Å; R117-E172 PolarHBondContact NH2-OE2 3.03Å; R117-K262 CarbonylContact O-C 3.57Å; R117-K262 VanDerWaalsContact O-CA 3.31Å; R117-K262 WeakPolarHBondContact O-CA 3.2Å; R117-I263 PolarHBondContact O-N 3.06Å
118	V	98.3	Very high	96.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-118.7	141.8	172.6	-171.1	0	0	0	0	108.8	V105 R115 D116 S120 L177 L266	V105-V118 HydrophobicContact CG1-CB 3.92Å; V105-V118 HydrophobicContact CG1-CG1 3.76Å; V105-V118 HydrophobicContact CG2-CG1 4.5Å; R115-V118 PolarHBondContact O-N 3Å; D116-V118 VanDerWaalsContact C-N 3.33Å; V118-S120 PolarHBondContact O-N 2.81Å; V118-L177 HydrophobicContact CG1-CD2 4.3Å; V118-L177 HydrophobicContact CG2-CD1 4.28Å; V118-L177 HydrophobicContact CG2-CD2 4.14Å; V118-L177 HydrophobicContact CG2-CG 3.99Å; V118-L266 HydrophobicContact CG1-CD1 4.29Å
119	I	97.8	Very high	96.4	Very high	17 Å²	17	58.9 Å²	58.9	9%	0.087	30%	0.304	C	S	.	.			trans	-56.5	133.6	-179.5	-167.2	172.9	0	0	0	111.9	L102 F139 E140 L142 I263 A264	L102-I119 HydrophobicContact CD2-CG2 4.09Å; I119-F139 HydrophobicContact CD1-CB 3.98Å; I119-F139 HydrophobicContact CD1-CD1 3.77Å; I119-F139 HydrophobicContact CD1-CE1 4.4Å; I119-F139 HydrophobicContact CD1-CG 3.9Å; I119-F139 HydrophobicContact CG1-CB 4.26Å; I119-F139 HydrophobicContact CG1-CD1 3.81Å; I119-F139 HydrophobicContact CG1-CG 4.3Å; I119-E140 HydrophobicContact CG1-CG 4.46Å; I119-L142 HydrophobicContact CB-CD1 4.43Å; I119-L142 HydrophobicContact CD1-CD1 3.99Å; I119-L142 HydrophobicContact CG1-CD1 3.95Å; I119-I263 PolarHBondContact N-O 3.38Å; I119-A264 HydrophobicContact CB-CB 4.37Å; I119-A264 HydrophobicContact CD1-CB 4.24Å; I119-A264 HydrophobicContact CG2-CB 4.35Å
120	S	96.6	Very high	95.7	Very high	24 Å²	24	65.1 Å²	65.1	17%	0.168	33%	0.332	C	S	.	.			trans	-91.1	119	-178.9	-74.6	0	0	0	0	113.4	V118 L122 F139 E140	V118-S120 PolarHBondContact O-N 2.81Å; S120-L122 PolarHBondContact O-N 3.47Å; S120-F139 WeakPolarHBondContact O-CA 3.39Å; S120-F139 WeakPolarHBondContact O-CD1 3.49Å; S120-E140 WeakPolarHBondContact CB-OE1 3.04Å; S120-E140 PolarHBondContact N-OE1 2.68Å; S120-E140 VanDerWaalsContact N-OE1 3.07Å
121	L	97.7	Very high	95.1	Very high	5 Å²	5	63.7 Å²	63.7	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	112.9	166.8	-177.9	67	0	0	0	110.6	I99 L102 L103 R106 T124 M137 F139	I99-L121 HydrophobicContact CG2-CD2 4.35Å; L102-L121 HydrophobicContact CB-CB 3.87Å; L102-L121 HydrophobicContact CB-CD2 3.68Å; L102-L121 HydrophobicContact CB-CG 4.37Å; L102-L121 HydrophobicContact CD1-CB 4.34Å; L102-L121 HydrophobicContact CD1-CD1 4.39Å; L102-L121 HydrophobicContact CD1-CD2 4.24Å; L102-L121 HydrophobicContact CG-CB 4.5Å; L103-L121 HydrophobicContact CD2-CD2 4.15Å; L103-L121 HydrophobicContact CG-CD2 4.14Å; R106-L121 PolarHBondContact NH1-O 2.99Å; L121-T124 HydrophobicContact CD1-CG2 3.82Å; L121-T124 HydrophobicContact CD2-CG2 3.7Å; L121-T124 HydrophobicContact CG-CG2 4.07Å; L121-M137 HydrophobicContact CD1-CB 3.77Å; L121-M137 HydrophobicContact CD1-CG 4.11Å; L121-F139 HydrophobicContact CB-CD1 4.44Å; L121-F139 HydrophobicContact CB-CE1 4.1Å; L121-F139 HydrophobicContact CD1-CD1 4.29Å; L121-F139 HydrophobicContact CD1-CE1 3.77Å; L121-F139 HydrophobicContact CD1-CZ 3.95Å
122	L	96.9	Very high	94.9	Very high	37 Å²	37	57.8 Å²	57.8	19%	0.194	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-43.1	-175.1	-55.5	178.9	0	0	0	112.2	V80 R106 S120 V138 F139	V80-L122 HydrophobicContact CG1-CD1 3.85Å; R106-L122 PolarHBondContact NH1-O 3.17Å; S120-L122 PolarHBondContact O-N 3.47Å; L122-V138 WeakPolarHBondContact CA-O 3.18Å; L122-V138 HydrophobicContact CB-CG1 4.37Å; L122-V138 WeakPolarHBondContact CB-O 3.45Å; L122-V138 HydrophobicContact CD1-CG1 4.48Å; L122-V138 PolarHBondContact N-O 2.75Å; L122-F139 WeakPolarHBondContact CD1-O 3.42Å
123	D	97.7	Very high	94.7	Very high	43 Å²	43	59.8 Å²	59.8	23%	0.23	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	158.7	-175.3	-165.5	14.2	0	0	0	111	R53 Y54 V138	R53-D123 IonicContact NH1-OD2 2.66Å; R53-D123 PolarHBondContact NH1-OD2 3.44Å; Y54-D123 WeakPolarHBondContact CE2-OD2 3.3Å; Y54-D123 WeakPolarHBondContact OH-CB 3.32Å; Y54-D123 VanDerWaalsContact OH-CG 3.29Å; Y54-D123 PolarHBondContact OH-OD2 3.1Å; D123-V138 HydrophobicContact CB-CB 3.96Å; D123-V138 HydrophobicContact CB-CG2 4.07Å; D123-V138 PolarHBondContact N-O 3.35Å; D123-V138 PolarHBondContact O-N 3.3Å
124	T	97.5	Very high	94.6	Very high	56 Å²	56	55.1 Å²	55.1	34%	0.344	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144	173.5	62.7	0	0	0	0	110.7	I99 L121 C136 M137	I99-T124 HydrophobicContact CD1-CG2 3.93Å; I99-T124 HydrophobicContact CG1-CG2 3.95Å; I99-T124 HydrophobicContact CG2-CG2 4.08Å; L121-T124 HydrophobicContact CD1-CG2 3.82Å; L121-T124 HydrophobicContact CD2-CG2 3.7Å; L121-T124 HydrophobicContact CG-CG2 4.07Å; T124-C136 WeakPolarHBondContact CA-O 3.46Å; T124-M137 HydrophobicContact CG2-CG 4.37Å
125	F	97.5	Very high	94.5	Very high	23 Å²	23	52.7 Å²	52.7	10%	0.101	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	173.8	174.9	57.2	-90.1	0	0	0	111	L50 N51 Y54 I127 C136 V138	L50-F125 HydrophobicContact CB-CE2 4.01Å; L50-F125 HydrophobicContact CB-CZ 3.86Å; N51-F125 HydrophobicContact CB-CB 4.5Å; N51-F125 HydrophobicContact CB-CD1 3.97Å; N51-F125 HydrophobicContact CB-CD2 3.65Å; N51-F125 HydrophobicContact CB-CE1 4.03Å; N51-F125 HydrophobicContact CB-CE2 3.7Å; N51-F125 HydrophobicContact CB-CG 3.78Å; N51-F125 HydrophobicContact CB-CZ 3.89Å; Y54-F125 HydrophobicContact CD2-CD1 4.45Å; Y54-F125 AromaticContact CD2-CE1 3.49Å; Y54-F125 HydrophobicContact CD2-CE1 3.49Å; Y54-F125 VanDerWaalsContact CD2-CE1 3.49Å; Y54-F125 AromaticContact CD2-CZ 3.8Å; Y54-F125 HydrophobicContact CD2-CZ 3.8Å; Y54-F125 HydrophobicContact CE2-CD1 4.05Å; Y54-F125 AromaticContact CE2-CE1 3.41Å; Y54-F125 HydrophobicContact CE2-CE1 3.41Å; Y54-F125 VanDerWaalsContact CE2-CE1 3.41Å; Y54-F125 HydrophobicContact CE2-CZ 4.2Å; F125-I127 HydrophobicContact CD2-CG1 4Å; F125-I127 HydrophobicContact CE2-CD1 3.94Å; F125-I127 HydrophobicContact CE2-CG1 3.58Å; F125-C136 HydrophobicContact CD1-CB 4.41Å; F125-C136 HydrophobicContact CD2-CB 3.84Å; F125-C136 HydrophobicContact CE1-CB 4.14Å; F125-C136 HydrophobicContact CE2-CB 3.54Å; F125-C136 HydrophobicContact CG-CB 4.27Å; F125-C136 HydrophobicContact CZ-CB 3.71Å; F125-C136 WeakPolarHBondContact CZ-SG 3.19Å; F125-C136 PolarHBondContact N-O 3.06Å; F125-C136 PolarHBondContact O-N 3.48Å; F125-V138 HydrophobicContact CD1-CG2 4.33Å; F125-V138 HydrophobicContact CE1-CG2 3.6Å
126	K	96.8	Very high	94.6	Very high	130 Å²	130	50.4 Å²	50.4	57%	0.565	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	138.6	174.6	-66	-178	-180	-178.6	0	110.7	D133 H134	K126-D133 HydrophobicContact CD-CB 4.49Å; K126-H134 CarbonylContact C-O 3.53Å; K126-H134 VanDerWaalsContact CA-O 3.29Å; K126-H134 WeakPolarHBondContact CA-O 3.23Å
127	I	95	Very high	94.6	Very high	27 Å²	27	46.4 Å²	46.4	14%	0.138	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.6	171.3	-58.1	167.5	0	0	0	107.3	L50 I84 F125 A129 H134 C136	L50-I127 HydrophobicContact CD1-CD1 4.28Å; L50-I127 HydrophobicContact CD2-CD1 4.09Å; I84-I127 HydrophobicContact CD1-CD1 3.87Å; I84-I127 HydrophobicContact CG1-CD1 4.06Å; I84-I127 HydrophobicContact CG2-CD1 4.2Å; F125-I127 HydrophobicContact CD2-CG1 4Å; F125-I127 HydrophobicContact CE2-CD1 3.94Å; F125-I127 HydrophobicContact CE2-CG1 3.58Å; I127-A129 HydrophobicContact CG2-CB 4.4Å; I127-A129 PolarHBondContact O-N 3.34Å; I127-H134 HydrophobicContact CB-CB 4.39Å; I127-H134 PolarHBondContact N-O 3.19Å; I127-H134 PolarHBondContact O-N 3.08Å; I127-C136 HydrophobicContact CD1-CB 4.06Å; I127-C136 HydrophobicContact CG1-CB 4.33Å
128	R	93.3	Very high	94.6	Very high	209 Å²	209	43.6 Å²	43.6	79%	0.789	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	112.1	171.4	-178.7	168.8	-75.4	175.1	-3.3	109	D133	R128-D133 IonicContact CZ-OD1 2.75Å; R128-D133 IonicContact NE-OD1 3.8Å; R128-D133 PolarHBondContact NE-OD1 3.3Å; R128-D133 VanDerWaalsContact NE-OD1 3.15Å; R128-D133 IonicContact NH2-OD1 2.7Å; R128-D133 IonicContact NH2-OD2 3.15Å
129	A	88.8	Confident	94.6	Very high	37 Å²	37	44.1 Å²	44.1	31%	0.306	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	-177.6	-179.5	0	0	0	0	0	111.2	I127 G131 G132	I127-A129 HydrophobicContact CG2-CB 4.4Å; I127-A129 PolarHBondContact O-N 3.34Å; A129-G131 PolarHBondContact O-N 2.97Å; A129-G132 PolarHBondContact N-O 3.25Å; A129-G132 PolarHBondContact O-N 3.13Å
130	Q	82.5	Confident	94.6	Very high	175 Å²	175	45.6 Å²	45.6	82%	0.818	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	125.8	173.2	-174	177	8.6	0	0	109.7
131	G	80.2	Confident	94.6	Very high	35 Å²	35	45.4 Å²	45.4	36%	0.361	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.7	-20.9	178.1	0	0	0	0	0	114.8	C87 A129	C87-G131 PolarHBondContact SG-O 3.16Å; C87-G131 VanDerWaalsContact SG-O 3.36Å; A129-G131 PolarHBondContact O-N 2.97Å
132	G	90.4	Very high	94.4	Very high	26 Å²	26	45.8 Å²	45.8	27%	0.268	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	151.8	-171.3	175.6	0	0	0	0	0	114	A129 H134	A129-G132 PolarHBondContact N-O 3.25Å; A129-G132 PolarHBondContact O-N 3.13Å; G132-H134 PolarHBondContact O-CD2 3.36Å
133	D	93.6	Very high	94.2	Very high	64 Å²	64	44.8 Å²	44.8	34%	0.342	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.4	170.3	-67.3	-17.7	0	0	0	108.6	K126 R128	K126-D133 HydrophobicContact CD-CB 4.49Å; R128-D133 IonicContact CZ-OD1 2.75Å; R128-D133 IonicContact NE-OD1 3.8Å; R128-D133 PolarHBondContact NE-OD1 3.3Å; R128-D133 VanDerWaalsContact NE-OD1 3.15Å; R128-D133 IonicContact NH2-OD1 2.7Å; R128-D133 IonicContact NH2-OD2 3.15Å
134	H	96	Very high	93.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133	177.3	-65.1	-99.4	0	0	0	110.2	G40 Y41 C42 I84 V85 C87 K126 I127 G132	G40-H134 PolarHBondContact O-CE1 3.34Å; G40-H134 VanDerWaalsContact O-CE1 3.23Å; Y41-H134 VanDerWaalsContact C-CE1 3.47Å; C42-H134 HydrophobicContact CB-CB 4.34Å; C42-H134 PolarHBondContact N-CE1 2.98Å; C42-H134 VanDerWaalsContact N-CE1 3.26Å; I84-H134 HydrophobicContact CG2-CB 3.98Å; V85-H134 PolarHBondContact O-ND1 3.03Å; C87-H134 VanDerWaalsContact CB-CE1 3.48Å; C87-H134 WeakPolarHBondContact CB-CE1 3.45Å; C87-H134 PolarHBondContact SG-CE1 3.11Å; C87-H134 PolarHBondContact SG-NE2 3.23Å; C87-H134 VanDerWaalsContact SG-NE2 3.41Å; K126-H134 CarbonylContact C-O 3.53Å; K126-H134 VanDerWaalsContact CA-O 3.29Å; K126-H134 WeakPolarHBondContact CA-O 3.23Å; I127-H134 HydrophobicContact CB-CB 4.39Å; I127-H134 PolarHBondContact N-O 3.19Å; I127-H134 PolarHBondContact O-N 3.08Å; G132-H134 PolarHBondContact O-CD2 3.36Å
135	M	96.6	Very high	93.8	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.039	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.7	172.5	-63.4	-174	79.5	0	0	109.9	V85 T92 A95 Q96 I99	V85-M135 PolarHBondContact N-O 3.32Å; T92-M135 HydrophobicContact CG2-CG 3.96Å; T92-M135 HydrophobicContact CG2-SD 3.55Å; T92-M135 VanDerWaalsContact CG2-SD 3.55Å; A95-M135 HydrophobicContact CB-CB 4.23Å; A95-M135 HydrophobicContact CB-SD 3.79Å; Q96-M135 HydrophobicContact CB-CE 4.1Å; Q96-M135 HydrophobicContact CB-SD 4.39Å; I99-M135 HydrophobicContact CD1-CE 3.4Å; I99-M135 VanDerWaalsContact CD1-CE 3.4Å
136	C	97.8	Very high	93.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.1	176.7	-172.7	0	0	0	0	109.9	K83 I84 T124 F125 I127	K83-C136 WeakPolarHBondContact O-CA 3.19Å; I84-C136 HydrophobicContact CG1-CB 4.4Å; T124-C136 WeakPolarHBondContact CA-O 3.46Å; F125-C136 HydrophobicContact CD1-CB 4.41Å; F125-C136 HydrophobicContact CD2-CB 3.84Å; F125-C136 HydrophobicContact CE1-CB 4.14Å; F125-C136 HydrophobicContact CE2-CB 3.54Å; F125-C136 HydrophobicContact CG-CB 4.27Å; F125-C136 HydrophobicContact CZ-CB 3.71Å; F125-C136 WeakPolarHBondContact CZ-SG 3.19Å; F125-C136 PolarHBondContact N-O 3.06Å; F125-C136 PolarHBondContact O-N 3.48Å; I127-C136 HydrophobicContact CD1-CB 4.06Å; I127-C136 HydrophobicContact CG1-CB 4.33Å
137	M	98.3	Very high	93.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.1	174	-66.8	171.7	-83.7	0	0	109.2	S82 K83 V85 E98 I99 L102 L121 T124 F139	S82-M137 CarbonylContact C-O 3.44Å; S82-M137 WeakPolarHBondContact CA-O 3.13Å; K83-M137 HydrophobicContact CB-CB 4.48Å; K83-M137 HydrophobicContact CD-CE 3.79Å; K83-M137 HydrophobicContact CG-CE 4.15Å; K83-M137 PolarHBondContact N-O 3.41Å; K83-M137 PolarHBondContact O-N 3.17Å; V85-M137 HydrophobicContact CG2-CE 3.64Å; E98-M137 HydrophobicContact CG-SD 4.32Å; I99-M137 HydrophobicContact CD1-CG 3.87Å; I99-M137 HydrophobicContact CD1-SD 4.32Å; I99-M137 HydrophobicContact CG1-CG 3.68Å; I99-M137 HydrophobicContact CG1-SD 3.71Å; L102-M137 HydrophobicContact CD1-SD 4.12Å; L121-M137 HydrophobicContact CD1-CB 3.77Å; L121-M137 HydrophobicContact CD1-CG 4.11Å; T124-M137 HydrophobicContact CG2-CG 4.37Å; M137-F139 HydrophobicContact CB-CD2 4.27Å; M137-F139 HydrophobicContact CB-CE2 3.37Å; M137-F139 HydrophobicContact CB-CZ 3.61Å; M137-F139 HydrophobicContact CG-CE2 4.47Å; M137-F139 HydrophobicContact CG-CZ 4.35Å; M137-F139 HydrophobicContact SD-CE2 4.42Å; M137-F139 HydrophobicContact SD-CZ 3.99Å
138	V	98.4	Very high	93.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127	-179.6	-174.5	0	0	0	0	109.4	Y54 V80 A81 L122 D123 F125	Y54-V138 HydrophobicContact CD1-CG1 4.41Å; Y54-V138 HydrophobicContact CD2-CG2 4.31Å; Y54-V138 HydrophobicContact CE1-CG1 3.85Å; Y54-V138 HydrophobicContact CE1-CG2 4.29Å; Y54-V138 HydrophobicContact CE2-CG2 3.86Å; V80-V138 HydrophobicContact CB-CG1 3.61Å; V80-V138 HydrophobicContact CG1-CG1 4.03Å; V80-V138 HydrophobicContact CG2-CG1 3.64Å; A81-V138 CarbonylContact O-C 3.49Å; A81-V138 WeakPolarHBondContact O-CA 3.3Å; L122-V138 WeakPolarHBondContact CA-O 3.18Å; L122-V138 HydrophobicContact CB-CG1 4.37Å; L122-V138 WeakPolarHBondContact CB-O 3.45Å; L122-V138 HydrophobicContact CD1-CG1 4.48Å; L122-V138 PolarHBondContact N-O 2.75Å; D123-V138 HydrophobicContact CB-CB 3.96Å; D123-V138 HydrophobicContact CB-CG2 4.07Å; D123-V138 PolarHBondContact N-O 3.35Å; D123-V138 PolarHBondContact O-N 3.3Å; F125-V138 HydrophobicContact CD1-CG2 4.33Å; F125-V138 HydrophobicContact CE1-CG2 3.6Å
139	F	98.1	Very high	93.7	Very high	11 Å²	11	29.8 Å²	29.8	5%	0.048	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	166.6	-176.6	-58.7	-82.1	0	0	0	111.6	V80 A81 K83 L102 I119 S120 L121 L122 M137	V80-F139 WeakPolarHBondContact CA-O 3.43Å; V80-F139 WeakPolarHBondContact CB-O 3.47Å; A81-F139 HydrophobicContact CB-CB 4.47Å; A81-F139 PolarHBondContact N-O 2.63Å; A81-F139 PolarHBondContact O-N 2.76Å; K83-F139 HydrophobicContact CB-CD2 4.32Å; K83-F139 HydrophobicContact CB-CE2 3.86Å; K83-F139 HydrophobicContact CD-CE2 4.21Å; L102-F139 HydrophobicContact CD1-CE1 3.66Å; L102-F139 HydrophobicContact CD1-CZ 3.73Å; L102-F139 HydrophobicContact CD2-CE1 4.17Å; I119-F139 HydrophobicContact CD1-CB 3.98Å; I119-F139 HydrophobicContact CD1-CD1 3.77Å; I119-F139 HydrophobicContact CD1-CE1 4.4Å; I119-F139 HydrophobicContact CD1-CG 3.9Å; I119-F139 HydrophobicContact CG1-CB 4.26Å; I119-F139 HydrophobicContact CG1-CD1 3.81Å; I119-F139 HydrophobicContact CG1-CG 4.3Å; S120-F139 WeakPolarHBondContact O-CA 3.39Å; S120-F139 WeakPolarHBondContact O-CD1 3.49Å; L121-F139 HydrophobicContact CB-CD1 4.44Å; L121-F139 HydrophobicContact CB-CE1 4.1Å; L121-F139 HydrophobicContact CD1-CD1 4.29Å; L121-F139 HydrophobicContact CD1-CE1 3.77Å; L121-F139 HydrophobicContact CD1-CZ 3.95Å; L122-F139 WeakPolarHBondContact CD1-O 3.42Å; M137-F139 HydrophobicContact CB-CD2 4.27Å; M137-F139 HydrophobicContact CB-CE2 3.37Å; M137-F139 HydrophobicContact CB-CZ 3.61Å; M137-F139 HydrophobicContact CG-CE2 4.47Å; M137-F139 HydrophobicContact CG-CZ 4.35Å; M137-F139 HydrophobicContact SD-CE2 4.42Å; M137-F139 HydrophobicContact SD-CZ 3.99Å
140	E	96.5	Very high	94	Very high	47 Å²	47	28 Å²	28	22%	0.22	16%	0.159	C	C	.	.			trans	-59.6	153	161.3	62.8	-171.3	127.4	0	0	111.2	I119 S120 L142 K262	I119-E140 HydrophobicContact CG1-CG 4.46Å; S120-E140 WeakPolarHBondContact CB-OE1 3.04Å; S120-E140 PolarHBondContact N-OE1 2.68Å; S120-E140 VanDerWaalsContact N-OE1 3.07Å; E140-L142 HydrophobicContact CG-CD1 4.46Å; E140-L142 HydrophobicContact CG-CD2 4.3Å; E140-L142 HydrophobicContact CG-CG 4.17Å; E140-L142 PolarHBondContact O-N 3.09Å; E140-K262 IonicContact OE1-NZ 3.48Å; E140-K262 PolarHBondContact OE1-NZ 2.95Å; E140-K262 WeakPolarHBondContact OE2-CE 3.25Å; E140-K262 IonicContact OE2-NZ 2.95Å; E140-K262 PolarHBondContact OE2-NZ 2.93Å
141	V	96.4	Very high	94.6	Very high	20 Å²	20	22.8 Å²	22.8	12%	0.121	14%	0.136	C	C	.	.			trans	-81.9	118.1	176.1	-177.2	0	0	0	0	109	L70 F79 V80 V202	L70-V141 HydrophobicContact CD1-CG1 4.23Å; L70-V141 HydrophobicContact CD1-CG2 3.7Å; F79-V141 HydrophobicContact CB-CG2 3.9Å; V80-V141 VanDerWaalsContact C-CG2 3.43Å; V141-V202 HydrophobicContact CB-CG1 4.3Å; V141-V202 HydrophobicContact CB-CG2 4.27Å; V141-V202 HydrophobicContact CG1-CG1 3.97Å; V141-V202 HydrophobicContact CG1-CG2 3.82Å; V141-V202 HydrophobicContact CG2-CG1 4.32Å
142	L	94.9	Very high	95.2	Very high	14 Å²	14	28 Å²	28	7%	0.073	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	171.1	170.6	-61	171.4	0	0	0	109.9	I119 E140 L194 C196 K262	I119-L142 HydrophobicContact CB-CD1 4.43Å; I119-L142 HydrophobicContact CD1-CD1 3.99Å; I119-L142 HydrophobicContact CG1-CD1 3.95Å; E140-L142 HydrophobicContact CG-CD1 4.46Å; E140-L142 HydrophobicContact CG-CD2 4.3Å; E140-L142 HydrophobicContact CG-CG 4.17Å; E140-L142 PolarHBondContact O-N 3.09Å; L142-L194 HydrophobicContact CB-CB 3.86Å; L142-L194 HydrophobicContact CB-CD1 3.97Å; L142-L194 HydrophobicContact CD1-CB 3.92Å; L142-L194 HydrophobicContact CD1-CD1 3.9Å; L142-L194 HydrophobicContact CD1-CG 4.49Å; L142-L194 HydrophobicContact CG-CB 4.47Å; L142-C196 HydrophobicContact CD2-CB 4.42Å; L142-K262 HydrophobicContact CD1-CB 4.2Å; L142-K262 HydrophobicContact CD1-CD 4.36Å; L142-K262 HydrophobicContact CD2-CD 4.15Å; L142-K262 HydrophobicContact CD2-CG 4.48Å
143	G	92.3	Very high	95.4	Very high	16 Å²	16	28 Å²	28	17%	0.165	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-149.4	-178.4	0	0	0	0	0	113.6	I195	G143-I195 WeakPolarHBondContact CA-O 3.09Å; G143-I195 PolarHBondContact N-O 3.33Å
144	D	92	Very high	95.5	Very high	38 Å²	38	31 Å²	31	20%	0.203	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	156.9	176.1	-64.4	-33	0	0	0	110.5	K148 R152 I195	D144-K148 HydrophobicContact CB-CB 4Å; D144-K148 HydrophobicContact CB-CD 3.77Å; D144-K148 HydrophobicContact CB-CG 4.29Å; D144-K148 IonicContact OD1-NZ 3.49Å; D144-R152 IonicContact OD2-CZ 3.48Å; D144-R152 IonicContact OD2-NH1 3.53Å; D144-R152 PolarHBondContact OD2-NH1 3.29Å; D144-R152 IonicContact OD2-NH2 2.78Å; D144-R152 PolarHBondContact OD2-NH2 3Å; D144-I195 WeakPolarHBondContact O-CG1 3.08Å; D144-I195 PolarHBondContact O-N 2.97Å
145	N	95.2	Very high	95.5	Very high	38 Å²	38	36 Å²	36	20%	0.203	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	168.5	168.5	63.2	29.2	0	0	0	111.6	L147 K148 E191 V193 L194	N145-L147 VanDerWaalsContact C-N 3.27Å; N145-L147 PolarHBondContact O-N 3.09Å; N145-L147 WeakPolarHBondContact OD1-CB 3.28Å; N145-L147 PolarHBondContact OD1-N 3.08Å; N145-K148 PolarHBondContact O-N 2.88Å; N145-K148 PolarHBondContact OD1-N 3.31Å; N145-K148 VanDerWaalsContact OD1-N 3.13Å; N145-E191 VanDerWaalsContact CB-O 3.25Å; N145-E191 WeakPolarHBondContact CB-O 3.3Å; N145-V193 CarbonylContact C-O 3.59Å; N145-V193 VanDerWaalsContact CA-O 3.26Å; N145-V193 WeakPolarHBondContact CA-O 3.05Å; N145-L194 HydrophobicContact CB-CD2 3.61Å
146	L	97.1	Very high	95.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69	-23.2	-179.9	-65.5	-178	0	0	0	113.4	K148 L149 I150 I166 P190 V193 I195 V261 L312	L146-K148 VanDerWaalsContact C-N 3.25Å; L146-K148 PolarHBondContact O-N 3.3Å; L146-L149 HydrophobicContact CD2-CD2 4.41Å; L146-L149 WeakPolarHBondContact O-CA 3.25Å; L146-L149 VanDerWaalsContact O-CB 3.26Å; L146-L149 WeakPolarHBondContact O-CB 3.45Å; L146-L149 PolarHBondContact O-N 3.12Å; L146-I150 PolarHBondContact O-N 3.04Å; L146-I150 VanDerWaalsContact O-N 3.1Å; L146-I166 HydrophobicContact CD1-CG2 3.48Å; L146-I166 VanDerWaalsContact CD1-CG2 3.48Å; L146-I166 HydrophobicContact CD2-CD1 3.96Å; L146-I166 HydrophobicContact CD2-CG2 4.48Å; L146-P190 HydrophobicContact CB-CB 3.91Å; L146-P190 WeakPolarHBondContact CB-O 3.32Å; L146-P190 PolarHBondContact N-O 3.46Å; L146-V193 HydrophobicContact CD1-CB 3.67Å; L146-V193 HydrophobicContact CD1-CG1 3.53Å; L146-V193 HydrophobicContact CD1-CG2 4.43Å; L146-V193 HydrophobicContact CG-CB 3.94Å; L146-V193 HydrophobicContact CG-CG1 3.9Å; L146-V193 PolarHBondContact N-O 3.09Å; L146-I195 HydrophobicContact CD2-CD1 4.23Å; L146-I195 HydrophobicContact CD2-CG1 3.95Å; L146-V261 HydrophobicContact CD2-CG1 4.15Å; L146-L312 HydrophobicContact CB-CD2 4.13Å; L146-L312 HydrophobicContact CD1-CD1 4.03Å; L146-L312 HydrophobicContact CD1-CD2 4.14Å
147	L	95.6	Very high	95.3	Very high	31 Å²	31	43.6 Å²	43.6	16%	0.162	21%	0.214	C	C	.	.	H	α-helix	trans	-58.6	-40.4	173.2	177.7	61.9	0	0	0	111	N145 L149 I150 I151 P190 E191	N145-L147 VanDerWaalsContact C-N 3.27Å; N145-L147 PolarHBondContact O-N 3.09Å; N145-L147 WeakPolarHBondContact OD1-CB 3.28Å; N145-L147 PolarHBondContact OD1-N 3.08Å; L147-L149 PolarHBondContact O-N 3.44Å; L147-I150 PolarHBondContact O-N 2.76Å; L147-I151 HydrophobicContact CD1-CD1 4.3Å; L147-I151 HydrophobicContact CD1-CG1 4.36Å; L147-I151 HydrophobicContact CG-CD1 3.93Å; L147-I151 HydrophobicContact CG-CG1 4.45Å; L147-I151 WeakPolarHBondContact O-CG1 3.3Å; L147-I151 PolarHBondContact O-N 3.17Å; L147-P190 HydrophobicContact CB-CB 4.11Å; L147-E191 HydrophobicContact CB-CG 4.06Å; L147-E191 HydrophobicContact CD2-CG 3.67Å; L147-E191 HydrophobicContact CG-CG 4.48Å
148	K	93.4	Very high	95.2	Very high	34 Å²	34	44.2 Å²	44.2	15%	0.148	22%	0.217	C	C	.	.	H	α-helix	trans	-61.8	-27.7	173.7	-71.1	-161.6	172.7	-162.5	0	112.9	S25 D26 D144 N145 L146 R152	S25-K148 VanDerWaalsContact OG-CE 3.3Å; S25-K148 WeakPolarHBondContact OG-CE 3.37Å; D26-K148 IonicContact OD1-NZ 3.43Å; D26-K148 PolarHBondContact OD1-NZ 3.26Å; D26-K148 IonicContact OD2-NZ 3.85Å; D144-K148 HydrophobicContact CB-CB 4Å; D144-K148 HydrophobicContact CB-CD 3.77Å; D144-K148 HydrophobicContact CB-CG 4.29Å; D144-K148 IonicContact OD1-NZ 3.49Å; N145-K148 PolarHBondContact O-N 2.88Å; N145-K148 PolarHBondContact OD1-N 3.31Å; N145-K148 VanDerWaalsContact OD1-N 3.13Å; L146-K148 VanDerWaalsContact C-N 3.25Å; L146-K148 PolarHBondContact O-N 3.3Å; K148-R152 WeakPolarHBondContact O-CB 3.26Å; K148-R152 WeakPolarHBondContact O-CD 3.32Å; K148-R152 WeakPolarHBondContact O-CG 3.4Å; K148-R152 PolarHBondContact O-N 2.91Å
149	L	93.4	Very high	95	Very high	31 Å²	31	48.1 Å²	48.1	16%	0.162	24%	0.243	C	C	.	.	H	α-helix	trans	-72.8	-43.2	175.2	-168.4	67.5	0	0	0	111.3	L146 L147 R152 S153 I158 I166 L259	L146-L149 HydrophobicContact CD2-CD2 4.41Å; L146-L149 WeakPolarHBondContact O-CA 3.25Å; L146-L149 VanDerWaalsContact O-CB 3.26Å; L146-L149 WeakPolarHBondContact O-CB 3.45Å; L146-L149 PolarHBondContact O-N 3.12Å; L147-L149 PolarHBondContact O-N 3.44Å; L149-R152 PolarHBondContact O-N 3.41Å; L149-S153 PolarHBondContact O-N 2.88Å; L149-I158 HydrophobicContact CD2-CD1 3.66Å; L149-I158 HydrophobicContact CD2-CG2 3.95Å; L149-I158 HydrophobicContact CG-CG2 3.87Å; L149-I166 HydrophobicContact CD2-CD1 4.35Å; L149-L259 HydrophobicContact CD2-CD1 4.14Å
150	I	95.1	Very high	94.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-45.2	174.4	-63.2	166.2	0	0	0	110.8	L146 L147 R152 S153 N154 Y155 P190 E311 L312	L146-I150 PolarHBondContact O-N 3.04Å; L146-I150 VanDerWaalsContact O-N 3.1Å; L147-I150 PolarHBondContact O-N 2.76Å; I150-R152 VanDerWaalsContact C-N 3.34Å; I150-R152 PolarHBondContact O-N 2.92Å; I150-S153 PolarHBondContact O-N 3.47Å; I150-S153 PolarHBondContact O-OG 3.13Å; I150-N154 PolarHBondContact O-N 2.54Å; I150-Y155 HydrophobicContact CG2-CD1 3.62Å; I150-Y155 HydrophobicContact CG2-CE1 4.03Å; I150-Y155 HydrophobicContact CG2-CG 4.32Å; I150-Y155 PolarHBondContact O-N 2.85Å; I150-P190 HydrophobicContact CD1-CB 3.95Å; I150-P190 HydrophobicContact CD1-CG 3.77Å; I150-E311 HydrophobicContact CD1-CG 3.94Å; I150-E311 WeakPolarHBondContact CD1-OE1 3.44Å; I150-L312 HydrophobicContact CD1-CD2 3.99Å; I150-L312 HydrophobicContact CG1-CD2 4.02Å
151	I	94.8	Very high	94.8	Very high	66 Å²	66	47.3 Å²	47.3	34%	0.338	24%	0.244	S	C	.	.	H	α-helix	trans	-61.2	-44.2	176.6	-67.1	167	0	0	0	110.6	L147 S153 N154 Y155	L147-I151 HydrophobicContact CD1-CD1 4.3Å; L147-I151 HydrophobicContact CD1-CG1 4.36Å; L147-I151 HydrophobicContact CG-CD1 3.93Å; L147-I151 HydrophobicContact CG-CG1 4.45Å; L147-I151 WeakPolarHBondContact O-CG1 3.3Å; L147-I151 PolarHBondContact O-N 3.17Å; I151-S153 PolarHBondContact O-N 3.44Å; I151-N154 PolarHBondContact O-N 3.5Å; I151-Y155 HydrophobicContact CG1-CE2 4.4Å
152	R	94.1	Very high	94.7	Very high	144 Å²	144	50 Å²	50	54%	0.543	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-25.2	178.5	-77.9	170.8	-177.6	157.4	8	113.4	D144 K148 L149 I150	D144-R152 IonicContact OD2-CZ 3.48Å; D144-R152 IonicContact OD2-NH1 3.53Å; D144-R152 PolarHBondContact OD2-NH1 3.29Å; D144-R152 IonicContact OD2-NH2 2.78Å; D144-R152 PolarHBondContact OD2-NH2 3Å; K148-R152 WeakPolarHBondContact O-CB 3.26Å; K148-R152 WeakPolarHBondContact O-CD 3.32Å; K148-R152 WeakPolarHBondContact O-CG 3.4Å; K148-R152 PolarHBondContact O-N 2.91Å; L149-R152 PolarHBondContact O-N 3.41Å; I150-R152 VanDerWaalsContact C-N 3.34Å; I150-R152 PolarHBondContact O-N 2.92Å
153	S	94.1	Very high	94.8	Very high	26 Å²	26	49.3 Å²	49.3	18%	0.182	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	10.6	172.2	75	0	0	0	0	113.4	L149 I150 I151 Y155 E156 G157	L149-S153 PolarHBondContact O-N 2.88Å; I150-S153 PolarHBondContact O-N 3.47Å; I150-S153 PolarHBondContact O-OG 3.13Å; I151-S153 PolarHBondContact O-N 3.44Å; S153-Y155 PolarHBondContact O-N 3.45Å; S153-E156 WeakPolarHBondContact O-CB 3.44Å; S153-E156 PolarHBondContact O-N 3.34Å; S153-E156 VanDerWaalsContact O-N 3.08Å; S153-G157 WeakPolarHBondContact CB-O 3.3Å; S153-G157 PolarHBondContact OG-O 3.34Å
154	N	95.8	Very high	95	Very high	127 Å²	127	50.8 Å²	50.8	68%	0.679	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	33.7	-175.6	-60.9	-46.6	0	0	0	113.2	I150 I151 E156	I150-N154 PolarHBondContact O-N 2.54Å; I151-N154 PolarHBondContact O-N 3.5Å; N154-E156 PolarHBondContact O-N 3.47Å
155	Y	95.2	Very high	95.1	Very high	105 Å²	105	50 Å²	50	41%	0.412	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	30.7	-176.6	-54.9	-94.6	0	0	0	113.4	I150 I151 S153 G315	I150-Y155 HydrophobicContact CG2-CD1 3.62Å; I150-Y155 HydrophobicContact CG2-CE1 4.03Å; I150-Y155 HydrophobicContact CG2-CG 4.32Å; I150-Y155 PolarHBondContact O-N 2.85Å; I151-Y155 HydrophobicContact CG1-CE2 4.4Å; S153-Y155 PolarHBondContact O-N 3.45Å; Y155-G315 WeakPolarHBondContact O-CA 3.25Å
156	E	96.2	Very high	95.2	Very high	157 Å²	157	48.1 Å²	48.1	73%	0.734	24%	0.24	S	C	*	.	S	Bend	trans	-94.9	4.6	173.2	-60.8	-176.8	165.5	0	0	112.6	S153 N154	S153-E156 WeakPolarHBondContact O-CB 3.44Å; S153-E156 PolarHBondContact O-N 3.34Å; S153-E156 VanDerWaalsContact O-N 3.08Å; N154-E156 PolarHBondContact O-N 3.47Å
157	G	95.4	Very high	95.3	Very high	10 Å²	10	48.1 Å²	48.1	10%	0.103	24%	0.24	C	C	.	.			trans	79.6	178.9	-169.5	0	0	0	0	0	112.9	S153 L312	S153-G157 WeakPolarHBondContact CB-O 3.3Å; S153-G157 PolarHBondContact OG-O 3.34Å; G157-L312 CarbonylContact C-O 3.58Å; G157-L312 VanDerWaalsContact CA-O 3.29Å; G157-L312 WeakPolarHBondContact CA-O 3.44Å
158	I	95.5	Very high	95.4	Very high	13 Å²	13	51 Å²	51	7%	0.067	25%	0.25	C	S	.	.			trans	-120.6	161	177.7	73.3	-178.8	0	0	0	110.1	L149 L160 E162 V163 I166 L312	L149-I158 HydrophobicContact CD2-CD1 3.66Å; L149-I158 HydrophobicContact CD2-CG2 3.95Å; L149-I158 HydrophobicContact CG-CG2 3.87Å; I158-L160 PolarHBondContact O-N 2.9Å; I158-E162 HydrophobicContact CD1-CB 4.14Å; I158-E162 HydrophobicContact CG1-CB 4.44Å; I158-V163 HydrophobicContact CD1-CG2 4.02Å; I158-V163 HydrophobicContact CG1-CG2 3.46Å; I158-V163 VanDerWaalsContact CG1-CG2 3.46Å; I158-I166 HydrophobicContact CD1-CD1 3.64Å; I158-L312 HydrophobicContact CD1-CB 4.36Å; I158-L312 HydrophobicContact CD1-CD2 4.27Å; I158-L312 WeakPolarHBondContact CG1-O 3.27Å; I158-L312 PolarHBondContact N-O 3.48Å
159	P	94.9	Very high	95.6	Very high	83 Å²	83	49.9 Å²	49.9	54%	0.539	25%	0.246	S	C	.	.			trans	-54.6	135.2	-178.9	-26.5	35.4	0	0	0	112.9	G161 E162 V163	P159-G161 PolarHBondContact O-N 3.34Å; P159-G161 VanDerWaalsContact O-N 3.08Å; P159-E162 HydrophobicContact CB-CG 4.45Å; P159-E162 WeakPolarHBondContact O-CA 3.44Å; P159-E162 WeakPolarHBondContact O-CB 3.44Å; P159-E162 PolarHBondContact O-N 3.29Å; P159-V163 PolarHBondContact O-N 3.08Å; P159-V163 VanDerWaalsContact O-N 3.1Å
160	L	94.7	Very high	95.9	Very high	26 Å²	26	48.4 Å²	48.4	14%	0.136	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-28.5	-175.3	-64.7	-177.8	0	0	0	114.4	I158 E162 V163 R164 A313 W386 E390	I158-L160 PolarHBondContact O-N 2.9Å; L160-E162 VanDerWaalsContact C-N 3.29Å; L160-E162 PolarHBondContact O-N 2.97Å; L160-V163 HydrophobicContact CD2-CG2 4.4Å; L160-V163 PolarHBondContact O-N 3.49Å; L160-R164 WeakPolarHBondContact O-CB 3.28Å; L160-R164 WeakPolarHBondContact O-CG 3.49Å; L160-R164 PolarHBondContact O-N 3.31Å; L160-A313 HydrophobicContact CD2-CB 3.86Å; L160-W386 HydrophobicContact CD1-CE3 4.21Å; L160-W386 HydrophobicContact CD1-CH2 3.89Å; L160-W386 HydrophobicContact CD1-CZ2 4.36Å; L160-W386 HydrophobicContact CD1-CZ3 3.77Å; L160-W386 HydrophobicContact CD2-CH2 3.26Å; L160-W386 HydrophobicContact CD2-CZ2 3.63Å; L160-W386 HydrophobicContact CD2-CZ3 3.99Å; L160-W386 HydrophobicContact CG-CH2 4.18Å; L160-W386 HydrophobicContact CG-CZ2 4.47Å; L160-E390 HydrophobicContact CD1-CB 4.39Å; L160-E390 HydrophobicContact CD1-CG 4.38Å
161	G	94	Very high	96.1	Very high	14 Å²	14	48.4 Å²	48.4	14%	0.144	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-38.2	172.1	0	0	0	0	0	112.7	P159 S165	P159-G161 PolarHBondContact O-N 3.34Å; P159-G161 VanDerWaalsContact O-N 3.08Å; G161-S165 PolarHBondContact O-N 3.09Å
162	E	94.3	Very high	96.3	Very high	77 Å²	77	46.9 Å²	46.9	36%	0.36	23%	0.23	S	C	.	.	H	α-helix	trans	-73	-43.4	174.9	-62.6	-169.8	177.9	0	0	111.3	I158 P159 L160 R164 S165 I166	I158-E162 HydrophobicContact CD1-CB 4.14Å; I158-E162 HydrophobicContact CG1-CB 4.44Å; P159-E162 HydrophobicContact CB-CG 4.45Å; P159-E162 WeakPolarHBondContact O-CA 3.44Å; P159-E162 WeakPolarHBondContact O-CB 3.44Å; P159-E162 PolarHBondContact O-N 3.29Å; L160-E162 VanDerWaalsContact C-N 3.29Å; L160-E162 PolarHBondContact O-N 2.97Å; E162-R164 VanDerWaalsContact C-N 3.32Å; E162-R164 PolarHBondContact O-N 3.31Å; E162-S165 WeakPolarHBondContact O-CB 3.38Å; E162-S165 PolarHBondContact O-N 3.23Å; E162-S165 VanDerWaalsContact O-N 3.11Å; E162-I166 WeakPolarHBondContact O-CB 3.2Å; E162-I166 WeakPolarHBondContact O-CG1 3.17Å; E162-I166 PolarHBondContact O-N 3.22Å
163	V	96.8	Very high	96.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-55.1	-48.6	174.7	-174.2	0	0	0	0	110.5	I158 P159 L160 S165 I166 I167 L312 A313 W420	I158-V163 HydrophobicContact CD1-CG2 4.02Å; I158-V163 HydrophobicContact CG1-CG2 3.46Å; I158-V163 VanDerWaalsContact CG1-CG2 3.46Å; P159-V163 PolarHBondContact O-N 3.08Å; P159-V163 VanDerWaalsContact O-N 3.1Å; L160-V163 HydrophobicContact CD2-CG2 4.4Å; L160-V163 PolarHBondContact O-N 3.49Å; V163-S165 VanDerWaalsContact C-N 3.34Å; V163-S165 PolarHBondContact O-N 3.24Å; V163-I166 PolarHBondContact O-N 2.91Å; V163-I167 HydrophobicContact CG1-CG1 4.01Å; V163-I167 WeakPolarHBondContact O-CB 3.46Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.48Å; V163-I167 PolarHBondContact O-N 3.39Å; V163-L312 HydrophobicContact CG1-CB 4.19Å; V163-L312 HydrophobicContact CG2-CB 4.18Å; V163-A313 HydrophobicContact CG1-CB 4.39Å; V163-A313 HydrophobicContact CG2-CB 4.16Å; V163-W420 HydrophobicContact CG1-CH2 4.07Å
164	R	96.5	Very high	96.7	Very high	46 Å²	46	38.8 Å²	38.8	17%	0.174	20%	0.195	C	C	.	.	H	α-helix	trans	-56	-47	176.1	-78	-171.4	-72.8	-98.1	5.5	112	L160 E162 K168 W420 C423	L160-R164 WeakPolarHBondContact O-CB 3.28Å; L160-R164 WeakPolarHBondContact O-CG 3.49Å; L160-R164 PolarHBondContact O-N 3.31Å; E162-R164 VanDerWaalsContact C-N 3.32Å; E162-R164 PolarHBondContact O-N 3.31Å; R164-K168 VanDerWaalsContact O-CB 3.24Å; R164-K168 WeakPolarHBondContact O-CB 3.44Å; R164-K168 PolarHBondContact O-N 2.92Å; R164-W420 HydrophobicContact CB-CH2 4.32Å; R164-W420 HydrophobicContact CB-CZ3 4.35Å; R164-W420 WeakPolarHBondContact CD-O 3.35Å; R164-W420 HydrophobicContact CG-CD2 3.98Å; R164-W420 HydrophobicContact CG-CE3 3.84Å; R164-W420 HydrophobicContact CG-CH2 3.4Å; R164-W420 VanDerWaalsContact CG-CH2 3.4Å; R164-W420 HydrophobicContact CG-CZ2 3.55Å; R164-W420 HydrophobicContact CG-CZ3 3.57Å; R164-C423 PolarHBondContact NE-O 3.32Å
165	S	95.8	Very high	96.9	Very high	21 Å²	21	33.3 Å²	33.3	15%	0.147	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-44	-180	-173.9	0	0	0	0	112.2	G161 E162 V163 Q169	G161-S165 PolarHBondContact O-N 3.09Å; E162-S165 WeakPolarHBondContact O-CB 3.38Å; E162-S165 PolarHBondContact O-N 3.23Å; E162-S165 VanDerWaalsContact O-N 3.11Å; V163-S165 VanDerWaalsContact C-N 3.34Å; V163-S165 PolarHBondContact O-N 3.24Å; S165-Q169 VanDerWaalsContact O-CG 3.3Å; S165-Q169 WeakPolarHBondContact O-CG 3.46Å; S165-Q169 PolarHBondContact O-N 3.3Å; S165-Q169 PolarHBondContact O-NE2 2.88Å; S165-Q169 PolarHBondContact OG-NE2 3.3Å
166	I	97.5	Very high	97	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.8	-53.4	179.3	-72.2	164.3	0	0	0	110.2	L146 L149 I158 E162 V163 K168 Q169 V170 L259 V261 L312	L146-I166 HydrophobicContact CD1-CG2 3.48Å; L146-I166 VanDerWaalsContact CD1-CG2 3.48Å; L146-I166 HydrophobicContact CD2-CD1 3.96Å; L146-I166 HydrophobicContact CD2-CG2 4.48Å; L149-I166 HydrophobicContact CD2-CD1 4.35Å; I158-I166 HydrophobicContact CD1-CD1 3.64Å; E162-I166 WeakPolarHBondContact O-CB 3.2Å; E162-I166 WeakPolarHBondContact O-CG1 3.17Å; E162-I166 PolarHBondContact O-N 3.22Å; V163-I166 PolarHBondContact O-N 2.91Å; I166-K168 VanDerWaalsContact C-N 3.29Å; I166-K168 PolarHBondContact O-N 2.97Å; I166-Q169 PolarHBondContact O-N 2.59Å; I166-V170 HydrophobicContact CG2-CG2 4.41Å; I166-V170 WeakPolarHBondContact O-CG2 3.46Å; I166-V170 PolarHBondContact O-N 3.45Å; I166-L259 HydrophobicContact CD1-CD1 4.48Å; I166-L259 HydrophobicContact CD1-CD2 4.12Å; I166-L259 HydrophobicContact CG1-CD2 3.86Å; I166-V261 HydrophobicContact CG1-CG1 4.08Å; I166-V261 HydrophobicContact CG2-CG1 4.47Å; I166-V261 HydrophobicContact CG2-CG2 4.38Å; I166-L312 HydrophobicContact CG2-CD1 3.88Å
167	I	98.4	Very high	97.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.1	-37.2	-176.7	-65.4	-58.1	0	0	0	111.5	V163 Q169 V170 L171 T305 M308 A309 L312 F397 L421	V163-I167 HydrophobicContact CG1-CG1 4.01Å; V163-I167 WeakPolarHBondContact O-CB 3.46Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.48Å; V163-I167 PolarHBondContact O-N 3.39Å; I167-Q169 PolarHBondContact O-N 3.47Å; I167-V170 PolarHBondContact O-N 3.41Å; I167-L171 HydrophobicContact CG2-CD1 3.8Å; I167-L171 HydrophobicContact CG2-CG 4.26Å; I167-L171 WeakPolarHBondContact O-CB 3.22Å; I167-L171 VanDerWaalsContact O-CG 3.26Å; I167-L171 WeakPolarHBondContact O-CG 3.03Å; I167-L171 PolarHBondContact O-N 3.11Å; I167-T305 HydrophobicContact CD1-CG2 4.25Å; I167-T305 HydrophobicContact CG2-CG2 4.33Å; I167-M308 HydrophobicContact CD1-CE 3.95Å; I167-A309 HydrophobicContact CD1-CB 3.63Å; I167-A309 HydrophobicContact CG1-CB 3.74Å; I167-L312 HydrophobicContact CD1-CD1 4.07Å; I167-F397 HydrophobicContact CG2-CE1 3.91Å; I167-F397 HydrophobicContact CG2-CZ 3.75Å; I167-L421 HydrophobicContact CG2-CD2 4.4Å
168	K	98.2	Very high	97.3	Very high	90 Å²	90	21.2 Å²	21.2	39%	0.391	11%	0.111	S	C	.	.	H	α-helix	trans	-57.5	-47.8	172.2	-178.3	178.3	177.3	178.3	0	112	R164 I166 L171 E172 L416 L421	R164-K168 VanDerWaalsContact O-CB 3.24Å; R164-K168 WeakPolarHBondContact O-CB 3.44Å; R164-K168 PolarHBondContact O-N 2.92Å; I166-K168 VanDerWaalsContact C-N 3.29Å; I166-K168 PolarHBondContact O-N 2.97Å; K168-L171 PolarHBondContact O-N 3.01Å; K168-E172 VanDerWaalsContact CE-OE1 3.3Å; K168-E172 WeakPolarHBondContact CE-OE1 3.38Å; K168-E172 WeakPolarHBondContact O-CG 3.15Å; K168-E172 PolarHBondContact O-N 3.42Å; K168-L416 HydrophobicContact CG-CD2 3.94Å; K168-L421 HydrophobicContact CB-CD1 4.42Å; K168-L421 HydrophobicContact CB-CD2 4.29Å
169	Q	98.2	Very high	97.4	Very high	11 Å²	11	23.5 Å²	23.5	5%	0.051	13%	0.125	C	C	.	.	H	α-helix	trans	-67	-38	-179.5	-70.6	175.6	78	0	0	112.2	R117 S165 I166 I167 E172 G173 L259 E260 V261	R117-Q169 WeakPolarHBondContact CB-O 3.44Å; S165-Q169 VanDerWaalsContact O-CG 3.3Å; S165-Q169 WeakPolarHBondContact O-CG 3.46Å; S165-Q169 PolarHBondContact O-N 3.3Å; S165-Q169 PolarHBondContact O-NE2 2.88Å; S165-Q169 PolarHBondContact OG-NE2 3.3Å; I166-Q169 PolarHBondContact O-N 2.59Å; I167-Q169 PolarHBondContact O-N 3.47Å; Q169-E172 WeakPolarHBondContact O-CB 3.44Å; Q169-E172 PolarHBondContact O-N 2.8Å; Q169-G173 PolarHBondContact O-N 3.35Å; Q169-L259 PolarHBondContact NE2-O 3.3Å; Q169-E260 VanDerWaalsContact OE1-CA 3.27Å; Q169-V261 HydrophobicContact CB-CG2 3.52Å; Q169-V261 HydrophobicContact CG-CG2 4.36Å
170	V	98.8	Very high	97.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-46.6	172.5	172.8	0	0	0	0	110.6	I166 I167 E172 G173 L174 V193 V261 I263 T305 M308	I166-V170 HydrophobicContact CG2-CG2 4.41Å; I166-V170 WeakPolarHBondContact O-CG2 3.46Å; I166-V170 PolarHBondContact O-N 3.45Å; I167-V170 PolarHBondContact O-N 3.41Å; V170-E172 PolarHBondContact O-N 3.12Å; V170-G173 PolarHBondContact O-N 3.29Å; V170-G173 VanDerWaalsContact O-N 3.17Å; V170-L174 HydrophobicContact CG1-CD1 4.18Å; V170-L174 HydrophobicContact CG1-CG 4.43Å; V170-L174 WeakPolarHBondContact O-CG 3.39Å; V170-L174 PolarHBondContact O-N 3.36Å; V170-V193 HydrophobicContact CG2-CG1 4Å; V170-V193 HydrophobicContact CG2-CG2 4.06Å; V170-V261 HydrophobicContact CG2-CG2 4.41Å; V170-I263 HydrophobicContact CG1-CD1 4.36Å; V170-T305 HydrophobicContact CG1-CG2 4.03Å; V170-M308 HydrophobicContact CB-CE 4.41Å; V170-M308 HydrophobicContact CG1-CE 3.94Å; V170-M308 HydrophobicContact CG2-CE 3.97Å
171	L	98.8	Very high	97.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.4	-36.4	178	-71	167.6	0	0	0	112.6	I167 K168 G173 L174 D175 I302 T305 F397 M401 A412 C415 L416 L421	I167-L171 HydrophobicContact CG2-CD1 3.8Å; I167-L171 HydrophobicContact CG2-CG 4.26Å; I167-L171 WeakPolarHBondContact O-CB 3.22Å; I167-L171 VanDerWaalsContact O-CG 3.26Å; I167-L171 WeakPolarHBondContact O-CG 3.03Å; I167-L171 PolarHBondContact O-N 3.11Å; K168-L171 PolarHBondContact O-N 3.01Å; L171-G173 VanDerWaalsContact C-N 3.35Å; L171-L174 PolarHBondContact O-N 3.22Å; L171-D175 WeakPolarHBondContact O-CB 3.37Å; L171-D175 PolarHBondContact O-N 2.98Å; L171-I302 HydrophobicContact CD2-CD1 4.11Å; L171-T305 HydrophobicContact CD2-CG2 4.18Å; L171-T305 HydrophobicContact CG-CG2 4.4Å; L171-F397 HydrophobicContact CD1-CE2 4.39Å; L171-F397 HydrophobicContact CD1-CZ 3.97Å; L171-M401 HydrophobicContact CD2-CE 4.26Å; L171-A412 HydrophobicContact CD2-CB 4.31Å; L171-C415 HydrophobicContact CD1-CB 3.56Å; L171-C415 HydrophobicContact CD2-CB 3.94Å; L171-C415 HydrophobicContact CG-CB 4.36Å; L171-L416 HydrophobicContact CB-CD2 3.77Å; L171-L416 HydrophobicContact CB-CG 4Å; L171-L421 HydrophobicContact CD1-CD1 3.79Å
172	E	98.6	Very high	98	Very high	34 Å²	34	26.5 Å²	26.5	16%	0.159	13%	0.125	C	C	.	.	H	α-helix	trans	-57.3	-48.6	170.3	-78	169.1	-177.9	0	0	110.5	K114 R117 K168 Q169 V170 D175 Y176 L416	K114-E172 HydrophobicContact CB-CB 4.4Å; K114-E172 WeakPolarHBondContact CB-O 3.43Å; K114-E172 HydrophobicContact CG-CB 4.04Å; K114-E172 HydrophobicContact CG-CG 4.31Å; R117-E172 HydrophobicContact CB-CB 4.49Å; R117-E172 HydrophobicContact CG-CB 3.75Å; R117-E172 IonicContact CZ-OE2 2.87Å; R117-E172 IonicContact NE-OE2 3.34Å; R117-E172 PolarHBondContact NE-OE2 3.47Å; R117-E172 IonicContact NH2-OE2 3.4Å; R117-E172 PolarHBondContact NH2-OE2 3.03Å; K168-E172 VanDerWaalsContact CE-OE1 3.3Å; K168-E172 WeakPolarHBondContact CE-OE1 3.38Å; K168-E172 WeakPolarHBondContact O-CG 3.15Å; K168-E172 PolarHBondContact O-N 3.42Å; Q169-E172 WeakPolarHBondContact O-CB 3.44Å; Q169-E172 PolarHBondContact O-N 2.8Å; V170-E172 PolarHBondContact O-N 3.12Å; E172-D175 PolarHBondContact O-N 2.68Å; E172-Y176 PolarHBondContact O-N 3.37Å; E172-Y176 VanDerWaalsContact O-N 3.12Å; E172-L416 HydrophobicContact CG-CD1 4.2Å; E172-L416 HydrophobicContact CG-CD2 3.87Å
173	G	98.7	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-43.2	176.9	0	0	0	0	0	113.5	Q169 V170 L171 Y176 L177	Q169-G173 PolarHBondContact O-N 3.35Å; V170-G173 PolarHBondContact O-N 3.29Å; V170-G173 VanDerWaalsContact O-N 3.17Å; L171-G173 VanDerWaalsContact C-N 3.35Å; G173-Y176 WeakPolarHBondContact O-CB 3.33Å; G173-Y176 PolarHBondContact O-N 3.5Å; G173-L177 WeakPolarHBondContact O-CG 3.39Å; G173-L177 PolarHBondContact O-N 3.4Å
174	L	98.9	Very high	98.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.1	-40.5	176.1	-72.3	179.1	0	0	0	112.2	V170 L171 Y176 L177 H178 H185 I188 I263 D301 I302 T305 A412	V170-L174 HydrophobicContact CG1-CD1 4.18Å; V170-L174 HydrophobicContact CG1-CG 4.43Å; V170-L174 WeakPolarHBondContact O-CG 3.39Å; V170-L174 PolarHBondContact O-N 3.36Å; L171-L174 PolarHBondContact O-N 3.22Å; L174-Y176 VanDerWaalsContact C-N 3.26Å; L174-Y176 PolarHBondContact O-N 3.26Å; L174-L177 HydrophobicContact CD2-CD1 4.36Å; L174-L177 PolarHBondContact O-N 3.01Å; L174-H178 VanDerWaalsContact O-CB 3.25Å; L174-H178 WeakPolarHBondContact O-CB 3.27Å; L174-H178 PolarHBondContact O-CD2 3.07Å; L174-H178 PolarHBondContact O-N 3.36Å; L174-H185 HydrophobicContact CD2-CB 4.43Å; L174-I188 HydrophobicContact CD2-CD1 3.95Å; L174-I188 HydrophobicContact CD2-CG1 4.1Å; L174-I263 HydrophobicContact CD2-CD1 3.98Å; L174-I263 HydrophobicContact CG-CD1 3.91Å; L174-D301 HydrophobicContact CD1-CB 4.08Å; L174-D301 HydrophobicContact CD2-CB 3.86Å; L174-I302 HydrophobicContact CD1-CD1 4.27Å; L174-T305 WeakPolarHBondContact CD1-OG1 3.49Å; L174-A412 HydrophobicContact CB-CB 4.13Å
175	D	98.8	Very high	98.4	Very high	13 Å²	13	20.7 Å²	20.7	7%	0.07	10%	0.1	C	C	.	.	H	α-helix	trans	-59.1	-41.3	175.2	-173.5	47.2	0	0	0	111	K114 L171 E172 T179 A412 L416	K114-D175 HydrophobicContact CD-CB 4.25Å; K114-D175 WeakPolarHBondContact CE-OD2 3.42Å; K114-D175 IonicContact NZ-OD2 2.64Å; K114-D175 PolarHBondContact NZ-OD2 3.26Å; L171-D175 WeakPolarHBondContact O-CB 3.37Å; L171-D175 PolarHBondContact O-N 2.98Å; E172-D175 PolarHBondContact O-N 2.68Å; D175-T179 VanDerWaalsContact O-CB 3.27Å; D175-T179 WeakPolarHBondContact O-CB 3.45Å; D175-T179 VanDerWaalsContact O-CG2 3.32Å; D175-T179 WeakPolarHBondContact O-CG2 3.48Å; D175-T179 PolarHBondContact O-N 3.38Å; D175-T179 PolarHBondContact O-OG1 2.81Å; D175-T179 VanDerWaalsContact OD1-CG2 3.26Å; D175-T179 WeakPolarHBondContact OD1-CG2 3.33Å; D175-A412 HydrophobicContact CB-CB 3.76Å; D175-L416 HydrophobicContact CB-CD1 4.28Å
176	Y	98.8	Very high	98.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.2	-51.9	173.7	-173.5	-103	0	0	0	112.3	V105 D109 D112 K114 R115 E172 G173 L174 H178 K180 C181	V105-Y176 HydrophobicContact CG1-CD1 4.48Å; V105-Y176 HydrophobicContact CG1-CE1 4.02Å; V105-Y176 WeakPolarHBondContact O-CE1 3.44Å; V105-Y176 PolarHBondContact O-OH 3.45Å; V105-Y176 VanDerWaalsContact O-OH 3.07Å; D109-Y176 HydrophobicContact CB-CE2 4.11Å; D109-Y176 PolarHBondContact N-OH 3.16Å; D109-Y176 VanDerWaalsContact N-OH 3.16Å; D109-Y176 WeakPolarHBondContact O-CE2 3.45Å; D109-Y176 PolarHBondContact O-OH 2.96Å; D112-Y176 HydrophobicContact CB-CD2 3.94Å; D112-Y176 HydrophobicContact CB-CE2 3.78Å; K114-Y176 HydrophobicContact CB-CD2 4.47Å; R115-Y176 HydrophobicContact CB-CD1 4.23Å; R115-Y176 HydrophobicContact CB-CD2 4.15Å; R115-Y176 HydrophobicContact CB-CE1 3.83Å; R115-Y176 HydrophobicContact CB-CE2 3.75Å; R115-Y176 HydrophobicContact CB-CG 4.37Å; R115-Y176 WeakPolarHBondContact CD-OH 3.4Å; R115-Y176 HydrophobicContact CG-CD1 4.45Å; R115-Y176 HydrophobicContact CG-CE1 3.73Å; R115-Y176 HydrophobicContact CG-CE2 4.35Å; E172-Y176 PolarHBondContact O-N 3.37Å; E172-Y176 VanDerWaalsContact O-N 3.12Å; G173-Y176 WeakPolarHBondContact O-CB 3.33Å; G173-Y176 PolarHBondContact O-N 3.5Å; L174-Y176 VanDerWaalsContact C-N 3.26Å; L174-Y176 PolarHBondContact O-N 3.26Å; Y176-H178 PolarHBondContact O-N 2.87Å; Y176-K180 HydrophobicContact CD2-CB 3.97Å; Y176-K180 HydrophobicContact CD2-CG 3.65Å; Y176-K180 HydrophobicContact CE2-CB 3.86Å; Y176-K180 HydrophobicContact CE2-CG 3.79Å; Y176-K180 HydrophobicContact CG-CG 4.47Å; Y176-K180 WeakPolarHBondContact O-CA 3.5Å; Y176-K180 VanDerWaalsContact O-CB 3.3Å; Y176-K180 WeakPolarHBondContact O-CB 3.02Å; Y176-K180 PolarHBondContact O-N 3.17Å; Y176-C181 WeakPolarHBondContact CE1-SG 3.03Å; Y176-C181 PolarHBondContact O-N 3.21Å
177	L	98.7	Very high	98.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.096	C	C	.	.	I	π-helix	trans	-57.7	-46.8	179.5	-70.5	177	0	0	0	112	V105 V118 G173 L174 C181 K182 I183 I263	V105-L177 HydrophobicContact CG2-CD2 3.52Å; V118-L177 HydrophobicContact CG1-CD2 4.3Å; V118-L177 HydrophobicContact CG2-CD1 4.28Å; V118-L177 HydrophobicContact CG2-CD2 4.14Å; V118-L177 HydrophobicContact CG2-CG 3.99Å; G173-L177 WeakPolarHBondContact O-CG 3.39Å; G173-L177 PolarHBondContact O-N 3.4Å; L174-L177 HydrophobicContact CD2-CD1 4.36Å; L174-L177 PolarHBondContact O-N 3.01Å; L177-C181 CarbonylContact O-C 3.55Å; L177-C181 WeakPolarHBondContact O-CB 3.3Å; L177-C181 PolarHBondContact O-N 3.45Å; L177-K182 PolarHBondContact O-N 3.26Å; L177-I183 HydrophobicContact CB-CB 4.49Å; L177-I183 HydrophobicContact CD2-CB 4.38Å; L177-I183 HydrophobicContact CD2-CG2 4.39Å; L177-I183 PolarHBondContact O-N 2.88Å; L177-I263 HydrophobicContact CD1-CD1 4.4Å
178	H	98.7	Very high	98.6	Very high	18 Å²	18	20.4 Å²	20.4	8%	0.083	10%	0.097	C	C	.	.	I	π-helix	trans	-72.2	-45.6	-175.7	-64.2	177.7	0	0	0	111.8	L174 Y176 I183 T298 D301	L174-H178 VanDerWaalsContact O-CB 3.25Å; L174-H178 WeakPolarHBondContact O-CB 3.27Å; L174-H178 PolarHBondContact O-CD2 3.07Å; L174-H178 PolarHBondContact O-N 3.36Å; Y176-H178 PolarHBondContact O-N 2.87Å; H178-I183 PolarHBondContact CD2-O 2.66Å; H178-I183 VanDerWaalsContact CD2-O 3.28Å; H178-T298 HydrophobicContact CB-CG2 3.83Å; H178-T298 PolarHBondContact CE1-O 3.41Å; H178-D301 IonicContact CD2-OD2 3.55Å; H178-D301 IonicContact CE1-OD2 2.81Å; H178-D301 IonicContact NE2-OD2 3.69Å; H178-D301 PolarHBondContact NE2-OD2 2.83Å
179	T	98.2	Very high	98.6	Very high	61 Å²	61	16.7 Å²	16.7	37%	0.374	8%	0.081	S	C	.	.	I	π-helix	trans	-88.9	-40.7	-170.6	67.9	0	0	0	0	113.1	D175 K182	D175-T179 VanDerWaalsContact O-CB 3.27Å; D175-T179 WeakPolarHBondContact O-CB 3.45Å; D175-T179 VanDerWaalsContact O-CG2 3.32Å; D175-T179 WeakPolarHBondContact O-CG2 3.48Å; D175-T179 PolarHBondContact O-N 3.38Å; D175-T179 PolarHBondContact O-OG1 2.81Å; D175-T179 VanDerWaalsContact OD1-CG2 3.26Å; D175-T179 WeakPolarHBondContact OD1-CG2 3.33Å; T179-K182 WeakPolarHBondContact O-CE 3.37Å; T179-K182 PolarHBondContact O-NZ 3.21Å
180	K	98.2	Very high	98.6	Very high	83 Å²	83	16.2 Å²	16.2	36%	0.361	8%	0.078	S	C	.	.	I	π-helix	trans	-94.6	-45.8	-175.8	-53.9	-62.8	-176.2	143	0	112.1	D109 D112 Y176	D109-K180 HydrophobicContact CB-CB 4.48Å; D109-K180 HydrophobicContact CB-CD 4.16Å; D109-K180 HydrophobicContact CB-CG 4.32Å; D109-K180 IonicContact OD2-NZ 2.59Å; D109-K180 PolarHBondContact OD2-NZ 3.03Å; D112-K180 VanDerWaalsContact OD2-CE 3.28Å; D112-K180 WeakPolarHBondContact OD2-CE 3.48Å; D112-K180 IonicContact OD2-NZ 3.99Å; Y176-K180 HydrophobicContact CD2-CB 3.97Å; Y176-K180 HydrophobicContact CD2-CG 3.65Å; Y176-K180 HydrophobicContact CE2-CB 3.86Å; Y176-K180 HydrophobicContact CE2-CG 3.79Å; Y176-K180 HydrophobicContact CG-CG 4.47Å; Y176-K180 WeakPolarHBondContact O-CA 3.5Å; Y176-K180 VanDerWaalsContact O-CB 3.3Å; Y176-K180 WeakPolarHBondContact O-CB 3.02Å; Y176-K180 PolarHBondContact O-N 3.17Å
181	C	98.1	Very high	98.5	Very high	4 Å²	4	18.3 Å²	18.3	3%	0.027	9%	0.088	C	C	.	.	I	π-helix	trans	-89.7	-20.9	-173.6	-51.4	0	0	0	0	114	S108 Y176 L177 I183	S108-C181 WeakPolarHBondContact OG-CA 3.37Å; S108-C181 PolarHBondContact OG-SG 3.06Å; Y176-C181 WeakPolarHBondContact CE1-SG 3.03Å; Y176-C181 PolarHBondContact O-N 3.21Å; L177-C181 CarbonylContact O-C 3.55Å; L177-C181 WeakPolarHBondContact O-CB 3.3Å; L177-C181 PolarHBondContact O-N 3.45Å; C181-I183 VanDerWaalsContact C-N 3.28Å; C181-I183 HydrophobicContact CB-CB 4.24Å; C181-I183 HydrophobicContact CB-CD1 3.69Å; C181-I183 HydrophobicContact CB-CG1 3.83Å; C181-I183 PolarHBondContact O-N 3.4Å
182	K	98.4	Very high	98.4	Very high	99 Å²	99	18.9 Å²	18.9	43%	0.43	9%	0.091	S	C	.	.			trans	59.2	41.2	-173.3	-51.3	-47.4	-167.2	-169.3	0	112	L177 T179 W271 I272	L177-K182 PolarHBondContact O-N 3.26Å; T179-K182 WeakPolarHBondContact O-CE 3.37Å; T179-K182 PolarHBondContact O-NZ 3.21Å; K182-W271 WeakPolarHBondContact O-CA 3.4Å; K182-I272 HydrophobicContact CB-CD1 3.73Å; K182-I272 HydrophobicContact CB-CG1 3.89Å; K182-I272 HydrophobicContact CD-CD1 3.91Å; K182-I272 HydrophobicContact CG-CD1 4.06Å; K182-I272 WeakPolarHBondContact O-CG2 3.14Å; K182-I272 PolarHBondContact O-N 3Å
183	I	98.7	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	143.5	-179.3	-66.6	174.9	0	0	0	109.4	L101 V105 L177 H178 C181 A269 C270 W271	L101-I183 HydrophobicContact CB-CD1 4.19Å; L101-I183 HydrophobicContact CD2-CD1 3.66Å; L101-I183 HydrophobicContact CD2-CG1 3.72Å; L101-I183 HydrophobicContact CD2-CG2 4.22Å; V105-I183 HydrophobicContact CG2-CD1 3.88Å; L177-I183 HydrophobicContact CB-CB 4.49Å; L177-I183 HydrophobicContact CD2-CB 4.38Å; L177-I183 HydrophobicContact CD2-CG2 4.39Å; L177-I183 PolarHBondContact O-N 2.88Å; H178-I183 PolarHBondContact CD2-O 2.66Å; H178-I183 VanDerWaalsContact CD2-O 3.28Å; C181-I183 VanDerWaalsContact C-N 3.28Å; C181-I183 HydrophobicContact CB-CB 4.24Å; C181-I183 HydrophobicContact CB-CD1 3.69Å; C181-I183 HydrophobicContact CB-CG1 3.83Å; C181-I183 PolarHBondContact O-N 3.4Å; I183-A269 HydrophobicContact CG2-CB 4.01Å; I183-C270 CarbonylContact C-O 3.6Å; I183-C270 WeakPolarHBondContact CA-O 3.38Å; I183-W271 HydrophobicContact CD1-CZ3 4.2Å; I183-W271 HydrophobicContact CG1-CE3 3.97Å; I183-W271 HydrophobicContact CG1-CZ3 3.96Å
184	I	98.7	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.8	167.1	-49.2	167.1	0	0	0	106.3	T186 A269 C270 I272 Y296 T298	I184-T186 HydrophobicContact CB-CG2 4.11Å; I184-T186 HydrophobicContact CG2-CG2 3.82Å; I184-A269 CarbonylContact O-C 3.51Å; I184-A269 VanDerWaalsContact O-CA 3.22Å; I184-A269 WeakPolarHBondContact O-CA 3.4Å; I184-A269 VanDerWaalsContact O-CB 3.3Å; I184-A269 WeakPolarHBondContact O-CB 3.44Å; I184-C270 PolarHBondContact N-O 2.9Å; I184-C270 PolarHBondContact O-N 3.12Å; I184-I272 HydrophobicContact CD1-CG2 4.27Å; I184-I272 HydrophobicContact CG1-CG2 3.9Å; I184-Y296 HydrophobicContact CD1-CD2 4.05Å; I184-Y296 HydrophobicContact CD1-CE2 3.85Å; I184-Y296 HydrophobicContact CG2-CE2 4.48Å; I184-T298 HydrophobicContact CG1-CG2 4.02Å
185	H	98.7	Very high	98.2	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.1	C	C	.	.			trans	-73.3	-38.4	-177.3	-171.3	-82.4	0	0	0	112.3	L174 D187 I188 I263 A264 D265 A269 D301	L174-H185 HydrophobicContact CD2-CB 4.43Å; H185-D187 PolarHBondContact CE1-O 3.15Å; H185-D187 VanDerWaalsContact ND1-C 3.34Å; H185-D187 PolarHBondContact ND1-N 2.96Å; H185-D187 PolarHBondContact ND1-O 3.21Å; H185-D187 PolarHBondContact O-N 3.09Å; H185-I188 HydrophobicContact CB-CD1 3.91Å; H185-I188 HydrophobicContact CB-CG1 3.98Å; H185-I263 WeakPolarHBondContact CD2-CG2 3.38Å; H185-I263 WeakPolarHBondContact NE2-CG2 3.49Å; H185-A264 PolarHBondContact NE2-O 2.92Å; H185-A264 VanDerWaalsContact NE2-O 3.12Å; H185-D265 PolarHBondContact CE1-O 3.4Å; H185-D265 PolarHBondContact NE2-O 2.85Å; H185-A269 WeakPolarHBondContact O-CA 3.36Å; H185-D301 PolarHBondContact N-OD1 2.82Å; H185-D301 PolarHBondContact N-OD2 3.04Å
186	T	98.5	Very high	98	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	11%	0.107	C	C	.	.	S	Bend	trans	66.9	-11.2	176.6	88.1	0	0	0	0	116.8	I184 N268 I280 Q281 Y296 D301	I184-T186 HydrophobicContact CB-CG2 4.11Å; I184-T186 HydrophobicContact CG2-CG2 3.82Å; T186-N268 PolarHBondContact OG1-O 3.29Å; T186-I280 HydrophobicContact CG2-CD1 4.35Å; T186-I280 HydrophobicContact CG2-CG2 4.32Å; T186-Q281 WeakPolarHBondContact O-CA 3.47Å; T186-Q281 WeakPolarHBondContact O-CG 3.45Å; T186-Q281 PolarHBondContact O-N 3.23Å; T186-Y296 HydrophobicContact CG2-CE2 4.22Å; T186-D301 PolarHBondContact N-OD1 2.84Å
187	D	98.4	Very high	97.6	Very high	11 Å²	11	23.8 Å²	23.8	6%	0.059	12%	0.118	C	C	.	.			trans	-140.5	51.3	178.2	-161.7	36.8	0	0	0	113.1	H185 K189 N192 N268 T282	H185-D187 PolarHBondContact CE1-O 3.15Å; H185-D187 VanDerWaalsContact ND1-C 3.34Å; H185-D187 PolarHBondContact ND1-N 2.96Å; H185-D187 PolarHBondContact ND1-O 3.21Å; H185-D187 PolarHBondContact O-N 3.09Å; D187-K189 PolarHBondContact O-N 2.77Å; D187-K189 WeakPolarHBondContact OD2-CE 3.25Å; D187-K189 IonicContact OD2-NZ 3.41Å; D187-N192 PolarHBondContact O-ND2 3.38Å; D187-N192 PolarHBondContact OD2-ND2 3.07Å; D187-N192 VanDerWaalsContact OD2-ND2 3.11Å; D187-N268 HydrophobicContact CB-CB 4.24Å; D187-T282 WeakPolarHBondContact OD1-CB 3.35Å; D187-T282 PolarHBondContact OD1-N 2.91Å; D187-T282 PolarHBondContact OD1-OG1 2.99Å
188	I	98.7	Very high	97.1	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.13	C	C	.	.			trans	-72.6	120.5	174.3	-65.6	-66.6	0	0	0	109.9	L174 H185 I263 D301 S304 M308	L174-I188 HydrophobicContact CD2-CD1 3.95Å; L174-I188 HydrophobicContact CD2-CG1 4.1Å; H185-I188 HydrophobicContact CB-CD1 3.91Å; H185-I188 HydrophobicContact CB-CG1 3.98Å; I188-I263 HydrophobicContact CD1-CD1 4.27Å; I188-I263 HydrophobicContact CD1-CG2 4.01Å; I188-D301 HydrophobicContact CG1-CB 4.24Å; I188-S304 WeakPolarHBondContact O-CB 3.47Å; I188-M308 HydrophobicContact CG2-CE 3.87Å; I188-M308 HydrophobicContact CG2-SD 4.26Å
189	K	98.5	Very high	96.6	Very high	13 Å²	13	29.6 Å²	29.6	6%	0.057	15%	0.154	C	C	.	.	S	Bend	trans	-162.8	164.8	179.1	59.7	-178	-178.7	168	0	110.6	D187 E191 N192 T282 Y285 M308	D187-K189 PolarHBondContact O-N 2.77Å; D187-K189 WeakPolarHBondContact OD2-CE 3.25Å; D187-K189 IonicContact OD2-NZ 3.41Å; K189-E191 WeakPolarHBondContact CD-OE1 3.37Å; K189-E191 HydrophobicContact CG-CB 4.37Å; K189-E191 WeakPolarHBondContact CG-OE2 3.38Å; K189-E191 IonicContact NZ-OE1 3.9Å; K189-E191 PolarHBondContact NZ-OE1 3.14Å; K189-E191 PolarHBondContact O-N 2.81Å; K189-E191 VanDerWaalsContact O-N 3.13Å; K189-N192 HydrophobicContact CG-CB 4.3Å; K189-N192 PolarHBondContact O-N 3.26Å; K189-T282 HydrophobicContact CD-CG2 4.2Å; K189-T282 WeakPolarHBondContact CD-OG1 2.91Å; K189-T282 WeakPolarHBondContact CE-OG1 3.25Å; K189-T282 PolarHBondContact NZ-OG1 2.9Å; K189-Y285 HydrophobicContact CB-CD1 4.35Å; K189-Y285 HydrophobicContact CB-CD2 3.75Å; K189-Y285 HydrophobicContact CB-CE1 4.15Å; K189-Y285 HydrophobicContact CB-CE2 3.48Å; K189-Y285 VanDerWaalsContact CB-CE2 3.48Å; K189-Y285 HydrophobicContact CB-CG 4.18Å; K189-Y285 HydrophobicContact CD-CE2 4.26Å; K189-M308 VanDerWaalsContact C-SD 3.55Å
190	P	98.3	Very high	96.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-52.3	-34.6	-178.6	-28	35.3	0	0	0	114.8	L146 L147 I150 N192 V193 Y285 M308 E311	L146-P190 HydrophobicContact CB-CB 3.91Å; L146-P190 WeakPolarHBondContact CB-O 3.32Å; L146-P190 PolarHBondContact N-O 3.46Å; L147-P190 HydrophobicContact CB-CB 4.11Å; I150-P190 HydrophobicContact CD1-CB 3.95Å; I150-P190 HydrophobicContact CD1-CG 3.77Å; P190-N192 VanDerWaalsContact C-N 3.27Å; P190-N192 PolarHBondContact O-N 2.99Å; P190-V193 PolarHBondContact O-N 3.25Å; P190-Y285 WeakPolarHBondContact CD-OH 3.26Å; P190-M308 HydrophobicContact CG-CG 4Å; P190-M308 HydrophobicContact CG-SD 4.48Å; P190-E311 WeakPolarHBondContact CG-OE2 3.43Å
191	E	96.2	Very high	95.8	Very high	44 Å²	44	28.2 Å²	28.2	21%	0.206	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-66.1	-28.8	-179.8	-56.7	95.6	107.3	0	0	113.1	N145 L147 K189	N145-E191 VanDerWaalsContact CB-O 3.25Å; N145-E191 WeakPolarHBondContact CB-O 3.3Å; L147-E191 HydrophobicContact CB-CG 4.06Å; L147-E191 HydrophobicContact CD2-CG 3.67Å; L147-E191 HydrophobicContact CG-CG 4.48Å; K189-E191 WeakPolarHBondContact CD-OE1 3.37Å; K189-E191 HydrophobicContact CG-CB 4.37Å; K189-E191 WeakPolarHBondContact CG-OE2 3.38Å; K189-E191 IonicContact NZ-OE1 3.9Å; K189-E191 PolarHBondContact NZ-OE1 3.14Å; K189-E191 PolarHBondContact O-N 2.81Å; K189-E191 VanDerWaalsContact O-N 3.13Å
192	N	97.6	Very high	95.5	Very high	13 Å²	13	28.4 Å²	28.4	7%	0.07	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-98.9	9.6	-176	-68.5	-15.6	0	0	0	112.7	D187 K189 P190 A264	D187-N192 PolarHBondContact O-ND2 3.38Å; D187-N192 PolarHBondContact OD2-ND2 3.07Å; D187-N192 VanDerWaalsContact OD2-ND2 3.11Å; K189-N192 HydrophobicContact CG-CB 4.3Å; K189-N192 PolarHBondContact O-N 3.26Å; P190-N192 VanDerWaalsContact C-N 3.27Å; P190-N192 PolarHBondContact O-N 2.99Å; N192-A264 PolarHBondContact O-N 3.17Å
193	V	98.3	Very high	95.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.8	171.9	-178.1	0	0	0	0	108.6	N145 L146 V170 P190 V261 M308	N145-V193 CarbonylContact C-O 3.59Å; N145-V193 VanDerWaalsContact CA-O 3.26Å; N145-V193 WeakPolarHBondContact CA-O 3.05Å; L146-V193 HydrophobicContact CD1-CB 3.67Å; L146-V193 HydrophobicContact CD1-CG1 3.53Å; L146-V193 HydrophobicContact CD1-CG2 4.43Å; L146-V193 HydrophobicContact CG-CB 3.94Å; L146-V193 HydrophobicContact CG-CG1 3.9Å; L146-V193 PolarHBondContact N-O 3.09Å; V170-V193 HydrophobicContact CG2-CG1 4Å; V170-V193 HydrophobicContact CG2-CG2 4.06Å; P190-V193 PolarHBondContact O-N 3.25Å; V193-V261 HydrophobicContact CG1-CB 3.72Å; V193-V261 HydrophobicContact CG1-CG1 4.16Å; V193-V261 HydrophobicContact CG1-CG2 4.05Å; V193-M308 HydrophobicContact CG2-CE 4.19Å; V193-M308 HydrophobicContact CG2-SD 3.99Å
194	L	97.6	Very high	94.8	Very high	36 Å²	36	31 Å²	31	19%	0.188	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.7	-174	-57.7	-176.9	0	0	0	111.4	L142 N145 V261 K262 A264	L142-L194 HydrophobicContact CB-CB 3.86Å; L142-L194 HydrophobicContact CB-CD1 3.97Å; L142-L194 HydrophobicContact CD1-CB 3.92Å; L142-L194 HydrophobicContact CD1-CD1 3.9Å; L142-L194 HydrophobicContact CD1-CG 4.49Å; L142-L194 HydrophobicContact CG-CB 4.47Å; N145-L194 HydrophobicContact CB-CD2 3.61Å; L194-V261 CarbonylContact O-C 3.44Å; L194-V261 VanDerWaalsContact O-CA 3.25Å; L194-V261 WeakPolarHBondContact O-CA 3.33Å; L194-K262 PolarHBondContact N-O 3.45Å; L194-K262 PolarHBondContact O-N 3.24Å; L194-A264 HydrophobicContact CD1-CB 3.59Å; L194-A264 HydrophobicContact CG-CB 3.72Å
195	I	96.4	Very high	94.3	Very high	28 Å²	28	32.3 Å²	32.3	14%	0.144	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	130.8	176.2	-57.1	173.1	0	0	0	109.1	G143 D144 L146 L259 E260 V261	G143-I195 WeakPolarHBondContact CA-O 3.09Å; G143-I195 PolarHBondContact N-O 3.33Å; D144-I195 WeakPolarHBondContact O-CG1 3.08Å; D144-I195 PolarHBondContact O-N 2.97Å; L146-I195 HydrophobicContact CD2-CD1 4.23Å; L146-I195 HydrophobicContact CD2-CG1 3.95Å; I195-L259 HydrophobicContact CD1-CD1 4.18Å; I195-L259 HydrophobicContact CG1-CD2 4.13Å; I195-L259 HydrophobicContact CG2-CD2 4.12Å; I195-L259 HydrophobicContact CG2-CG 4Å; I195-E260 CarbonylContact C-O 3.57Å; I195-E260 WeakPolarHBondContact CA-O 3.48Å; I195-V261 HydrophobicContact CG1-CG1 4.49Å
196	C	95.2	Very high	93.9	Very high	32 Å²	32	32.3 Å²	32.3	22%	0.216	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	134.8	173.5	-65	0	0	0	0	110.8	L142 E260	L142-C196 HydrophobicContact CD2-CB 4.42Å; C196-E260 HydrophobicContact CB-CB 3.85Å; C196-E260 PolarHBondContact N-O 3.2Å
197	K	89.6	Confident	93.4	Very high	54 Å²	54	36.2 Å²	36.2	24%	0.235	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-96.7	141.9	172	-84.9	-174.9	173.6	178.4	0	111.3	V202 M205	K197-V202 HydrophobicContact CB-CG2 3.92Å; K197-M205 HydrophobicContact CD-CE 4.19Å
198	D	88.1	Confident	93	Very high	47 Å²	47	38.6 Å²	38.6	25%	0.251	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-64.1	138.4	168.8	-173.7	-77.2	0	0	0	109.4	S200 E201 V202 R257	D198-S200 PolarHBondContact O-N 2.94Å; D198-S200 VanDerWaalsContact O-N 3.08Å; D198-S200 WeakPolarHBondContact OD1-CB 3.29Å; D198-S200 PolarHBondContact OD1-N 2.93Å; D198-S200 PolarHBondContact OD1-OG 3.02Å; D198-E201 HydrophobicContact CB-CG 4.26Å; D198-E201 WeakPolarHBondContact O-CB 3.3Å; D198-E201 PolarHBondContact O-N 2.83Å; D198-V202 PolarHBondContact O-N 3.38Å; D198-R257 IonicContact OD2-CZ 2.55Å; D198-R257 IonicContact OD2-NH1 2.87Å; D198-R257 PolarHBondContact OD2-NH1 2.84Å; D198-R257 IonicContact OD2-NH2 3.47Å; D198-R257 PolarHBondContact OD2-NH2 2.99Å
199	P	88.1	Confident	92.4	Very high	93 Å²	93	38.6 Å²	38.6	60%	0.604	21%	0.205	S	C	*	.	H	α-helix	trans	-51	-33.4	176.9	-29.7	35.9	0	0	0	114.3	V202 I203	P199-V202 PolarHBondContact O-N 2.65Å; P199-I203 WeakPolarHBondContact O-CD1 3.44Å; P199-I203 VanDerWaalsContact O-CG1 3.29Å; P199-I203 WeakPolarHBondContact O-CG1 3.27Å; P199-I203 PolarHBondContact O-N 3.01Å
200	S	89.7	Confident	91.7	Very high	44 Å²	44	38.7 Å²	38.7	31%	0.308	21%	0.206	S	C	.	.	H	α-helix	trans	-63.1	-38.5	175.2	62.4	0	0	0	0	112.8	D198 V202 I203 D204	D198-S200 PolarHBondContact O-N 2.94Å; D198-S200 VanDerWaalsContact O-N 3.08Å; D198-S200 WeakPolarHBondContact OD1-CB 3.29Å; D198-S200 PolarHBondContact OD1-N 2.93Å; D198-S200 PolarHBondContact OD1-OG 3.02Å; S200-V202 VanDerWaalsContact C-N 3.34Å; S200-V202 PolarHBondContact O-N 3.22Å; S200-I203 WeakPolarHBondContact O-CB 3.47Å; S200-I203 PolarHBondContact O-N 3.2Å; S200-D204 VanDerWaalsContact O-CG 3.31Å; S200-D204 PolarHBondContact O-N 2.83Å
201	E	90.2	Very high	91	Very high	71 Å²	71	43.5 Å²	43.5	33%	0.332	23%	0.231	S	C	.	.	H	α-helix	trans	-70.3	-33.5	178.3	-64.2	178.9	-173.7	0	0	111.6	D198 M205 R254	D198-E201 HydrophobicContact CB-CG 4.26Å; D198-E201 WeakPolarHBondContact O-CB 3.3Å; D198-E201 PolarHBondContact O-N 2.83Å; E201-M205 WeakPolarHBondContact O-CB 3.43Å; E201-M205 PolarHBondContact O-N 2.67Å; E201-R254 IonicContact OE1-CZ 3.75Å; E201-R254 IonicContact OE1-NH1 3.9Å; E201-R254 PolarHBondContact OE1-NH1 2.96Å
202	V	90.9	Very high	90.4	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-42.2	172.7	-177	0	0	0	0	110.9	L70 F79 V141 K197 D198 P199 S200 M205 A206	L70-V202 HydrophobicContact CD1-CG1 4.1Å; F79-V202 HydrophobicContact CB-CG1 3.62Å; F79-V202 HydrophobicContact CD1-CG1 4.38Å; F79-V202 HydrophobicContact CD2-CG1 3.87Å; F79-V202 HydrophobicContact CG-CG1 3.69Å; V141-V202 HydrophobicContact CB-CG1 4.3Å; V141-V202 HydrophobicContact CB-CG2 4.27Å; V141-V202 HydrophobicContact CG1-CG1 3.97Å; V141-V202 HydrophobicContact CG1-CG2 3.82Å; V141-V202 HydrophobicContact CG2-CG1 4.32Å; K197-V202 HydrophobicContact CB-CG2 3.92Å; D198-V202 PolarHBondContact O-N 3.38Å; P199-V202 PolarHBondContact O-N 2.65Å; S200-V202 VanDerWaalsContact C-N 3.34Å; S200-V202 PolarHBondContact O-N 3.22Å; V202-M205 PolarHBondContact O-N 3.28Å; V202-A206 WeakPolarHBondContact O-CB 3.26Å; V202-A206 PolarHBondContact O-N 3.24Å
203	I	91.8	Very high	89.4	Confident	61 Å²	61	44.2 Å²	44.2	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-59.9	-47.7	174.5	-71.5	160.8	0	0	0	110.6	F79 P199 S200 M205 A206 K207	F79-I203 HydrophobicContact CD2-CG1 4.39Å; F79-I203 HydrophobicContact CE2-CB 4.48Å; F79-I203 HydrophobicContact CE2-CG1 3.68Å; P199-I203 WeakPolarHBondContact O-CD1 3.44Å; P199-I203 VanDerWaalsContact O-CG1 3.29Å; P199-I203 WeakPolarHBondContact O-CG1 3.27Å; P199-I203 PolarHBondContact O-N 3.01Å; S200-I203 WeakPolarHBondContact O-CB 3.47Å; S200-I203 PolarHBondContact O-N 3.2Å; I203-M205 VanDerWaalsContact C-N 3.33Å; I203-M205 PolarHBondContact O-N 3.13Å; I203-A206 PolarHBondContact O-N 3.18Å; I203-K207 HydrophobicContact CG2-CD 3.88Å; I203-K207 HydrophobicContact CG2-CG 4.31Å; I203-K207 WeakPolarHBondContact O-CB 3.46Å; I203-K207 WeakPolarHBondContact O-CG 3.26Å; I203-K207 PolarHBondContact O-N 3.33Å
204	D	91	Very high	88.5	Confident	94 Å²	94	49.2 Å²	49.2	50%	0.503	26%	0.256	S	S	.	.	H	α-helix	trans	-63	-41.5	-179.8	-72.6	-16.7	0	0	0	111.2	S200 A206 K207 D208	S200-D204 VanDerWaalsContact O-CG 3.31Å; S200-D204 PolarHBondContact O-N 2.83Å; D204-A206 PolarHBondContact O-N 3.38Å; D204-K207 PolarHBondContact O-N 3.1Å; D204-D208 VanDerWaalsContact O-CB 3.3Å; D204-D208 WeakPolarHBondContact O-CB 3.49Å; D204-D208 PolarHBondContact O-N 2.93Å
205	M	88.6	Confident	87.6	Confident	26 Å²	26	53.6 Å²	53.6	13%	0.128	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-43.7	174.5	-172.7	-168.6	-57.1	0	0	112.5	R58 M60 L70 K197 E201 V202 I203 T209	R58-M205 VanDerWaalsContact NH1-CG 3.3Å; M60-M205 HydrophobicContact CE-CE 4.17Å; M60-M205 HydrophobicContact CE-SD 3.79Å; M60-M205 HydrophobicContact SD-SD 3.67Å; M60-M205 VanDerWaalsContact SD-SD 3.67Å; L70-M205 HydrophobicContact CD2-SD 4.4Å; K197-M205 HydrophobicContact CD-CE 4.19Å; E201-M205 WeakPolarHBondContact O-CB 3.43Å; E201-M205 PolarHBondContact O-N 2.67Å; V202-M205 PolarHBondContact O-N 3.28Å; I203-M205 VanDerWaalsContact C-N 3.33Å; I203-M205 PolarHBondContact O-N 3.13Å; M205-T209 WeakPolarHBondContact O-CB 3.37Å; M205-T209 PolarHBondContact O-N 3.36Å; M205-T209 VanDerWaalsContact O-N 3.08Å; M205-T209 PolarHBondContact O-OG1 3.38Å
206	A	90	Very high	86.7	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-47.2	177.1	0	0	0	0	0	111	I57 L70 F79 V202 I203 D204 D208 T209 L210	I57-A206 HydrophobicContact CD1-CB 4.35Å; I57-A206 HydrophobicContact CG2-CB 4.25Å; L70-A206 HydrophobicContact CD2-CB 4.24Å; F79-A206 HydrophobicContact CD1-CB 4.27Å; F79-A206 HydrophobicContact CE1-CB 3.37Å; F79-A206 HydrophobicContact CZ-CB 3.57Å; V202-A206 WeakPolarHBondContact O-CB 3.26Å; V202-A206 PolarHBondContact O-N 3.24Å; I203-A206 PolarHBondContact O-N 3.18Å; D204-A206 PolarHBondContact O-N 3.38Å; A206-D208 PolarHBondContact O-N 3.11Å; A206-T209 PolarHBondContact O-N 2.82Å; A206-L210 WeakPolarHBondContact O-CB 3.29Å; A206-L210 VanDerWaalsContact O-CG 3.27Å; A206-L210 WeakPolarHBondContact O-CG 3.47Å; A206-L210 PolarHBondContact O-N 3.41Å
207	K	89.3	Confident	85.6	Confident	84 Å²	84	58.4 Å²	58.4	37%	0.365	31%	0.314	S	S	.	.	H	α-helix	trans	-60	-46.6	178.1	-76.1	177.6	177.8	175.8	0	112.2	I203 D204 T209 L210 L211	I203-K207 HydrophobicContact CG2-CD 3.88Å; I203-K207 HydrophobicContact CG2-CG 4.31Å; I203-K207 WeakPolarHBondContact O-CB 3.46Å; I203-K207 WeakPolarHBondContact O-CG 3.26Å; I203-K207 PolarHBondContact O-N 3.33Å; D204-K207 PolarHBondContact O-N 3.1Å; K207-T209 VanDerWaalsContact C-N 3.32Å; K207-T209 PolarHBondContact O-N 2.87Å; K207-L210 PolarHBondContact O-N 3.33Å; K207-L211 WeakPolarHBondContact O-CB 3.33Å; K207-L211 PolarHBondContact O-N 2.92Å
208	D	88.5	Confident	84.5	Confident	62 Å²	62	65.6 Å²	65.6	33%	0.332	35%	0.346	S	S	.	.	H	α-helix	trans	-57.9	-45.7	176.2	173.4	67.5	0	0	0	111.2	D204 A206 L211 K212	D204-D208 VanDerWaalsContact O-CB 3.3Å; D204-D208 WeakPolarHBondContact O-CB 3.49Å; D204-D208 PolarHBondContact O-N 2.93Å; A206-D208 PolarHBondContact O-N 3.11Å; D208-L211 PolarHBondContact O-N 2.55Å; D208-K212 VanDerWaalsContact CG-NZ 3.32Å; D208-K212 WeakPolarHBondContact O-CB 3.47Å; D208-K212 WeakPolarHBondContact O-CG 3.21Å; D208-K212 PolarHBondContact O-N 3.02Å; D208-K212 WeakPolarHBondContact OD1-CE 3.42Å; D208-K212 IonicContact OD1-NZ 2.77Å; D208-K212 PolarHBondContact OD1-NZ 3.02Å; D208-K212 VanDerWaalsContact OD1-NZ 3.15Å; D208-K212 WeakPolarHBondContact OD2-CE 3.26Å; D208-K212 IonicContact OD2-NZ 3.86Å; D208-K212 PolarHBondContact OD2-NZ 2.72Å
209	T	87	Confident	83.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.7	-47.9	177.8	-55.7	0	0	0	0	111.4	I57 R58 M205 A206 K207 L211 K212 C213 L219	I57-T209 HydrophobicContact CG2-CG2 4.38Å; I57-T209 VanDerWaalsContact O-CG2 3.27Å; I57-T209 WeakPolarHBondContact O-CG2 3.45Å; R58-T209 HydrophobicContact CB-CG2 3.9Å; R58-T209 WeakPolarHBondContact CD-OG1 3.32Å; R58-T209 HydrophobicContact CG-CG2 3.86Å; M205-T209 WeakPolarHBondContact O-CB 3.37Å; M205-T209 PolarHBondContact O-N 3.36Å; M205-T209 VanDerWaalsContact O-N 3.08Å; M205-T209 PolarHBondContact O-OG1 3.38Å; A206-T209 PolarHBondContact O-N 2.82Å; K207-T209 VanDerWaalsContact C-N 3.32Å; K207-T209 PolarHBondContact O-N 2.87Å; T209-L211 VanDerWaalsContact C-N 3.34Å; T209-L211 PolarHBondContact O-N 3.13Å; T209-K212 PolarHBondContact O-N 3.5Å; T209-C213 WeakPolarHBondContact O-CB 3.42Å; T209-C213 PolarHBondContact O-N 2.97Å; T209-C213 PolarHBondContact O-SG 2.97Å; T209-C213 VanDerWaalsContact O-SG 3.39Å; T209-L219 HydrophobicContact CG2-CD1 3.75Å; T209-L219 HydrophobicContact CG2-CD2 3.86Å; T209-L219 HydrophobicContact CG2-CG 4.48Å
210	L	83.1	Confident	82	Confident	16 Å²	16	63.9 Å²	63.9	8%	0.084	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-37.5	179.9	-68.3	-178.8	0	0	0	112.2	I57 A206 K207 C213 K214 F235 L239	I57-L210 HydrophobicContact CG2-CD2 4.06Å; I57-L210 HydrophobicContact CG2-CG 4.17Å; A206-L210 WeakPolarHBondContact O-CB 3.29Å; A206-L210 VanDerWaalsContact O-CG 3.27Å; A206-L210 WeakPolarHBondContact O-CG 3.47Å; A206-L210 PolarHBondContact O-N 3.41Å; K207-L210 PolarHBondContact O-N 3.33Å; L210-C213 WeakPolarHBondContact O-CB 3.12Å; L210-C213 PolarHBondContact O-N 3.18Å; L210-K214 WeakPolarHBondContact O-CG 3.38Å; L210-K214 PolarHBondContact O-N 3.11Å; L210-F235 HydrophobicContact CD1-CD1 4.11Å; L210-F235 HydrophobicContact CD1-CE1 4.28Å; L210-F235 HydrophobicContact CD2-CD1 4.2Å; L210-F235 HydrophobicContact CD2-CE1 3.64Å; L210-F235 HydrophobicContact CG-CE1 4.38Å; L210-L239 HydrophobicContact CD1-CD1 4.16Å
211	L	84.7	Confident	80.4	Confident	101 Å²	101	63.4 Å²	63.4	53%	0.529	33%	0.333	S	S	.	.	H	α-helix	trans	-65.7	-48.1	175.8	-178.1	62.1	0	0	0	111.2	K207 D208 T209 C213 K214 M215	K207-L211 WeakPolarHBondContact O-CB 3.33Å; K207-L211 PolarHBondContact O-N 2.92Å; D208-L211 PolarHBondContact O-N 2.55Å; T209-L211 VanDerWaalsContact C-N 3.34Å; T209-L211 PolarHBondContact O-N 3.13Å; L211-C213 VanDerWaalsContact C-N 3.28Å; L211-C213 PolarHBondContact O-N 2.66Å; L211-K214 WeakPolarHBondContact O-CB 3.15Å; L211-K214 PolarHBondContact O-N 3.43Å; L211-K214 VanDerWaalsContact O-N 3.12Å; L211-M215 HydrophobicContact CD1-CG 4.45Å; L211-M215 HydrophobicContact CD1-SD 4.24Å; L211-M215 HydrophobicContact CG-SD 4.1Å; L211-M215 WeakPolarHBondContact O-CG 3.39Å; L211-M215 PolarHBondContact O-N 2.89Å
212	K	82	Confident	78.5	Confident	62 Å²	62	60.9 Å²	60.9	27%	0.27	32%	0.323	S	S	.	.	H	α-helix	trans	-57.7	-41.4	175.1	-75.9	171.8	178.7	163.8	0	111.7	D208 T209 M215 G216 M217 L219	D208-K212 VanDerWaalsContact CG-NZ 3.32Å; D208-K212 WeakPolarHBondContact O-CB 3.47Å; D208-K212 WeakPolarHBondContact O-CG 3.21Å; D208-K212 PolarHBondContact O-N 3.02Å; D208-K212 WeakPolarHBondContact OD1-CE 3.42Å; D208-K212 IonicContact OD1-NZ 2.77Å; D208-K212 PolarHBondContact OD1-NZ 3.02Å; D208-K212 VanDerWaalsContact OD1-NZ 3.15Å; D208-K212 WeakPolarHBondContact OD2-CE 3.26Å; D208-K212 IonicContact OD2-NZ 3.86Å; D208-K212 PolarHBondContact OD2-NZ 2.72Å; T209-K212 PolarHBondContact O-N 3.5Å; K212-M215 CarbonylContact O-C 3.59Å; K212-M215 PolarHBondContact O-N 3.48Å; K212-G216 PolarHBondContact O-N 3.11Å; K212-G216 VanDerWaalsContact O-N 3.14Å; K212-M217 HydrophobicContact CB-CB 4.14Å; K212-M217 HydrophobicContact CG-CB 4.41Å; K212-M217 HydrophobicContact CG-SD 4.21Å; K212-M217 PolarHBondContact O-N 3.09Å; K212-L219 HydrophobicContact CB-CD2 3.65Å; K212-L219 HydrophobicContact CD-CD2 3.85Å; K212-L219 HydrophobicContact CG-CD2 4.4Å
213	C	78.6	Confident	76.1	Confident	9 Å²	9	64.3 Å²	64.3	6%	0.061	35%	0.352	C	S	.	.	H	α-helix	trans	-59.8	-46.3	173.4	-80.2	0	0	0	0	112.8	T209 L210 L211 M215 G216 C226	T209-C213 WeakPolarHBondContact O-CB 3.42Å; T209-C213 PolarHBondContact O-N 2.97Å; T209-C213 PolarHBondContact O-SG 2.97Å; T209-C213 VanDerWaalsContact O-SG 3.39Å; L210-C213 WeakPolarHBondContact O-CB 3.12Å; L210-C213 PolarHBondContact O-N 3.18Å; L211-C213 VanDerWaalsContact C-N 3.28Å; L211-C213 PolarHBondContact O-N 2.66Å; C213-M215 VanDerWaalsContact C-N 3.27Å; C213-M215 PolarHBondContact O-N 3.23Å; C213-G216 PolarHBondContact O-N 3.12Å; C213-G216 VanDerWaalsContact O-N 3.16Å; C213-C226 HydrophobicContact CB-CB 4.45Å; C213-C226 VanDerWaalsContact CB-SG 3.51Å; C213-C226 VanDerWaalsContact SG-SG 3.7Å
214	K	77.6	Confident	73.7	Confident	105 Å²	105	63 Å²	63	46%	0.457	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-35.1	176.4	-75.7	176.6	179.1	177.4	0	112.2	L210 L211 G216 F235	L210-K214 WeakPolarHBondContact O-CG 3.38Å; L210-K214 PolarHBondContact O-N 3.11Å; L211-K214 WeakPolarHBondContact O-CB 3.15Å; L211-K214 PolarHBondContact O-N 3.43Å; L211-K214 VanDerWaalsContact O-N 3.12Å; K214-G216 VanDerWaalsContact C-N 3.27Å; K214-G216 PolarHBondContact O-N 2.93Å; K214-F235 HydrophobicContact CD-CE2 4.37Å; K214-F235 HydrophobicContact CG-CE2 4.5Å; K214-F235 HydrophobicContact CG-CZ 4.41Å
215	M	80.2	Confident	71.3	Confident	128 Å²	128	69.5 Å²	69.5	63%	0.631	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-1.5	178.1	-65.5	-179	73.1	0	0	113.7	L211 K212 C213 M217	L211-M215 HydrophobicContact CD1-CG 4.45Å; L211-M215 HydrophobicContact CD1-SD 4.24Å; L211-M215 HydrophobicContact CG-SD 4.1Å; L211-M215 WeakPolarHBondContact O-CG 3.39Å; L211-M215 PolarHBondContact O-N 2.89Å; K212-M215 CarbonylContact O-C 3.59Å; K212-M215 PolarHBondContact O-N 3.48Å; C213-M215 VanDerWaalsContact C-N 3.27Å; C213-M215 PolarHBondContact O-N 3.23Å; M215-M217 HydrophobicContact CB-CG 3.9Å; M215-M217 HydrophobicContact CB-SD 4.19Å; M215-M217 HydrophobicContact CE-SD 4.35Å; M215-M217 PolarHBondContact O-N 3.42Å; M215-M217 HydrophobicContact SD-SD 4.27Å
216	G	76.2	Confident	69	Low	66 Å²	66	69.8 Å²	69.8	68%	0.68	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	19.8	-176.6	0	0	0	0	0	113.8	K212 C213 K214	K212-G216 PolarHBondContact O-N 3.11Å; K212-G216 VanDerWaalsContact O-N 3.14Å; C213-G216 PolarHBondContact O-N 3.12Å; C213-G216 VanDerWaalsContact O-N 3.16Å; K214-G216 VanDerWaalsContact C-N 3.27Å; K214-G216 PolarHBondContact O-N 2.93Å
217	M	73.4	Confident	66.9	Low	96 Å²	96	72 Å²	72	47%	0.473	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-75.6	148.9	178.2	-64.9	179.8	72.7	0	0	110.6	K212 M215	K212-M217 HydrophobicContact CB-CB 4.14Å; K212-M217 HydrophobicContact CG-CB 4.41Å; K212-M217 HydrophobicContact CG-SD 4.21Å; K212-M217 PolarHBondContact O-N 3.09Å; M215-M217 HydrophobicContact CB-CG 3.9Å; M215-M217 HydrophobicContact CB-SD 4.19Å; M215-M217 HydrophobicContact CE-SD 4.35Å; M215-M217 PolarHBondContact O-N 3.42Å; M215-M217 HydrophobicContact SD-SD 4.27Å
218	K	66.5	Low	64.7	Low	204 Å²	204	77 Å²	77	89%	0.887	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-67.3	136.9	168.2	-72.9	-173.3	178.1	-176.9	0	109.5
219	L	65.9	Low	62.7	Low	21 Å²	21	76.8 Å²	76.8	11%	0.11	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-93.4	131.7	171.4	-69.5	169.6	0	0	0	108.3	L46 T209 K212 V221 S222	L46-L219 HydrophobicContact CD1-CD1 3.35Å; T209-L219 HydrophobicContact CG2-CD1 3.75Å; T209-L219 HydrophobicContact CG2-CD2 3.86Å; T209-L219 HydrophobicContact CG2-CG 4.48Å; K212-L219 HydrophobicContact CB-CD2 3.65Å; K212-L219 HydrophobicContact CD-CD2 3.85Å; K212-L219 HydrophobicContact CG-CD2 4.4Å; L219-V221 PolarHBondContact O-N 3.18Å; L219-V221 VanDerWaalsContact O-N 3.09Å; L219-S222 PolarHBondContact O-N 3.35Å
220	S	57.9	Low	60.8	Low	84 Å²	84	77.2 Å²	77.2	59%	0.587	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20	-174.5	58.2	0	0	0	0	114.5
221	V	55	Low	58.9	Low	34 Å²	34	80.2 Å²	80.2	21%	0.206	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	8.7	-175.8	-155.2	0	0	0	0	112.2	Q30 L219	Q30-V221 PolarHBondContact NE2-O 2.97Å; L219-V221 PolarHBondContact O-N 3.18Å; L219-V221 VanDerWaalsContact O-N 3.09Å
222	S	50	Low	57	Low	18 Å²	18	81.9 Å²	81.9	13%	0.126	45%	0.448	C	S	.	.			trans	-138.3	108.9	-169.3	162.4	0	0	0	0	111.7	L219 A224	L219-S222 PolarHBondContact O-N 3.35Å; S222-A224 PolarHBondContact O-N 3.12Å; S222-A224 WeakPolarHBondContact OG-CB 3.12Å; S222-A224 PolarHBondContact OG-N 3.15Å; S222-A224 VanDerWaalsContact OG-N 3.16Å; S222-A224 PolarHBondContact OG-O 3.19Å
223	A	40.4	Very low	55.3	Low	78 Å²	78	84 Å²	84	65%	0.645	46%	0.462	S	S	*	.			trans	-66.4	-11.9	160.4	0	0	0	0	0	112.7	Q30 R225	Q30-A223 HydrophobicContact CG-CB 3.88Å; A223-R225 PolarHBondContact O-N 2.94Å
224	A	42.3	Very low	54	Low	35 Å²	35	89.1 Å²	89.1	29%	0.289	50%	0.499	S	S	.	.	S	Bend	trans	-69.5	118.9	173	0	0	0	0	0	109.4	S222 C226	S222-A224 PolarHBondContact O-N 3.12Å; S222-A224 WeakPolarHBondContact OG-CB 3.12Å; S222-A224 PolarHBondContact OG-N 3.15Å; S222-A224 VanDerWaalsContact OG-N 3.16Å; S222-A224 PolarHBondContact OG-O 3.19Å; A224-C226 PolarHBondContact O-N 3.1Å
225	R	40.5	Very low	52.9	Low	230 Å²	230	85 Å²	85	87%	0.868	48%	0.481	S	S	*	.			trans	-63.7	129.1	164.3	-66.7	-178.5	-156.1	-135.7	2.7	106.9	A223 P227	A223-R225 PolarHBondContact O-N 2.94Å; R225-P227 WeakPolarHBondContact O-CD 3.48Å
226	C	41.2	Very low	51.7	Low	32 Å²	32	80.2 Å²	80.2	22%	0.216	46%	0.459	C	S	.	.			trans	-51.1	114.4	167.5	-177.9	0	0	0	0	108.4	C213 A224 K228 L230	C213-C226 HydrophobicContact CB-CB 4.45Å; C213-C226 VanDerWaalsContact CB-SG 3.51Å; C213-C226 VanDerWaalsContact SG-SG 3.7Å; A224-C226 PolarHBondContact O-N 3.1Å; C226-K228 PolarHBondContact O-N 3.4Å; C226-L230 WeakPolarHBondContact SG-CD1 3.2Å
227	P	46.1	Very low	50.7	Low	47 Å²	47	80.9 Å²	80.9	31%	0.305	46%	0.458	S	S	.	.			trans	-59.4	135.5	174.9	-22.2	33.2	0	0	0	108.3	R225 A229 L230	R225-P227 WeakPolarHBondContact O-CD 3.48Å; P227-A229 HydrophobicContact CB-CB 4.44Å; P227-A229 PolarHBondContact O-N 3.21Å; P227-L230 PolarHBondContact O-N 3.34Å
228	K	42.6	Very low	49.8	Very low	189 Å²	189	81.6 Å²	81.6	82%	0.822	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-53.1	-15.5	173.3	-70.4	-176.3	178.9	-179.6	0	112.5	C226 L230 C231	C226-K228 PolarHBondContact O-N 3.4Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 3.31Å; K228-C231 PolarHBondContact O-N 3.36Å; K228-C231 PolarHBondContact O-SG 3.41Å
229	A	45.4	Very low	49.3	Very low	57 Å²	57	73.3 Å²	73.3	47%	0.471	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-66	-25.6	173.6	0	0	0	0	0	114.5	P227 C231 N232 N233	P227-A229 HydrophobicContact CB-CB 4.44Å; P227-A229 PolarHBondContact O-N 3.21Å; A229-C231 PolarHBondContact O-N 3.29Å; A229-N232 PolarHBondContact O-N 3.5Å; A229-N232 VanDerWaalsContact O-N 3.1Å; A229-N233 PolarHBondContact O-N 3.4Å
230	L	48	Very low	48.7	Very low	10 Å²	10	76.3 Å²	76.3	5%	0.052	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-65	-24.4	177.7	-90.8	161.4	0	0	0	113.3	L46 Y55 C226 P227 K228 N232 F235	L46-L230 HydrophobicContact CB-CD1 3.65Å; L46-L230 WeakPolarHBondContact O-CD1 3.23Å; Y55-L230 WeakPolarHBondContact OH-CD2 3.38Å; C226-L230 WeakPolarHBondContact SG-CD1 3.2Å; P227-L230 PolarHBondContact O-N 3.34Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 3.31Å; L230-N232 VanDerWaalsContact C-N 3.3Å; L230-F235 HydrophobicContact CD2-CE1 4.45Å; L230-F235 WeakPolarHBondContact O-CZ 3.42Å
231	C	43.2	Very low	48	Very low	78 Å²	78	74.2 Å²	74.2	53%	0.527	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-79.4	-12.2	176.3	64.3	0	0	0	0	113.7	K228 A229	K228-C231 PolarHBondContact O-N 3.36Å; K228-C231 PolarHBondContact O-SG 3.41Å; A229-C231 PolarHBondContact O-N 3.29Å
232	N	44	Very low	47.1	Very low	137 Å²	137	78.6 Å²	78.6	73%	0.733	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-17.5	-177.5	-73	-6.1	0	0	0	114.6	A229 L230	A229-N232 PolarHBondContact O-N 3.5Å; A229-N232 VanDerWaalsContact O-N 3.1Å; L230-N232 VanDerWaalsContact C-N 3.3Å
233	N	47.5	Very low	46.6	Very low	105 Å²	105	82.4 Å²	82.4	56%	0.561	49%	0.489	S	S	*	.	S	Bend	trans	-82.6	122.9	174.9	-76	-8.5	0	0	0	110	A229 F235	A229-N233 PolarHBondContact O-N 3.4Å; N233-F235 PolarHBondContact O-N 3.34Å
234	S	49.9	Very low	46.3	Very low	118 Å²	118	84.4 Å²	84.4	83%	0.825	49%	0.494	S	S	*	.			trans	-55	106.7	172.2	42.8	0	0	0	0	109.5
235	F	54.6	Low	45.7	Very low	18 Å²	18	89 Å²	89	8%	0.079	52%	0.519	C	S	.	.			trans	-48.3	155.7	169.6	-65.6	-81.6	0	0	0	110.4	L210 K214 L230 N233 A237	L210-F235 HydrophobicContact CD1-CD1 4.11Å; L210-F235 HydrophobicContact CD1-CE1 4.28Å; L210-F235 HydrophobicContact CD2-CD1 4.2Å; L210-F235 HydrophobicContact CD2-CE1 3.64Å; L210-F235 HydrophobicContact CG-CE1 4.38Å; K214-F235 HydrophobicContact CD-CE2 4.37Å; K214-F235 HydrophobicContact CG-CE2 4.5Å; K214-F235 HydrophobicContact CG-CZ 4.41Å; L230-F235 HydrophobicContact CD2-CE1 4.45Å; L230-F235 WeakPolarHBondContact O-CZ 3.42Å; N233-F235 PolarHBondContact O-N 3.34Å; F235-A237 PolarHBondContact O-N 2.86Å
236	P	55.2	Low	45.4	Very low	27 Å²	27	84.1 Å²	84.1	18%	0.175	51%	0.514	C	S	.	.			trans	-44.8	116.3	164.6	-24.2	32.2	0	0	0	107.8	E238 L239	P236-E238 PolarHBondContact O-N 2.84Å; P236-L239 HydrophobicContact CB-CD1 4.31Å; P236-L239 HydrophobicContact CB-CG 4.47Å; P236-L239 HydrophobicContact CG-CD1 4.11Å; P236-L239 PolarHBondContact O-N 3.37Å
237	A	55.2	Low	44.8	Very low	81 Å²	81	87.9 Å²	87.9	67%	0.669	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-55.2	-25.8	-170.7	0	0	0	0	0	111.6	F235 L239 N240	F235-A237 PolarHBondContact O-N 2.86Å; A237-L239 VanDerWaalsContact C-N 3.3Å; A237-L239 PolarHBondContact O-N 3.28Å; A237-N240 WeakPolarHBondContact O-CB 3.49Å; A237-N240 PolarHBondContact O-N 3.1Å
238	E	55.3	Low	44.1	Very low	111 Å²	111	92.5 Å²	92.5	52%	0.519	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-61.6	-28	175	-63.9	145	-175.6	0	0	113.8	K77 P236	K77-E238 WeakPolarHBondContact CD-OE2 3.48Å; K77-E238 WeakPolarHBondContact CE-OE1 3.38Å; K77-E238 IonicContact NZ-OE1 2.78Å; K77-E238 PolarHBondContact NZ-OE1 2.94Å; K77-E238 IonicContact NZ-OE2 2.83Å; K77-E238 PolarHBondContact NZ-OE2 2.81Å; P236-E238 PolarHBondContact O-N 2.84Å
239	L	55.8	Low	43.5	Very low	30 Å²	30	88.6 Å²	88.6	16%	0.157	56%	0.556	C	S	.	*	G	3₁₀ helix	trans	-85.8	-14	173.5	-67.4	171.2	0	0	0	113	F79 L210 P236 A237	F79-L239 HydrophobicContact CZ-CD2 3.79Å; L210-L239 HydrophobicContact CD1-CD1 4.16Å; P236-L239 HydrophobicContact CB-CD1 4.31Å; P236-L239 HydrophobicContact CB-CG 4.47Å; P236-L239 HydrophobicContact CG-CD1 4.11Å; P236-L239 PolarHBondContact O-N 3.37Å; A237-L239 VanDerWaalsContact C-N 3.3Å; A237-L239 PolarHBondContact O-N 3.28Å
240	N	51.9	Low	42.8	Very low	84 Å²	84	88.6 Å²	88.6	45%	0.449	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-92.7	5.4	175.9	-66.6	-34	0	0	0	112.7	A237	A237-N240 WeakPolarHBondContact O-CB 3.49Å; A237-N240 PolarHBondContact O-N 3.1Å
241	G	44.3	Very low	42.3	Very low	40 Å²	40	98.7 Å²	98.7	41%	0.412	60%	0.596	S	S	.	*	S	Bend	trans	-59	144.5	175.2	0	0	0	0	0	111.5	S243	G241-S243 PolarHBondContact O-N 3.04Å
242	P	35.6	Very low	41.9	Very low	125 Å²	125	103.6 Å²	103.6	81%	0.812	61%	0.611	S	S	*	*			trans	-56.4	140.5	177.1	26.6	-32.7	0	0	0	107.9	T244	P242-T244 PolarHBondContact O-N 3.37Å
243	S	39	Very low	41.5	Very low	98 Å²	98	104.6 Å²	104.6	69%	0.685	61%	0.611	S	S	*	*			trans	-44.3	106.9	169	-62.3	0	0	0	0	107.5	G241 T245	G241-S243 PolarHBondContact O-N 3.04Å; S243-T245 VanDerWaalsContact C-N 3.3Å; S243-T245 PolarHBondContact O-N 3.42Å
244	T	35.1	Very low	41.1	Very low	120 Å²	120	107.2 Å²	107.2	74%	0.736	61%	0.614	S	S	*	*			trans	-53.5	114.3	156.9	25.5	0	0	0	0	103	P242 T246	P242-T244 PolarHBondContact O-N 3.37Å; T244-T246 PolarHBondContact O-N 3.46Å
245	T	29.9	Very low	40.5	Very low	133 Å²	133	104.5 Å²	104.5	82%	0.816	60%	0.604	S	S	*	*			trans	-51.8	89.5	171	39.8	0	0	0	0	106.3	S243 T247	S243-T245 VanDerWaalsContact C-N 3.3Å; S243-T245 PolarHBondContact O-N 3.42Å; T245-T247 PolarHBondContact O-N 3.12Å
246	T	33.3	Very low	40.4	Very low	126 Å²	126	108.5 Å²	108.5	77%	0.773	64%	0.641	S	S	*	*			trans	-61.7	99	152.4	31.9	0	0	0	0	102.6	T244 T248	T244-T246 PolarHBondContact O-N 3.46Å; T246-T248 PolarHBondContact O-N 3.26Å
247	T	29.6	Very low	40.9	Very low	111 Å²	111	115 Å²	115	68%	0.681	66%	0.662	S	S	*	*			trans	-26.1	124	153.9	17.8	0	0	0	0	107.6	T245 T249	T245-T247 PolarHBondContact O-N 3.12Å; T247-T249 PolarHBondContact O-N 2.92Å; T247-T249 PolarHBondContact O-OG1 3.48Å
248	T	30.9	Very low	42.1	Very low	144 Å²	144	118.8 Å²	118.8	88%	0.883	66%	0.663	S	S	*	*			trans	-55.2	74.8	157.7	38.5	0	0	0	0	107.7	T246 S250	T246-T248 PolarHBondContact O-N 3.26Å; T248-S250 VanDerWaalsContact C-N 3.31Å; T248-S250 PolarHBondContact O-N 3.44Å
249	T	30.4	Very low	43.7	Very low	107 Å²	107	115.1 Å²	115.1	66%	0.656	65%	0.647	S	S	*	*			trans	-62.7	109.7	144.6	31.6	0	0	0	0	103.1	T247 K251	T247-T249 PolarHBondContact O-N 2.92Å; T247-T249 PolarHBondContact O-OG1 3.48Å; T249-K251 PolarHBondContact O-N 3.28Å
250	S	29.8	Very low	45.6	Very low	58 Å²	58	118.9 Å²	118.9	41%	0.406	66%	0.664	S	S	.	*			trans	-36.8	138.4	171.5	48	0	0	0	0	109.3	T248 Q252 E253	T248-S250 VanDerWaalsContact C-N 3.31Å; T248-S250 PolarHBondContact O-N 3.44Å; S250-Q252 PolarHBondContact O-N 2.81Å; S250-E253 PolarHBondContact O-N 3.05Å
251	K	38	Very low	47.8	Very low	221 Å²	221	115 Å²	115	96%	0.961	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	-2.3	168	-90	179.9	170.4	-178.9	0	113.8	T249	T249-K251 PolarHBondContact O-N 3.28Å
252	Q	34.3	Very low	50.4	Low	182 Å²	182	114.1 Å²	114.1	85%	0.85	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-4.5	-176.5	-87.1	171.9	-49.6	0	0	115.4	S250	S250-Q252 PolarHBondContact O-N 2.81Å
253	E	37	Very low	53.4	Low	157 Å²	157	108.2 Å²	108.2	73%	0.734	59%	0.589	S	S	*	*			trans	-124.3	19	-178.8	-70.8	-172.7	169.4	0	0	115.4	S250 G255	S250-E253 PolarHBondContact O-N 3.05Å; E253-G255 PolarHBondContact O-N 3.5Å
254	R	38.6	Very low	56.2	Low	160 Å²	160	103.9 Å²	103.9	60%	0.604	56%	0.559	S	S	*	*			trans	-73.1	81.6	159.1	-78.2	-173.1	179.1	-163	-1.4	107.2	E201 A256	E201-R254 IonicContact OE1-CZ 3.75Å; E201-R254 IonicContact OE1-NH1 3.9Å; E201-R254 PolarHBondContact OE1-NH1 2.96Å; R254-A256 PolarHBondContact O-N 2.77Å
255	G	37.2	Very low	59	Low	61 Å²	61	101.1 Å²	101.1	63%	0.629	54%	0.54	S	S	*	.			trans	-45.6	133.3	165.8	0	0	0	0	0	108.4	E253 R257	E253-G255 PolarHBondContact O-N 3.5Å; G255-R257 PolarHBondContact O-N 3.1Å
256	A	52.9	Low	62.2	Low	103 Å²	103	94.8 Å²	94.8	85%	0.851	50%	0.501	S	S	*	.			trans	-46.5	98.1	-169.3	0	0	0	0	0	110.5	R254 K258	R254-A256 PolarHBondContact O-N 2.77Å; A256-K258 PolarHBondContact O-N 2.74Å
257	R	65.2	Low	65	Low	164 Å²	164	89.8 Å²	89.8	62%	0.619	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-65.4	130.8	178.4	-85.2	-177.8	172.2	-174.8	-7.9	106.5	D198 G255 L259	D198-R257 IonicContact OD2-CZ 2.55Å; D198-R257 IonicContact OD2-NH1 2.87Å; D198-R257 PolarHBondContact OD2-NH1 2.84Å; D198-R257 IonicContact OD2-NH2 3.47Å; D198-R257 PolarHBondContact OD2-NH2 2.99Å; G255-R257 PolarHBondContact O-N 3.1Å; R257-L259 PolarHBondContact O-N 3.24Å
258	K	79.4	Confident	68.1	Low	159 Å²	159	88.9 Å²	88.9	69%	0.691	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-58.5	126.4	175.4	-67.9	-174.9	180	-176.2	0	108.4	A256 E260 I425	A256-K258 PolarHBondContact O-N 2.74Å; K258-E260 PolarHBondContact O-N 3.08Å; K258-I425 HydrophobicContact CD-CD1 4.38Å
259	L	90.4	Very high	71.3	Confident	34 Å²	34	82.1 Å²	82.1	18%	0.178	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-67.3	118.2	177.4	-169.8	159.5	0	0	0	108.3	L149 I166 Q169 I195 R257 V261	L149-L259 HydrophobicContact CD2-CD1 4.14Å; I166-L259 HydrophobicContact CD1-CD1 4.48Å; I166-L259 HydrophobicContact CD1-CD2 4.12Å; I166-L259 HydrophobicContact CG1-CD2 3.86Å; Q169-L259 PolarHBondContact NE2-O 3.3Å; I195-L259 HydrophobicContact CD1-CD1 4.18Å; I195-L259 HydrophobicContact CG1-CD2 4.13Å; I195-L259 HydrophobicContact CG2-CD2 4.12Å; I195-L259 HydrophobicContact CG2-CG 4Å; R257-L259 PolarHBondContact O-N 3.24Å; L259-V261 HydrophobicContact CD2-CG1 3.23Å
260	E	95.8	Very high	74.5	Confident	110 Å²	110	77 Å²	77	51%	0.514	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-96.7	137.2	174.4	-71	-174	174.7	0	0	109.9	Q169 I195 C196 K258	Q169-E260 VanDerWaalsContact OE1-CA 3.27Å; I195-E260 CarbonylContact C-O 3.57Å; I195-E260 WeakPolarHBondContact CA-O 3.48Å; C196-E260 HydrophobicContact CB-CB 3.85Å; C196-E260 PolarHBondContact N-O 3.2Å; K258-E260 PolarHBondContact O-N 3.08Å
261	V	98.1	Very high	77.8	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.006	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	156.7	179.9	-60.8	0	0	0	0	112.4	L146 I166 Q169 V170 V193 L194 I195 L259	L146-V261 HydrophobicContact CD2-CG1 4.15Å; I166-V261 HydrophobicContact CG1-CG1 4.08Å; I166-V261 HydrophobicContact CG2-CG1 4.47Å; I166-V261 HydrophobicContact CG2-CG2 4.38Å; Q169-V261 HydrophobicContact CB-CG2 3.52Å; Q169-V261 HydrophobicContact CG-CG2 4.36Å; V170-V261 HydrophobicContact CG2-CG2 4.41Å; V193-V261 HydrophobicContact CG1-CB 3.72Å; V193-V261 HydrophobicContact CG1-CG1 4.16Å; V193-V261 HydrophobicContact CG1-CG2 4.05Å; L194-V261 CarbonylContact O-C 3.44Å; L194-V261 VanDerWaalsContact O-CA 3.25Å; L194-V261 WeakPolarHBondContact O-CA 3.33Å; I195-V261 HydrophobicContact CG1-CG1 4.49Å; L259-V261 HydrophobicContact CD2-CG1 3.23Å
262	K	98.7	Very high	80.6	Confident	23 Å²	23	69.9 Å²	69.9	10%	0.1	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	144	170.2	-56.9	-167.3	-177.7	-160.5	0	111.3	D116 R117 E140 L142 L194	D116-K262 VanDerWaalsContact O-CD 3.23Å; D116-K262 WeakPolarHBondContact O-CD 3.3Å; D116-K262 WeakPolarHBondContact O-CE 3.22Å; D116-K262 WeakPolarHBondContact O-CG 3.4Å; D116-K262 PolarHBondContact O-NZ 2.98Å; R117-K262 CarbonylContact O-C 3.57Å; R117-K262 VanDerWaalsContact O-CA 3.31Å; R117-K262 WeakPolarHBondContact O-CA 3.2Å; E140-K262 IonicContact OE1-NZ 3.48Å; E140-K262 PolarHBondContact OE1-NZ 2.95Å; E140-K262 WeakPolarHBondContact OE2-CE 3.25Å; E140-K262 IonicContact OE2-NZ 2.95Å; E140-K262 PolarHBondContact OE2-NZ 2.93Å; L142-K262 HydrophobicContact CD1-CB 4.2Å; L142-K262 HydrophobicContact CD1-CD 4.36Å; L142-K262 HydrophobicContact CD2-CD 4.15Å; L142-K262 HydrophobicContact CD2-CG 4.48Å; L194-K262 PolarHBondContact N-O 3.45Å; L194-K262 PolarHBondContact O-N 3.24Å
263	I	98.7	Very high	83.5	Confident	1 Å²	1	68 Å²	68	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	130	166.8	-58.9	174.1	0	0	0	108.2	R117 I119 V170 L174 L177 H185 I188	R117-I263 PolarHBondContact O-N 3.06Å; I119-I263 PolarHBondContact N-O 3.38Å; V170-I263 HydrophobicContact CG1-CD1 4.36Å; L174-I263 HydrophobicContact CD2-CD1 3.98Å; L174-I263 HydrophobicContact CG-CD1 3.91Å; L177-I263 HydrophobicContact CD1-CD1 4.4Å; H185-I263 WeakPolarHBondContact CD2-CG2 3.38Å; H185-I263 WeakPolarHBondContact NE2-CG2 3.49Å; I188-I263 HydrophobicContact CD1-CD1 4.27Å; I188-I263 HydrophobicContact CD1-CG2 4.01Å
264	A	97.2	Very high	86.2	Confident	6 Å²	6	66 Å²	66	5%	0.05	34%	0.341	C	S	.	.			trans	-128.3	171.2	177.7	0	0	0	0	0	110.5	I119 H185 N192 L194	I119-A264 HydrophobicContact CB-CB 4.37Å; I119-A264 HydrophobicContact CD1-CB 4.24Å; I119-A264 HydrophobicContact CG2-CB 4.35Å; H185-A264 PolarHBondContact NE2-O 2.92Å; H185-A264 VanDerWaalsContact NE2-O 3.12Å; N192-A264 PolarHBondContact O-N 3.17Å; L194-A264 HydrophobicContact CD1-CB 3.59Å; L194-A264 HydrophobicContact CG-CB 3.72Å
265	D	94.4	Very high	88.9	Confident	62 Å²	62	61.4 Å²	61.4	33%	0.332	33%	0.326	S	S	.	.			trans	60.5	82.6	179.1	-156.5	-4.7	0	0	0	115.5	K83 H185 G267	K83-D265 IonicContact NZ-OD1 3.05Å; H185-D265 PolarHBondContact CE1-O 3.4Å; H185-D265 PolarHBondContact NE2-O 2.85Å; D265-G267 PolarHBondContact O-N 3.11Å; D265-G267 PolarHBondContact OD1-N 3.48Å; D265-G267 VanDerWaalsContact OD1-N 3.09Å
266	L	96.2	Very high	91.6	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	31%	0.314	C	S	.	.			trans	-88	15.8	173.4	-83.3	68.6	0	0	0	112.1	E98 L101 L102 V105 V118 N268 A269	E98-L266 HydrophobicContact CG-CB 4.41Å; L101-L266 HydrophobicContact CB-CD2 4.28Å; L102-L266 HydrophobicContact CD2-CD1 4.39Å; L102-L266 HydrophobicContact CD2-CD2 4.18Å; L102-L266 HydrophobicContact CG-CD2 4.48Å; V105-L266 HydrophobicContact CG2-CD2 3.92Å; V118-L266 HydrophobicContact CG1-CD1 4.29Å; L266-N268 PolarHBondContact O-N 3.43Å; L266-A269 HydrophobicContact CB-CB 3.96Å; L266-A269 HydrophobicContact CG-CB 4.05Å; L266-A269 WeakPolarHBondContact O-CB 3.36Å; L266-A269 PolarHBondContact O-N 3.03Å; L266-A269 VanDerWaalsContact O-N 3.07Å
267	G	93.3	Very high	93.6	Very high	20 Å²	20	61.2 Å²	61.2	21%	0.206	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.4	-177.3	0	0	0	0	0	114.5	D265	D265-G267 PolarHBondContact O-N 3.11Å; D265-G267 PolarHBondContact OD1-N 3.48Å; D265-G267 VanDerWaalsContact OD1-N 3.09Å
268	N	94.3	Very high	95	Very high	93 Å²	93	58.8 Å²	58.8	50%	0.497	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-3.2	175.2	-67.1	-37.6	0	0	0	113.2	T186 D187 L266	T186-N268 PolarHBondContact OG1-O 3.29Å; D187-N268 HydrophobicContact CB-CB 4.24Å; L266-N268 PolarHBondContact O-N 3.43Å
269	A	97.7	Very high	95.8	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.008	28%	0.275	C	S	.	.			trans	-68.9	157.7	-176.9	0	0	0	0	0	111.3	L101 I183 I184 H185 L266 F276	L101-A269 HydrophobicContact CD1-CB 4.01Å; L101-A269 WeakPolarHBondContact CD1-O 3.48Å; I183-A269 HydrophobicContact CG2-CB 4.01Å; I184-A269 CarbonylContact O-C 3.51Å; I184-A269 VanDerWaalsContact O-CA 3.22Å; I184-A269 WeakPolarHBondContact O-CA 3.4Å; I184-A269 VanDerWaalsContact O-CB 3.3Å; I184-A269 WeakPolarHBondContact O-CB 3.44Å; H185-A269 WeakPolarHBondContact O-CA 3.36Å; L266-A269 HydrophobicContact CB-CB 3.96Å; L266-A269 HydrophobicContact CG-CB 4.05Å; L266-A269 WeakPolarHBondContact O-CB 3.36Å; L266-A269 PolarHBondContact O-N 3.03Å; L266-A269 VanDerWaalsContact O-N 3.07Å; A269-F276 WeakPolarHBondContact O-CD2 3.43Å; A269-F276 VanDerWaalsContact O-CE2 3.3Å; A269-F276 WeakPolarHBondContact O-CE2 3.38Å
270	C	97.9	Very high	96.1	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.007	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	168.1	177.4	72.6	0	0	0	0	111.7	I183 I184 F276 Y296	I183-C270 CarbonylContact C-O 3.6Å; I183-C270 WeakPolarHBondContact CA-O 3.38Å; I184-C270 PolarHBondContact N-O 2.9Å; I184-C270 PolarHBondContact O-N 3.12Å; C270-F276 HydrophobicContact CB-CD2 3.66Å; C270-F276 HydrophobicContact CB-CE2 4.02Å; C270-F276 HydrophobicContact CB-CG 4.41Å; C270-Y296 PolarHBondContact SG-OH 2.85Å
271	W	97.9	Very high	96.2	Very high	53 Å²	53	48.5 Å²	48.5	20%	0.201	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	150.6	174	-50.1	92.3	0	0	0	110.2	L101 C104 K182 I183 D273 K274	L101-W271 HydrophobicContact CD2-CD2 3.81Å; L101-W271 VanDerWaalsContact CD2-CE2 3.49Å; L101-W271 HydrophobicContact CD2-CE3 4.18Å; L101-W271 HydrophobicContact CD2-CG 4.35Å; L101-W271 HydrophobicContact CD2-CH2 4.04Å; L101-W271 HydrophobicContact CD2-CZ2 3.64Å; L101-W271 HydrophobicContact CD2-CZ3 4.28Å; L101-W271 HydrophobicContact CG-CZ2 4.13Å; C104-W271 HydrophobicContact CB-CH2 3.47Å; C104-W271 VanDerWaalsContact CB-CH2 3.47Å; C104-W271 HydrophobicContact CB-CZ3 3.88Å; C104-W271 VanDerWaalsContact SG-CZ3 3.58Å; K182-W271 WeakPolarHBondContact O-CA 3.4Å; I183-W271 HydrophobicContact CD1-CZ3 4.2Å; I183-W271 HydrophobicContact CG1-CE3 3.97Å; I183-W271 HydrophobicContact CG1-CZ3 3.96Å; W271-D273 WeakPolarHBondContact CB-OD1 3.34Å; W271-D273 PolarHBondContact O-N 3.3Å; W271-D273 VanDerWaalsContact O-N 3.15Å; W271-K274 HydrophobicContact CB-CB 4.08Å; W271-K274 HydrophobicContact CG-CB 4.47Å; W271-K274 PolarHBondContact N-O 2.87Å; W271-K274 CarbonylContact O-C 3.33Å; W271-K274 PolarHBondContact O-N 3.39Å
272	I	96.9	Very high	96.2	Very high	76 Å²	76	49.6 Å²	49.6	39%	0.39	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.3	176.4	64.7	176.7	0	0	0	113.4	K182 I184 T298	K182-I272 HydrophobicContact CB-CD1 3.73Å; K182-I272 HydrophobicContact CB-CG1 3.89Å; K182-I272 HydrophobicContact CD-CD1 3.91Å; K182-I272 HydrophobicContact CG-CD1 4.06Å; K182-I272 WeakPolarHBondContact O-CG2 3.14Å; K182-I272 PolarHBondContact O-N 3Å; I184-I272 HydrophobicContact CD1-CG2 4.27Å; I184-I272 HydrophobicContact CG1-CG2 3.9Å; I272-T298 HydrophobicContact CG2-CG2 3.86Å
273	D	95.1	Very high	96.2	Very high	142 Å²	142	50.3 Å²	50.3	76%	0.759	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	0.8	-177.7	63.6	-21	0	0	0	113	W271	W271-D273 WeakPolarHBondContact CB-OD1 3.34Å; W271-D273 PolarHBondContact O-N 3.3Å; W271-D273 VanDerWaalsContact O-N 3.15Å
274	K	95.4	Very high	96.1	Very high	115 Å²	115	51.5 Å²	51.5	50%	0.5	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-147.1	91.9	178.5	-172.3	-172.1	175.2	-165.5	0	111	W271	W271-K274 HydrophobicContact CB-CB 4.08Å; W271-K274 HydrophobicContact CG-CB 4.47Å; W271-K274 PolarHBondContact N-O 2.87Å; W271-K274 CarbonylContact O-C 3.33Å; W271-K274 PolarHBondContact O-N 3.39Å
275	H	95.2	Very high	96.2	Very high	64 Å²	64	51.3 Å²	51.3	30%	0.296	26%	0.259	S	S	.	.			trans	-78	140.1	172.9	-63.4	-178.1	0	0	0	111.1	E278 Y296	H275-E278 IonicContact ND1-OE1 2.74Å; H275-E278 PolarHBondContact ND1-OE1 2.93Å; H275-Y296 HydrophobicContact CB-CE1 4.38Å; H275-Y296 VanDerWaalsContact CB-OH 3.32Å; H275-Y296 WeakPolarHBondContact CB-OH 3.41Å; H275-Y296 AromaticContact CD2-CE2 3.99Å; H275-Y296 AromaticContact CD2-CZ 3.79Å; H275-Y296 AromaticContact CE1-CD1 3.93Å; H275-Y296 AromaticContact CE1-CD2 3.96Å; H275-Y296 AromaticContact CE1-CE1 3.67Å; H275-Y296 AromaticContact CE1-CE2 3.7Å; H275-Y296 AromaticContact CE1-CZ 3.56Å; H275-Y296 PolarHBondContact CE1-O 3.13Å; H275-Y296 AromaticContact CG-CE1 3.88Å; H275-Y296 AromaticContact CG-CZ 3.49Å; H275-Y296 VanDerWaalsContact CG-CZ 3.49Å; H275-Y296 AromaticContact ND1-CD1 3.92Å; H275-Y296 AromaticContact ND1-CE1 3.3Å; H275-Y296 VanDerWaalsContact ND1-CE1 3.3Å; H275-Y296 WeakPolarHBondContact ND1-CE1 3.39Å; H275-Y296 AromaticContact ND1-CE2 3.98Å; H275-Y296 AromaticContact ND1-CZ 3.34Å; H275-Y296 VanDerWaalsContact ND1-CZ 3.34Å; H275-Y296 AromaticContact NE2-CE2 3.73Å; H275-Y296 AromaticContact NE2-CZ 3.86Å
276	F	92.9	Very high	96.4	Very high	86 Å²	86	50 Å²	50	38%	0.377	25%	0.249	S	C	.	.	S	Bend	trans	-91.7	-29.9	176	-62.6	-55.3	0	0	0	113	D97 L101 A269 C270	D97-F276 HydrophobicContact CB-CE2 4.34Å; D97-F276 HydrophobicContact CB-CZ 3.95Å; L101-F276 HydrophobicContact CD1-CE2 4.39Å; A269-F276 WeakPolarHBondContact O-CD2 3.43Å; A269-F276 VanDerWaalsContact O-CE2 3.3Å; A269-F276 WeakPolarHBondContact O-CE2 3.38Å; C270-F276 HydrophobicContact CB-CD2 3.66Å; C270-F276 HydrophobicContact CB-CE2 4.02Å; C270-F276 HydrophobicContact CB-CG 4.41Å
277	T	94.7	Very high	96.5	Very high	73 Å²	73	50 Å²	50	45%	0.448	25%	0.249	S	C	.	.			trans	-155.5	155.4	179.4	179.4	0	0	0	0	109.5	D279 I280 Y296	T277-D279 VanDerWaalsContact CG2-O 3.28Å; T277-D279 WeakPolarHBondContact CG2-O 3.34Å; T277-D279 PolarHBondContact OG1-N 3.15Å; T277-D279 VanDerWaalsContact OG1-N 3.09Å; T277-I280 HydrophobicContact CG2-CG2 3.93Å; T277-Y296 WeakPolarHBondContact O-CE1 3.47Å; T277-Y296 PolarHBondContact O-OH 3.26Å; T277-Y296 VanDerWaalsContact O-OH 3.13Å
278	E	95.1	Very high	96.8	Very high	114 Å²	114	49 Å²	49	53%	0.533	24%	0.239	S	C	.	.	S	Bend	trans	-92.4	-10.9	170.4	-62.7	-66.6	135	0	0	112.2	H275 I280	H275-E278 IonicContact ND1-OE1 2.74Å; H275-E278 PolarHBondContact ND1-OE1 2.93Å; E278-I280 PolarHBondContact O-N 3.41Å
279	D	95.4	Very high	97	Very high	68 Å²	68	44.7 Å²	44.7	36%	0.364	22%	0.216	S	C	.	.			trans	-93.8	93.8	174.5	-168.9	2.6	0	0	0	109.3	S14 T277 R286	S14-D279 WeakPolarHBondContact CB-OD2 3.38Å; S14-D279 PolarHBondContact OG-OD2 2.78Å; T277-D279 VanDerWaalsContact CG2-O 3.28Å; T277-D279 WeakPolarHBondContact CG2-O 3.34Å; T277-D279 PolarHBondContact OG1-N 3.15Å; T277-D279 VanDerWaalsContact OG1-N 3.09Å; D279-R286 IonicContact OD1-CZ 3.17Å; D279-R286 IonicContact OD1-NH2 2.94Å; D279-R286 PolarHBondContact OD1-NH2 3.25Å
280	I	97.6	Very high	97	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.051	22%	0.222	C	C	.	.			trans	-124.6	171.4	-176.2	62.9	160.7	0	0	0	111.3	T186 T277 E278 R286 V290 Y296 A300	T186-I280 HydrophobicContact CG2-CD1 4.35Å; T186-I280 HydrophobicContact CG2-CG2 4.32Å; T277-I280 HydrophobicContact CG2-CG2 3.93Å; E278-I280 PolarHBondContact O-N 3.41Å; I280-R286 PolarHBondContact O-NE 3.46Å; I280-V290 HydrophobicContact CD1-CG2 3.89Å; I280-V290 HydrophobicContact CG1-CG1 3.94Å; I280-V290 HydrophobicContact CG1-CG2 3.79Å; I280-Y296 HydrophobicContact CD1-CD1 3.84Å; I280-Y296 HydrophobicContact CD1-CD2 3.48Å; I280-Y296 VanDerWaalsContact CD1-CD2 3.48Å; I280-Y296 HydrophobicContact CD1-CE1 4.09Å; I280-Y296 HydrophobicContact CD1-CE2 3.76Å; I280-Y296 HydrophobicContact CD1-CG 3.52Å; I280-Y296 HydrophobicContact CG1-CD1 4.37Å; I280-Y296 HydrophobicContact CG1-CE1 4.48Å; I280-Y296 HydrophobicContact CG1-CG 4.48Å; I280-Y296 HydrophobicContact CG2-CE1 4.23Å; I280-A300 HydrophobicContact CD1-CB 4.46Å
281	Q	98.3	Very high	96.9	Very high	9 Å²	9	46.1 Å²	46.1	4%	0.042	22%	0.224	C	C	.	.	S	Bend	trans	64.2	137.2	178.5	-56.7	168.5	-62.3	0	0	114	T186 Y285 R286 V290 A300 S304	T186-Q281 WeakPolarHBondContact O-CA 3.47Å; T186-Q281 WeakPolarHBondContact O-CG 3.45Å; T186-Q281 PolarHBondContact O-N 3.23Å; Q281-Y285 PolarHBondContact NE2-O 3.06Å; Q281-R286 HydrophobicContact CB-CB 4Å; Q281-R286 HydrophobicContact CB-CG 4.19Å; Q281-R286 PolarHBondContact O-NE 2.89Å; Q281-R286 PolarHBondContact O-NH2 3.01Å; Q281-V290 VanDerWaalsContact OE1-CG2 3.28Å; Q281-A300 PolarHBondContact NE2-O 3.36Å; Q281-S304 PolarHBondContact NE2-OG 2.86Å
282	T	97.4	Very high	96.9	Very high	24 Å²	24	43.7 Å²	43.7	15%	0.147	22%	0.215	C	C	.	.			trans	-61.2	143.3	164	-62.3	0	0	0	0	110.6	D187 K189 Q284 Y285 R286	D187-T282 WeakPolarHBondContact OD1-CB 3.35Å; D187-T282 PolarHBondContact OD1-N 2.91Å; D187-T282 PolarHBondContact OD1-OG1 2.99Å; K189-T282 HydrophobicContact CD-CG2 4.2Å; K189-T282 WeakPolarHBondContact CD-OG1 2.91Å; K189-T282 WeakPolarHBondContact CE-OG1 3.25Å; K189-T282 PolarHBondContact NZ-OG1 2.9Å; T282-Q284 PolarHBondContact O-N 3.04Å; T282-Q284 VanDerWaalsContact O-N 3.16Å; T282-Y285 HydrophobicContact CG2-CD2 4.02Å; T282-Y285 HydrophobicContact CG2-CE2 4.11Å; T282-Y285 CarbonylContact O-C 3.55Å; T282-Y285 PolarHBondContact O-N 3.4Å; T282-R286 PolarHBondContact O-N 3.31Å
283	R	97.9	Very high	96.9	Very high	37 Å²	37	41.5 Å²	41.5	14%	0.14	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-45.1	-50.8	-166.6	170.9	56.5	63	-176.5	6.1	114.7	Y285 R286 P321 D330 H333	R283-Y285 PolarHBondContact O-N 2.84Å; R283-R286 VanDerWaalsContact CZ-NH1 3.33Å; R283-R286 VanDerWaalsContact NH2-NH1 3.19Å; R283-R286 WeakPolarHBondContact O-CB 3.48Å; R283-R286 PolarHBondContact O-N 2.83Å; R283-P321 HydrophobicContact CG-CG 3.98Å; R283-D330 IonicContact CZ-OD1 2.81Å; R283-D330 IonicContact NH1-OD1 3.64Å; R283-D330 PolarHBondContact NH1-OD1 3.35Å; R283-D330 IonicContact NH2-OD1 2.86Å; R283-D330 PolarHBondContact NH2-OD1 3.37Å; R283-H333 PolarHBondContact O-CE1 2.94Å
284	Q	98.4	Very high	96.9	Very high	26 Å²	26	36.2 Å²	36.2	12%	0.121	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-72.4	-17.2	-173.7	-65.9	77.7	4.3	0	0	113	T282 Y317 F319	T282-Q284 PolarHBondContact O-N 3.04Å; T282-Q284 VanDerWaalsContact O-N 3.16Å; Q284-Y317 HydrophobicContact CB-CD1 3.84Å; Q284-Y317 HydrophobicContact CB-CE1 4.27Å; Q284-Y317 HydrophobicContact CB-CG 4.06Å; Q284-Y317 HydrophobicContact CG-CD1 3.81Å; Q284-Y317 HydrophobicContact CG-CD2 3.78Å; Q284-Y317 HydrophobicContact CG-CE1 4.1Å; Q284-Y317 HydrophobicContact CG-CE2 4.05Å; Q284-Y317 HydrophobicContact CG-CG 3.65Å; Q284-F319 WeakPolarHBondContact CG-O 3.15Å
285	Y	98.7	Very high	96.9	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.012	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-110.1	4.3	-178.2	-45.6	-85.3	0	0	0	112.4	K189 P190 Q281 T282 R283 S304 C307 M308 E311 Y317	K189-Y285 HydrophobicContact CB-CD1 4.35Å; K189-Y285 HydrophobicContact CB-CD2 3.75Å; K189-Y285 HydrophobicContact CB-CE1 4.15Å; K189-Y285 HydrophobicContact CB-CE2 3.48Å; K189-Y285 VanDerWaalsContact CB-CE2 3.48Å; K189-Y285 HydrophobicContact CB-CG 4.18Å; K189-Y285 HydrophobicContact CD-CE2 4.26Å; P190-Y285 WeakPolarHBondContact CD-OH 3.26Å; Q281-Y285 PolarHBondContact NE2-O 3.06Å; T282-Y285 HydrophobicContact CG2-CD2 4.02Å; T282-Y285 HydrophobicContact CG2-CE2 4.11Å; T282-Y285 CarbonylContact O-C 3.55Å; T282-Y285 PolarHBondContact O-N 3.4Å; R283-Y285 PolarHBondContact O-N 2.84Å; Y285-S304 PolarHBondContact O-OG 3.33Å; Y285-C307 HydrophobicContact CD1-CB 3.84Å; Y285-M308 HydrophobicContact CD1-CB 4.42Å; Y285-M308 HydrophobicContact CE1-CB 4.27Å; Y285-E311 VanDerWaalsContact CE1-OE2 3.22Å; Y285-E311 WeakPolarHBondContact CE1-OE2 3.26Å; Y285-E311 VanDerWaalsContact CZ-OE2 3.26Å; Y285-E311 PolarHBondContact OH-OE1 3.5Å; Y285-E311 PolarHBondContact OH-OE2 3.05Å; Y285-Y317 WeakPolarHBondContact OH-CE1 3.3Å
286	R	98.7	Very high	97	Very high	34 Å²	34	30.4 Å²	30.4	13%	0.128	17%	0.17	C	C	.	.			trans	-74.9	128	-173.9	-172.8	173.9	-65.6	167.1	-2	111.5	D279 I280 Q281 T282 R283 V290 L291 W303	D279-R286 IonicContact OD1-CZ 3.17Å; D279-R286 IonicContact OD1-NH2 2.94Å; D279-R286 PolarHBondContact OD1-NH2 3.25Å; I280-R286 PolarHBondContact O-NE 3.46Å; Q281-R286 HydrophobicContact CB-CB 4Å; Q281-R286 HydrophobicContact CB-CG 4.19Å; Q281-R286 PolarHBondContact O-NE 2.89Å; Q281-R286 PolarHBondContact O-NH2 3.01Å; T282-R286 PolarHBondContact O-N 3.31Å; R283-R286 VanDerWaalsContact CZ-NH1 3.33Å; R283-R286 VanDerWaalsContact NH2-NH1 3.19Å; R283-R286 WeakPolarHBondContact O-CB 3.48Å; R283-R286 PolarHBondContact O-N 2.83Å; R286-V290 HydrophobicContact CG-CB 3.9Å; R286-V290 HydrophobicContact CG-CG1 3.84Å; R286-L291 HydrophobicContact CG-CD2 4.04Å; R286-L291 HydrophobicContact CG-CG 4.3Å; R286-W303 PolarHBondContact O-NE1 2.89Å
287	A	98.6	Very high	97.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.162	C	C	.	.			trans	-75.6	153.5	-176.6	0	0	0	0	0	112.5	E289 V290 L291 W303	A287-E289 VanDerWaalsContact C-N 3.28Å; A287-E289 HydrophobicContact CB-CG 4.38Å; A287-E289 WeakPolarHBondContact CB-OE2 3.46Å; A287-E289 PolarHBondContact O-N 2.83Å; A287-V290 WeakPolarHBondContact O-CB 3.45Å; A287-V290 PolarHBondContact O-N 3.26Å; A287-V290 VanDerWaalsContact O-N 3.08Å; A287-L291 PolarHBondContact O-N 3.09Å; A287-W303 HydrophobicContact CB-CB 3.8Å; A287-W303 HydrophobicContact CB-CD2 4.04Å; A287-W303 HydrophobicContact CB-CG 3.61Å
288	L	98.2	Very high	97.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-52.9	-45.5	179.2	176.3	68.4	0	0	0	112.2	V290 L291 I292 W303 L334 I337 V344 V348 Y404	L288-V290 PolarHBondContact O-N 2.95Å; L288-L291 WeakPolarHBondContact O-CB 3.37Å; L288-L291 PolarHBondContact O-N 2.88Å; L288-L291 VanDerWaalsContact O-N 3.13Å; L288-I292 HydrophobicContact CD1-CG2 4.02Å; L288-I292 HydrophobicContact CG-CD1 4.42Å; L288-I292 WeakPolarHBondContact O-CG1 3.24Å; L288-I292 PolarHBondContact O-N 2.87Å; L288-W303 HydrophobicContact CB-CH2 4.27Å; L288-W303 HydrophobicContact CB-CZ3 4.46Å; L288-L334 HydrophobicContact CD1-CD2 3.17Å; L288-I337 HydrophobicContact CB-CD1 4.41Å; L288-I337 HydrophobicContact CD1-CD1 4.28Å; L288-V344 HydrophobicContact CD2-CG1 3.87Å; L288-V344 HydrophobicContact CD2-CG2 4.25Å; L288-V348 HydrophobicContact CD2-CG1 4.09Å; L288-Y404 HydrophobicContact CD2-CD1 3.38Å; L288-Y404 HydrophobicContact CD2-CE1 3.96Å; L288-Y404 HydrophobicContact CD2-CG 4.25Å
289	E	98.1	Very high	97.6	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	13%	0.134	C	C	.	.	H	α-helix	trans	-61.6	-29.1	-177.7	62.8	-89.4	-153.1	0	0	113	A287 G293 A294 G295 P406 R409	A287-E289 VanDerWaalsContact C-N 3.28Å; A287-E289 HydrophobicContact CB-CG 4.38Å; A287-E289 WeakPolarHBondContact CB-OE2 3.46Å; A287-E289 PolarHBondContact O-N 2.83Å; E289-G293 WeakPolarHBondContact O-CA 3.44Å; E289-G293 PolarHBondContact O-N 3.46Å; E289-A294 HydrophobicContact CB-CB 4.05Å; E289-A294 PolarHBondContact O-N 3.12Å; E289-G295 WeakPolarHBondContact CB-O 3.42Å; E289-G295 WeakPolarHBondContact CG-O 3.48Å; E289-P406 HydrophobicContact CB-CG 3.94Å; E289-P406 HydrophobicContact CG-CG 3.91Å; E289-R409 IonicContact OE1-CZ 3.88Å; E289-R409 IonicContact OE1-NH1 3.53Å; E289-R409 PolarHBondContact OE1-NH1 3.03Å; E289-R409 IonicContact OE1-NH2 3.49Å; E289-R409 PolarHBondContact OE1-NH2 3.42Å; E289-R409 IonicContact OE2-CZ 3.8Å; E289-R409 IonicContact OE2-NH1 3.89Å; E289-R409 PolarHBondContact OE2-NH1 2.93Å; E289-R409 IonicContact OE2-NH2 2.77Å; E289-R409 PolarHBondContact OE2-NH2 2.76Å
290	V	97.8	Very high	97.8	Very high	21 Å²	21	18.1 Å²	18.1	13%	0.127	12%	0.117	C	C	.	.	H	α-helix	trans	-74.5	-45.1	174.7	-179	0	0	0	0	109.7	I280 Q281 R286 A287 L288 I292 G293	I280-V290 HydrophobicContact CD1-CG2 3.89Å; I280-V290 HydrophobicContact CG1-CG1 3.94Å; I280-V290 HydrophobicContact CG1-CG2 3.79Å; Q281-V290 VanDerWaalsContact OE1-CG2 3.28Å; R286-V290 HydrophobicContact CG-CB 3.9Å; R286-V290 HydrophobicContact CG-CG1 3.84Å; A287-V290 WeakPolarHBondContact O-CB 3.45Å; A287-V290 PolarHBondContact O-N 3.26Å; A287-V290 VanDerWaalsContact O-N 3.08Å; L288-V290 PolarHBondContact O-N 2.95Å; V290-I292 VanDerWaalsContact C-N 3.33Å; V290-I292 PolarHBondContact O-N 3.41Å; V290-G293 PolarHBondContact O-N 3.36Å
291	L	97.5	Very high	97.8	Very high	12 Å²	12	17.7 Å²	17.7	6%	0.063	12%	0.115	C	C	.	.	H	α-helix	trans	-58.4	-42.1	177.1	-61.4	172.4	0	0	0	112.7	R286 A287 L288 H333 L334 I337 F358	R286-L291 HydrophobicContact CG-CD2 4.04Å; R286-L291 HydrophobicContact CG-CG 4.3Å; A287-L291 PolarHBondContact O-N 3.09Å; L288-L291 WeakPolarHBondContact O-CB 3.37Å; L288-L291 PolarHBondContact O-N 2.88Å; L288-L291 VanDerWaalsContact O-N 3.13Å; L291-H333 HydrophobicContact CD1-CB 4.08Å; L291-L334 HydrophobicContact CB-CD2 4.17Å; L291-L334 HydrophobicContact CD1-CD2 4.01Å; L291-L334 HydrophobicContact CD1-CG 4.42Å; L291-I337 HydrophobicContact CD1-CD1 3.88Å; L291-F358 WeakPolarHBondContact O-CE2 3.36Å
292	I	96.8	Very high	97.9	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-3	-178.4	71.7	177.5	0	0	0	113.6	L288 V290 A294 L334 V348 G352 K353 G354 F359	L288-I292 HydrophobicContact CD1-CG2 4.02Å; L288-I292 HydrophobicContact CG-CD1 4.42Å; L288-I292 WeakPolarHBondContact O-CG1 3.24Å; L288-I292 PolarHBondContact O-N 2.87Å; V290-I292 VanDerWaalsContact C-N 3.33Å; V290-I292 PolarHBondContact O-N 3.41Å; I292-A294 HydrophobicContact CD1-CB 4.08Å; I292-A294 HydrophobicContact CG1-CB 3.9Å; I292-L334 HydrophobicContact CG2-CD1 4.46Å; I292-L334 HydrophobicContact CG2-CD2 3.91Å; I292-V348 HydrophobicContact CD1-CG1 4.2Å; I292-G352 CarbonylContact O-C 3.54Å; I292-G352 WeakPolarHBondContact O-CA 3.36Å; I292-K353 PolarHBondContact O-N 3.17Å; I292-G354 VanDerWaalsContact O-CA 3.3Å; I292-G354 WeakPolarHBondContact O-CA 3.36Å; I292-G354 PolarHBondContact O-N 3.36Å; I292-F359 HydrophobicContact CG2-CE2 4.18Å
293	G	96.5	Very high	97.9	Very high	31 Å²	31	16.2 Å²	16.2	32%	0.32	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	49.9	-178	0	0	0	0	0	113.4	E289 V290 K353	E289-G293 WeakPolarHBondContact O-CA 3.44Å; E289-G293 PolarHBondContact O-N 3.46Å; V290-G293 PolarHBondContact O-N 3.36Å; G293-K353 PolarHBondContact O-N 2.74Å
294	A	95.8	Very high	98	Very high	30 Å²	30	14.4 Å²	14.4	25%	0.248	10%	0.099	C	C	.	.			trans	-91.9	4.9	177	0	0	0	0	0	113.7	E289 I292 M351	E289-A294 HydrophobicContact CB-CB 4.05Å; E289-A294 PolarHBondContact O-N 3.12Å; I292-A294 HydrophobicContact CD1-CB 4.08Å; I292-A294 HydrophobicContact CG1-CB 3.9Å; A294-M351 HydrophobicContact CB-CB 3.81Å
295	G	94.7	Very high	98	Very high	34 Å²	34	13.2 Å²	13.2	35%	0.351	9%	0.094	S	C	.	.			trans	80	154.9	-167.5	0	0	0	0	0	111.1	E289	E289-G295 WeakPolarHBondContact CB-O 3.42Å; E289-G295 WeakPolarHBondContact CG-O 3.48Å
296	Y	97.8	Very high	98	Very high	23 Å²	23	13 Å²	13	9%	0.09	9%	0.093	C	C	.	.			trans	-125.7	168	-179.6	72.5	-92.1	0	0	0	111.5	I184 T186 C270 H275 T277 I280	I184-Y296 HydrophobicContact CD1-CD2 4.05Å; I184-Y296 HydrophobicContact CD1-CE2 3.85Å; I184-Y296 HydrophobicContact CG2-CE2 4.48Å; T186-Y296 HydrophobicContact CG2-CE2 4.22Å; C270-Y296 PolarHBondContact SG-OH 2.85Å; H275-Y296 HydrophobicContact CB-CE1 4.38Å; H275-Y296 VanDerWaalsContact CB-OH 3.32Å; H275-Y296 WeakPolarHBondContact CB-OH 3.41Å; H275-Y296 AromaticContact CD2-CE2 3.99Å; H275-Y296 AromaticContact CD2-CZ 3.79Å; H275-Y296 AromaticContact CE1-CD1 3.93Å; H275-Y296 AromaticContact CE1-CD2 3.96Å; H275-Y296 AromaticContact CE1-CE1 3.67Å; H275-Y296 AromaticContact CE1-CE2 3.7Å; H275-Y296 AromaticContact CE1-CZ 3.56Å; H275-Y296 PolarHBondContact CE1-O 3.13Å; H275-Y296 AromaticContact CG-CE1 3.88Å; H275-Y296 AromaticContact CG-CZ 3.49Å; H275-Y296 VanDerWaalsContact CG-CZ 3.49Å; H275-Y296 AromaticContact ND1-CD1 3.92Å; H275-Y296 AromaticContact ND1-CE1 3.3Å; H275-Y296 VanDerWaalsContact ND1-CE1 3.3Å; H275-Y296 WeakPolarHBondContact ND1-CE1 3.39Å; H275-Y296 AromaticContact ND1-CE2 3.98Å; H275-Y296 AromaticContact ND1-CZ 3.34Å; H275-Y296 VanDerWaalsContact ND1-CZ 3.34Å; H275-Y296 AromaticContact NE2-CE2 3.73Å; H275-Y296 AromaticContact NE2-CZ 3.86Å; T277-Y296 WeakPolarHBondContact O-CE1 3.47Å; T277-Y296 PolarHBondContact O-OH 3.26Å; T277-Y296 VanDerWaalsContact O-OH 3.13Å; I280-Y296 HydrophobicContact CD1-CD1 3.84Å; I280-Y296 HydrophobicContact CD1-CD2 3.48Å; I280-Y296 VanDerWaalsContact CD1-CD2 3.48Å; I280-Y296 HydrophobicContact CD1-CE1 4.09Å; I280-Y296 HydrophobicContact CD1-CE2 3.76Å; I280-Y296 HydrophobicContact CD1-CG 3.52Å; I280-Y296 HydrophobicContact CG1-CD1 4.37Å; I280-Y296 HydrophobicContact CG1-CE1 4.48Å; I280-Y296 HydrophobicContact CG1-CG 4.48Å; I280-Y296 HydrophobicContact CG2-CE1 4.23Å
297	G	98.1	Very high	98	Very high	19 Å²	19	11.5 Å²	11.5	20%	0.196	9%	0.088	C	C	.	.			trans	-158.8	-163.3	175.6	0	0	0	0	0	109.9	P299 A300	G297-P299 WeakPolarHBondContact O-CD 3.31Å; G297-P299 VanDerWaalsContact O-N 3.14Å; G297-A300 VanDerWaalsContact O-CB 3.3Å; G297-A300 WeakPolarHBondContact O-CB 3.46Å; G297-A300 PolarHBondContact O-N 2.99Å
298	T	98.6	Very high	98	Very high	42 Å²	42	11.5 Å²	11.5	26%	0.258	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-29.4	174.9	58.9	0	0	0	0	115.4	H178 I184 I272 A300 D301	H178-T298 HydrophobicContact CB-CG2 3.83Å; H178-T298 PolarHBondContact CE1-O 3.41Å; I184-T298 HydrophobicContact CG1-CG2 4.02Å; I272-T298 HydrophobicContact CG2-CG2 3.86Å; T298-A300 PolarHBondContact O-N 3.23Å; T298-A300 VanDerWaalsContact O-N 3.17Å; T298-D301 PolarHBondContact O-N 3.45Å
299	P	98.8	Very high	98.1	Very high	23 Å²	23	11.5 Å²	11.5	15%	0.149	9%	0.088	C	C	.	.	H	α-helix	trans	-63.7	-18.5	175.9	-23.1	35.5	0	0	0	114.5	G297 D301 I302 W303 P406 R409	G297-P299 WeakPolarHBondContact O-CD 3.31Å; G297-P299 VanDerWaalsContact O-N 3.14Å; P299-D301 VanDerWaalsContact C-N 3.32Å; P299-D301 PolarHBondContact O-N 2.93Å; P299-I302 PolarHBondContact O-N 3.4Å; P299-W303 PolarHBondContact O-N 2.98Å; P299-W303 VanDerWaalsContact O-N 3.16Å; P299-P406 HydrophobicContact CB-CB 3.99Å; P299-P406 HydrophobicContact CG-CB 4.07Å; P299-P406 VanDerWaalsContact CG-O 3.26Å; P299-P406 WeakPolarHBondContact CG-O 3.26Å; P299-R409 VanDerWaalsContact C-NH1 3.32Å; P299-R409 HydrophobicContact CB-CB 4.22Å; P299-R409 VanDerWaalsContact O-CD 3.3Å; P299-R409 WeakPolarHBondContact O-CD 3.48Å; P299-R409 PolarHBondContact O-NH1 2.72Å
300	A	98.8	Very high	98.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.1	-41.2	176.2	0	0	0	0	0	111.3	I280 Q281 G297 T298 I302 W303 S304	I280-A300 HydrophobicContact CD1-CB 4.46Å; Q281-A300 PolarHBondContact NE2-O 3.36Å; G297-A300 VanDerWaalsContact O-CB 3.3Å; G297-A300 WeakPolarHBondContact O-CB 3.46Å; G297-A300 PolarHBondContact O-N 2.99Å; T298-A300 PolarHBondContact O-N 3.23Å; T298-A300 VanDerWaalsContact O-N 3.17Å; A300-I302 VanDerWaalsContact C-N 3.27Å; A300-I302 PolarHBondContact O-N 3.25Å; A300-W303 WeakPolarHBondContact O-CB 3.41Å; A300-W303 PolarHBondContact O-N 3.36Å; A300-S304 PolarHBondContact O-N 3.29Å; A300-S304 VanDerWaalsContact O-N 3.12Å; A300-S304 PolarHBondContact O-OG 2.92Å
301	D	98.9	Very high	98.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.1	-33.4	176.1	-65.5	-25.2	0	0	0	111.9	L174 H178 H185 T186 I188 T298 P299 S304 T305	L174-D301 HydrophobicContact CD1-CB 4.08Å; L174-D301 HydrophobicContact CD2-CB 3.86Å; H178-D301 IonicContact CD2-OD2 3.55Å; H178-D301 IonicContact CE1-OD2 2.81Å; H178-D301 IonicContact NE2-OD2 3.69Å; H178-D301 PolarHBondContact NE2-OD2 2.83Å; H185-D301 PolarHBondContact N-OD1 2.82Å; H185-D301 PolarHBondContact N-OD2 3.04Å; T186-D301 PolarHBondContact N-OD1 2.84Å; I188-D301 HydrophobicContact CG1-CB 4.24Å; T298-D301 PolarHBondContact O-N 3.45Å; P299-D301 VanDerWaalsContact C-N 3.32Å; P299-D301 PolarHBondContact O-N 2.93Å; D301-S304 PolarHBondContact O-N 2.68Å; D301-T305 WeakPolarHBondContact O-CB 3.29Å; D301-T305 PolarHBondContact O-N 3.15Å; D301-T305 PolarHBondContact O-OG1 2.84Å
302	I	98.9	Very high	98.2	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-68.3	-40.1	178.1	-56.4	-59.4	0	0	0	111	L171 L174 P299 A300 T305 A306 M401 R409 A410 A412	L171-I302 HydrophobicContact CD2-CD1 4.11Å; L174-I302 HydrophobicContact CD1-CD1 4.27Å; P299-I302 PolarHBondContact O-N 3.4Å; A300-I302 VanDerWaalsContact C-N 3.27Å; A300-I302 PolarHBondContact O-N 3.25Å; I302-T305 PolarHBondContact O-N 3.02Å; I302-A306 PolarHBondContact O-N 3.29Å; I302-M401 HydrophobicContact CG2-CB 3.71Å; I302-M401 HydrophobicContact CG2-CE 3.93Å; I302-M401 HydrophobicContact CG2-CG 3.79Å; I302-M401 WeakPolarHBondContact O-CE 3.45Å; I302-R409 HydrophobicContact CG2-CG 4.33Å; I302-A410 WeakPolarHBondContact CG2-O 3.37Å; I302-A412 HydrophobicContact CD1-CB 3.92Å
303	W	98.9	Very high	98.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.5	-48.7	173	179.3	-75.3	0	0	0	111.3	R286 A287 L288 P299 A300 T305 A306 C307 F319 I337 L341 L402	R286-W303 PolarHBondContact O-NE1 2.89Å; A287-W303 HydrophobicContact CB-CB 3.8Å; A287-W303 HydrophobicContact CB-CD2 4.04Å; A287-W303 HydrophobicContact CB-CG 3.61Å; L288-W303 HydrophobicContact CB-CH2 4.27Å; L288-W303 HydrophobicContact CB-CZ3 4.46Å; P299-W303 PolarHBondContact O-N 2.98Å; P299-W303 VanDerWaalsContact O-N 3.16Å; A300-W303 WeakPolarHBondContact O-CB 3.41Å; A300-W303 PolarHBondContact O-N 3.36Å; W303-T305 VanDerWaalsContact C-N 3.26Å; W303-T305 PolarHBondContact O-N 2.97Å; W303-A306 WeakPolarHBondContact O-CB 3.34Å; W303-A306 PolarHBondContact O-N 3.36Å; W303-A306 VanDerWaalsContact O-N 3.11Å; W303-C307 PolarHBondContact O-N 3.45Å; W303-C307 VanDerWaalsContact O-N 3.08Å; W303-C307 PolarHBondContact O-SG 3.44Å; W303-F319 HydrophobicContact CZ2-CD2 4.42Å; W303-F319 AromaticContact CZ2-CE2 3.6Å; W303-F319 HydrophobicContact CZ2-CE2 3.6Å; W303-F319 HydrophobicContact CZ2-CZ 4.17Å; W303-I337 HydrophobicContact CH2-CD1 4.07Å; W303-I337 HydrophobicContact CH2-CG1 4.23Å; W303-I337 HydrophobicContact CH2-CG2 4.16Å; W303-I337 HydrophobicContact CZ2-CD1 3.72Å; W303-I337 HydrophobicContact CZ2-CG1 3.96Å; W303-L341 HydrophobicContact CH2-CD1 4.15Å; W303-L341 HydrophobicContact CZ3-CD1 4.48Å; W303-L402 HydrophobicContact CD2-CD2 3.88Å; W303-L402 HydrophobicContact CE3-CD2 3.96Å; W303-L402 HydrophobicContact CG-CD2 4.42Å; W303-L402 HydrophobicContact CH2-CD2 4.32Å; W303-L402 HydrophobicContact CZ2-CD2 4.24Å; W303-L402 HydrophobicContact CZ3-CB 4.34Å; W303-L402 HydrophobicContact CZ3-CD2 4.19Å; W303-L402 WeakPolarHBondContact CZ3-O 3.35Å
304	S	98.9	Very high	98.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.5	-39.2	176.9	-58.9	0	0	0	0	112	I188 Q281 Y285 A300 D301 A306 C307 M308	I188-S304 WeakPolarHBondContact O-CB 3.47Å; Q281-S304 PolarHBondContact NE2-OG 2.86Å; Y285-S304 PolarHBondContact O-OG 3.33Å; A300-S304 PolarHBondContact O-N 3.29Å; A300-S304 VanDerWaalsContact O-N 3.12Å; A300-S304 PolarHBondContact O-OG 2.92Å; D301-S304 PolarHBondContact O-N 2.68Å; S304-A306 VanDerWaalsContact C-N 3.33Å; S304-A306 PolarHBondContact O-N 2.62Å; S304-C307 PolarHBondContact O-N 3.23Å; S304-M308 WeakPolarHBondContact O-CB 3.28Å; S304-M308 PolarHBondContact O-N 3.11Å
305	T	98.9	Very high	98.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.9	-36.9	176	-54.7	0	0	0	0	112.1	I167 V170 L171 L174 D301 I302 W303 M308 A309 M401	I167-T305 HydrophobicContact CD1-CG2 4.25Å; I167-T305 HydrophobicContact CG2-CG2 4.33Å; V170-T305 HydrophobicContact CG1-CG2 4.03Å; L171-T305 HydrophobicContact CD2-CG2 4.18Å; L171-T305 HydrophobicContact CG-CG2 4.4Å; L174-T305 WeakPolarHBondContact CD1-OG1 3.49Å; D301-T305 WeakPolarHBondContact O-CB 3.29Å; D301-T305 PolarHBondContact O-N 3.15Å; D301-T305 PolarHBondContact O-OG1 2.84Å; I302-T305 PolarHBondContact O-N 3.02Å; W303-T305 VanDerWaalsContact C-N 3.26Å; W303-T305 PolarHBondContact O-N 2.97Å; T305-M308 HydrophobicContact CG2-CE 4.43Å; T305-M308 PolarHBondContact O-N 3.42Å; T305-A309 WeakPolarHBondContact O-CB 3.39Å; T305-A309 PolarHBondContact O-N 3.08Å; T305-M401 HydrophobicContact CG2-CE 3.78Å
306	A	98.9	Very high	98.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-66.8	-42.2	175.4	0	0	0	0	0	112.1	I302 W303 S304 A309 F310 L398 M401 L402	I302-A306 PolarHBondContact O-N 3.29Å; W303-A306 WeakPolarHBondContact O-CB 3.34Å; W303-A306 PolarHBondContact O-N 3.36Å; W303-A306 VanDerWaalsContact O-N 3.11Å; S304-A306 VanDerWaalsContact C-N 3.33Å; S304-A306 PolarHBondContact O-N 2.62Å; A306-A309 PolarHBondContact O-N 3.42Å; A306-F310 PolarHBondContact O-N 3.35Å; A306-F310 VanDerWaalsContact O-N 3.09Å; A306-L398 HydrophobicContact CB-CD2 4.05Å; A306-M401 HydrophobicContact CB-CB 3.7Å; A306-M401 HydrophobicContact CB-CE 4.07Å; A306-M401 HydrophobicContact CB-SD 4.37Å; A306-L402 HydrophobicContact CB-CD2 3.76Å; A306-L402 HydrophobicContact CB-CG 3.86Å
307	C	98.9	Very high	98.6	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.014	7%	0.067	C	C	.	.	H	α-helix	trans	-61.3	-46.2	174.9	-60.1	0	0	0	0	110.9	Y285 W303 S304 A309 F310 E311 L318	Y285-C307 HydrophobicContact CD1-CB 3.84Å; W303-C307 PolarHBondContact O-N 3.45Å; W303-C307 VanDerWaalsContact O-N 3.08Å; W303-C307 PolarHBondContact O-SG 3.44Å; S304-C307 PolarHBondContact O-N 3.23Å; C307-A309 PolarHBondContact O-N 2.89Å; C307-F310 PolarHBondContact O-N 2.94Å; C307-E311 PolarHBondContact O-N 2.92Å; C307-L318 HydrophobicContact CB-CB 4.45Å
308	M	98.8	Very high	98.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.6	-39.7	176.2	-178.3	177.9	66.6	0	0	112.4	I167 V170 I188 K189 P190 V193 Y285 S304 T305 F310 E311 L312	I167-M308 HydrophobicContact CD1-CE 3.95Å; V170-M308 HydrophobicContact CB-CE 4.41Å; V170-M308 HydrophobicContact CG1-CE 3.94Å; V170-M308 HydrophobicContact CG2-CE 3.97Å; I188-M308 HydrophobicContact CG2-CE 3.87Å; I188-M308 HydrophobicContact CG2-SD 4.26Å; K189-M308 VanDerWaalsContact C-SD 3.55Å; P190-M308 HydrophobicContact CG-CG 4Å; P190-M308 HydrophobicContact CG-SD 4.48Å; V193-M308 HydrophobicContact CG2-CE 4.19Å; V193-M308 HydrophobicContact CG2-SD 3.99Å; Y285-M308 HydrophobicContact CD1-CB 4.42Å; Y285-M308 HydrophobicContact CE1-CB 4.27Å; S304-M308 WeakPolarHBondContact O-CB 3.28Å; S304-M308 PolarHBondContact O-N 3.11Å; T305-M308 HydrophobicContact CG2-CE 4.43Å; T305-M308 PolarHBondContact O-N 3.42Å; M308-F310 VanDerWaalsContact C-N 3.33Å; M308-F310 PolarHBondContact O-N 2.97Å; M308-E311 PolarHBondContact O-N 2.81Å; M308-L312 HydrophobicContact CG-CD1 4.06Å; M308-L312 HydrophobicContact CG-CG 4.31Å; M308-L312 WeakPolarHBondContact O-CB 3.32Å; M308-L312 VanDerWaalsContact O-CG 3.26Å; M308-L312 WeakPolarHBondContact O-CG 3.45Å; M308-L312 PolarHBondContact O-N 2.87Å
309	A	98.8	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.7	-43.9	176.6	0	0	0	0	0	111.7	I167 T305 A306 C307 A313 F394 L398	I167-A309 HydrophobicContact CD1-CB 3.63Å; I167-A309 HydrophobicContact CG1-CB 3.74Å; T305-A309 WeakPolarHBondContact O-CB 3.39Å; T305-A309 PolarHBondContact O-N 3.08Å; A306-A309 PolarHBondContact O-N 3.42Å; C307-A309 PolarHBondContact O-N 2.89Å; A309-A313 WeakPolarHBondContact O-CB 3.27Å; A309-A313 PolarHBondContact O-N 3.38Å; A309-A313 VanDerWaalsContact O-N 3.11Å; A309-F394 HydrophobicContact CB-CE2 4.34Å; A309-F394 HydrophobicContact CB-CZ 4.25Å; A309-L398 HydrophobicContact CB-CD2 3.84Å
310	F	98.8	Very high	98.5	Very high	5 Å²	5	11.8 Å²	11.8	2%	0.022	6%	0.059	C	C	.	.	H	α-helix	trans	-61.5	-46	175.2	179.6	-86.3	0	0	0	111.6	A306 C307 M308 A313 T314 D316 L318 L376 V379 L380 Y384 L398	A306-F310 PolarHBondContact O-N 3.35Å; A306-F310 VanDerWaalsContact O-N 3.09Å; C307-F310 PolarHBondContact O-N 2.94Å; M308-F310 VanDerWaalsContact C-N 3.33Å; M308-F310 PolarHBondContact O-N 2.97Å; F310-A313 PolarHBondContact O-N 3.22Å; F310-A313 VanDerWaalsContact O-N 3.17Å; F310-T314 HydrophobicContact CD1-CG2 4.43Å; F310-T314 WeakPolarHBondContact CD1-OG1 3.4Å; F310-T314 HydrophobicContact CD2-CG2 4.3Å; F310-T314 HydrophobicContact CE1-CG2 4.17Å; F310-T314 VanDerWaalsContact CE1-OG1 3.32Å; F310-T314 WeakPolarHBondContact CE1-OG1 3.45Å; F310-T314 HydrophobicContact CE2-CG2 4.05Å; F310-T314 HydrophobicContact CZ-CG2 3.98Å; F310-T314 WeakPolarHBondContact O-CB 3.28Å; F310-T314 WeakPolarHBondContact O-CG2 3.39Å; F310-T314 PolarHBondContact O-N 2.91Å; F310-T314 PolarHBondContact O-OG1 3.09Å; F310-D316 WeakPolarHBondContact CD1-O 3.39Å; F310-L318 HydrophobicContact CB-CB 4.17Å; F310-L318 HydrophobicContact CB-CD1 4.35Å; F310-L318 HydrophobicContact CD1-CB 3.74Å; F310-L318 HydrophobicContact CD1-CD1 3.95Å; F310-L318 HydrophobicContact CD1-CG 4.44Å; F310-L318 HydrophobicContact CD2-CD1 3.72Å; F310-L318 HydrophobicContact CE1-CB 4.33Å; F310-L318 HydrophobicContact CE1-CD1 4.13Å; F310-L318 HydrophobicContact CE2-CD1 3.9Å; F310-L318 HydrophobicContact CG-CB 4.01Å; F310-L318 HydrophobicContact CG-CD1 3.74Å; F310-L318 HydrophobicContact CG-CG 4.36Å; F310-L318 HydrophobicContact CZ-CD1 4.09Å; F310-L376 HydrophobicContact CD2-CD1 3.86Å; F310-L376 HydrophobicContact CE2-CD1 3.82Å; F310-V379 HydrophobicContact CZ-CG1 4.49Å; F310-L380 HydrophobicContact CE2-CD2 4.1Å; F310-Y384 HydrophobicContact CE2-CE2 4.46Å; F310-Y384 AromaticContact CZ-CE2 3.76Å; F310-Y384 HydrophobicContact CZ-CE2 3.76Å; F310-L398 HydrophobicContact CB-CD1 4.25Å
311	E	98.7	Very high	98.4	Very high	3 Å²	3	12.1 Å²	12.1	1%	0.014	6%	0.062	C	C	.	.	H	α-helix	trans	-63.2	-43.9	179	-174.5	-171.7	171.2	0	0	112.3	I150 P190 Y285 C307 M308 A313 T314 G315 D316 Y317	I150-E311 HydrophobicContact CD1-CG 3.94Å; I150-E311 WeakPolarHBondContact CD1-OE1 3.44Å; P190-E311 WeakPolarHBondContact CG-OE2 3.43Å; Y285-E311 VanDerWaalsContact CE1-OE2 3.22Å; Y285-E311 WeakPolarHBondContact CE1-OE2 3.26Å; Y285-E311 VanDerWaalsContact CZ-OE2 3.26Å; Y285-E311 PolarHBondContact OH-OE1 3.5Å; Y285-E311 PolarHBondContact OH-OE2 3.05Å; C307-E311 PolarHBondContact O-N 2.92Å; M308-E311 PolarHBondContact O-N 2.81Å; E311-A313 PolarHBondContact O-N 2.98Å; E311-T314 PolarHBondContact O-N 3.16Å; E311-G315 VanDerWaalsContact O-CA 3.25Å; E311-G315 WeakPolarHBondContact O-CA 3.36Å; E311-G315 PolarHBondContact O-N 3.2Å; E311-D316 VanDerWaalsContact CA-O 3.23Å; E311-D316 WeakPolarHBondContact CA-O 3.44Å; E311-Y317 HydrophobicContact CG-CD1 4.32Å; E311-Y317 WeakPolarHBondContact OE1-CE1 3.42Å
312	L	98.4	Very high	98.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.2	-38	174.9	-69.9	170.1	0	0	0	111.5	L146 I150 G157 I158 V163 I166 I167 M308	L146-L312 HydrophobicContact CB-CD2 4.13Å; L146-L312 HydrophobicContact CD1-CD1 4.03Å; L146-L312 HydrophobicContact CD1-CD2 4.14Å; I150-L312 HydrophobicContact CD1-CD2 3.99Å; I150-L312 HydrophobicContact CG1-CD2 4.02Å; G157-L312 CarbonylContact C-O 3.58Å; G157-L312 VanDerWaalsContact CA-O 3.29Å; G157-L312 WeakPolarHBondContact CA-O 3.44Å; I158-L312 HydrophobicContact CD1-CB 4.36Å; I158-L312 HydrophobicContact CD1-CD2 4.27Å; I158-L312 WeakPolarHBondContact CG1-O 3.27Å; I158-L312 PolarHBondContact N-O 3.48Å; V163-L312 HydrophobicContact CG1-CB 4.19Å; V163-L312 HydrophobicContact CG2-CB 4.18Å; I166-L312 HydrophobicContact CG2-CD1 3.88Å; I167-L312 HydrophobicContact CD1-CD1 4.07Å; M308-L312 HydrophobicContact CG-CD1 4.06Å; M308-L312 HydrophobicContact CG-CG 4.31Å; M308-L312 WeakPolarHBondContact O-CB 3.32Å; M308-L312 VanDerWaalsContact O-CG 3.26Å; M308-L312 WeakPolarHBondContact O-CG 3.45Å; M308-L312 PolarHBondContact O-N 2.87Å
313	A	98.2	Very high	98	Very high	7 Å²	7	23.3 Å²	23.3	6%	0.058	12%	0.118	C	C	.	.	H	α-helix	trans	-79.4	-23.8	-176.9	0	0	0	0	0	114.2	L160 V163 A309 F310 E311 W386 F394	L160-A313 HydrophobicContact CD2-CB 3.86Å; V163-A313 HydrophobicContact CG1-CB 4.39Å; V163-A313 HydrophobicContact CG2-CB 4.16Å; A309-A313 WeakPolarHBondContact O-CB 3.27Å; A309-A313 PolarHBondContact O-N 3.38Å; A309-A313 VanDerWaalsContact O-N 3.11Å; F310-A313 PolarHBondContact O-N 3.22Å; F310-A313 VanDerWaalsContact O-N 3.17Å; E311-A313 PolarHBondContact O-N 2.98Å; A313-W386 HydrophobicContact CB-CH2 3.8Å; A313-W386 HydrophobicContact CB-CZ2 3.79Å; A313-F394 HydrophobicContact CB-CE1 3.92Å; A313-F394 HydrophobicContact CB-CZ 3.86Å
314	T	98.2	Very high	97.7	Very high	6 Å²	6	24.8 Å²	24.8	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-122.5	-18.3	-170.9	64.2	0	0	0	0	114.4	F310 E311 D316 L380 Y384 W386	F310-T314 HydrophobicContact CD1-CG2 4.43Å; F310-T314 WeakPolarHBondContact CD1-OG1 3.4Å; F310-T314 HydrophobicContact CD2-CG2 4.3Å; F310-T314 HydrophobicContact CE1-CG2 4.17Å; F310-T314 VanDerWaalsContact CE1-OG1 3.32Å; F310-T314 WeakPolarHBondContact CE1-OG1 3.45Å; F310-T314 HydrophobicContact CE2-CG2 4.05Å; F310-T314 HydrophobicContact CZ-CG2 3.98Å; F310-T314 WeakPolarHBondContact O-CB 3.28Å; F310-T314 WeakPolarHBondContact O-CG2 3.39Å; F310-T314 PolarHBondContact O-N 2.91Å; F310-T314 PolarHBondContact O-OG1 3.09Å; E311-T314 PolarHBondContact O-N 3.16Å; T314-D316 PolarHBondContact O-N 2.98Å; T314-D316 PolarHBondContact OG1-N 2.76Å; T314-D316 PolarHBondContact OG1-O 2.79Å; T314-L380 HydrophobicContact CG2-CD2 4.14Å; T314-Y384 HydrophobicContact CG2-CD1 4.11Å; T314-Y384 HydrophobicContact CG2-CD2 4.12Å; T314-Y384 HydrophobicContact CG2-CE1 4.1Å; T314-Y384 HydrophobicContact CG2-CE2 4.07Å; T314-Y384 HydrophobicContact CG2-CG 4.12Å; T314-W386 HydrophobicContact CG2-CZ2 4.41Å
315	G	97.6	Very high	97.4	Very high	4 Å²	4	30.9 Å²	30.9	4%	0.041	18%	0.177	C	C	.	.	S	Bend	trans	79.6	-8.8	-171.8	0	0	0	0	0	114.9	Y155 E311	Y155-G315 WeakPolarHBondContact O-CA 3.25Å; E311-G315 VanDerWaalsContact O-CA 3.25Å; E311-G315 WeakPolarHBondContact O-CA 3.36Å; E311-G315 PolarHBondContact O-N 3.2Å
316	D	97.9	Very high	97.1	Very high	59 Å²	59	38.3 Å²	38.3	32%	0.316	21%	0.211	S	C	.	.	S	Bend	trans	-108.7	150	-177.5	-78.9	-24.2	0	0	0	112	F310 E311 T314 K383 Y384	F310-D316 WeakPolarHBondContact CD1-O 3.39Å; E311-D316 VanDerWaalsContact CA-O 3.23Å; E311-D316 WeakPolarHBondContact CA-O 3.44Å; T314-D316 PolarHBondContact O-N 2.98Å; T314-D316 PolarHBondContact OG1-N 2.76Å; T314-D316 PolarHBondContact OG1-O 2.79Å; D316-K383 IonicContact OD2-NZ 3.79Å; D316-K383 PolarHBondContact OD2-NZ 3.16Å; D316-Y384 WeakPolarHBondContact CB-OH 3.49Å; D316-Y384 WeakPolarHBondContact OD2-CE1 3.47Å; D316-Y384 PolarHBondContact OD2-OH 2.94Å
317	Y	98.4	Very high	96.9	Very high	76 Å²	76	41.9 Å²	41.9	30%	0.298	23%	0.225	S	C	.	.			trans	-63	138.2	168	-61.9	-53.5	0	0	0	111.6	Q284 Y285 E311 F319 D320	Q284-Y317 HydrophobicContact CB-CD1 3.84Å; Q284-Y317 HydrophobicContact CB-CE1 4.27Å; Q284-Y317 HydrophobicContact CB-CG 4.06Å; Q284-Y317 HydrophobicContact CG-CD1 3.81Å; Q284-Y317 HydrophobicContact CG-CD2 3.78Å; Q284-Y317 HydrophobicContact CG-CE1 4.1Å; Q284-Y317 HydrophobicContact CG-CE2 4.05Å; Q284-Y317 HydrophobicContact CG-CG 3.65Å; Y285-Y317 WeakPolarHBondContact OH-CE1 3.3Å; E311-Y317 HydrophobicContact CG-CD1 4.32Å; E311-Y317 WeakPolarHBondContact OE1-CE1 3.42Å; Y317-F319 VanDerWaalsContact C-N 3.28Å; Y317-F319 PolarHBondContact O-N 2.69Å; Y317-D320 HydrophobicContact CD2-CB 4.29Å
318	L	98.4	Very high	96.7	Very high	22 Å²	22	43.2 Å²	43.2	12%	0.115	24%	0.239	C	C	.	.	S	Bend	trans	-63.1	-38.4	171.6	-177	59.6	0	0	0	111.5	C307 F310 L340 L376 L402	C307-L318 HydrophobicContact CB-CB 4.45Å; F310-L318 HydrophobicContact CB-CB 4.17Å; F310-L318 HydrophobicContact CB-CD1 4.35Å; F310-L318 HydrophobicContact CD1-CB 3.74Å; F310-L318 HydrophobicContact CD1-CD1 3.95Å; F310-L318 HydrophobicContact CD1-CG 4.44Å; F310-L318 HydrophobicContact CD2-CD1 3.72Å; F310-L318 HydrophobicContact CE1-CB 4.33Å; F310-L318 HydrophobicContact CE1-CD1 4.13Å; F310-L318 HydrophobicContact CE2-CD1 3.9Å; F310-L318 HydrophobicContact CG-CB 4.01Å; F310-L318 HydrophobicContact CG-CD1 3.74Å; F310-L318 HydrophobicContact CG-CG 4.36Å; F310-L318 HydrophobicContact CZ-CD1 4.09Å; L318-L340 HydrophobicContact CD1-CD2 3.73Å; L318-L340 HydrophobicContact CD2-CD2 4.36Å; L318-L340 HydrophobicContact CG-CD2 4.22Å; L318-L376 HydrophobicContact CD1-CD1 4.33Å; L318-L402 HydrophobicContact CD2-CD1 3.91Å; L318-L402 HydrophobicContact CD2-CD2 4.2Å
319	F	98.3	Very high	96.6	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.009	26%	0.259	C	S	.	.			trans	-133.9	111.6	176.3	-51.9	-60.5	0	0	0	109.8	Q284 W303 Y317 P321 H333 H336 I337 L340	Q284-F319 WeakPolarHBondContact CG-O 3.15Å; W303-F319 HydrophobicContact CZ2-CD2 4.42Å; W303-F319 AromaticContact CZ2-CE2 3.6Å; W303-F319 HydrophobicContact CZ2-CE2 3.6Å; W303-F319 HydrophobicContact CZ2-CZ 4.17Å; Y317-F319 VanDerWaalsContact C-N 3.28Å; Y317-F319 PolarHBondContact O-N 2.69Å; F319-P321 VanDerWaalsContact C-CD 3.41Å; F319-P321 VanDerWaalsContact O-CD 3.23Å; F319-P321 WeakPolarHBondContact O-CD 3.21Å; F319-H333 WeakPolarHBondContact CB-NE2 3.38Å; F319-H333 AromaticContact CD2-NE2 3.78Å; F319-H333 AromaticContact CG-NE2 3.75Å; F319-H336 HydrophobicContact CD1-CB 3.75Å; F319-H336 HydrophobicContact CE1-CB 4.43Å; F319-I337 HydrophobicContact CD1-CG1 4.26Å; F319-I337 HydrophobicContact CD2-CG1 4.43Å; F319-I337 HydrophobicContact CE1-CB 4.49Å; F319-I337 HydrophobicContact CE1-CG1 3.91Å; F319-I337 HydrophobicContact CE2-CG1 4.11Å; F319-I337 HydrophobicContact CG-CG1 4.5Å; F319-I337 HydrophobicContact CZ-CG1 3.83Å; F319-L340 HydrophobicContact CE1-CB 4.3Å; F319-L340 HydrophobicContact CE1-CD2 3.74Å; F319-L340 HydrophobicContact CZ-CD2 3.76Å
320	D	97.2	Very high	96.5	Very high	59 Å²	59	50.8 Å²	50.8	32%	0.316	27%	0.272	S	S	.	.			trans	-114.8	71.4	175.5	-178.1	38.2	0	0	0	111.5	Y317 R322 H336	Y317-D320 HydrophobicContact CD2-CB 4.29Å; D320-R322 IonicContact OD2-CZ 3.65Å; D320-R322 IonicContact OD2-NE 3.45Å; D320-R322 PolarHBondContact OD2-NE 2.81Å; D320-R322 IonicContact OD2-NH2 2.62Å; D320-R322 PolarHBondContact OD2-NH2 2.91Å; D320-H336 PolarHBondContact O-CE1 2.86Å
321	P	97	Very high	96.4	Very high	7 Å²	7	50.8 Å²	50.8	5%	0.045	27%	0.272	C	S	.	.			trans	-73.5	141.4	-171.7	31.4	-38.4	0	0	0	113.6	R283 F319 R329 D332 H333	R283-P321 HydrophobicContact CG-CG 3.98Å; F319-P321 VanDerWaalsContact C-CD 3.41Å; F319-P321 VanDerWaalsContact O-CD 3.23Å; F319-P321 WeakPolarHBondContact O-CD 3.21Å; P321-R329 WeakPolarHBondContact CB-O 3.37Å; P321-D332 VanDerWaalsContact CA-OD2 3.26Å; P321-D332 WeakPolarHBondContact CA-OD2 3.23Å; P321-D332 HydrophobicContact CB-CB 4.16Å; P321-H333 HydrophobicContact CB-CB 3.62Å; P321-H333 HydrophobicContact CG-CB 3.79Å
322	R	95.3	Very high	96.3	Very high	169 Å²	169	51.4 Å²	51.4	64%	0.638	28%	0.275	S	S	*	.			trans	-123.1	147.7	-178.6	-59.4	179.7	-173.7	176.8	2.4	111.1	D320 D332	D320-R322 IonicContact OD2-CZ 3.65Å; D320-R322 IonicContact OD2-NE 3.45Å; D320-R322 PolarHBondContact OD2-NE 2.81Å; D320-R322 IonicContact OD2-NH2 2.62Å; D320-R322 PolarHBondContact OD2-NH2 2.91Å; R322-D332 PolarHBondContact N-OD2 2.84Å; R322-D332 WeakPolarHBondContact O-CB 3.34Å
323	A	94	Very high	96.3	Very high	68 Å²	68	51.4 Å²	51.4	56%	0.562	28%	0.275	S	S	*	.			trans	-75.4	131.6	171	0	0	0	0	0	109.6	R329	A323-R329 HydrophobicContact CB-CG 4Å
324	G	92.4	Very high	96.3	Very high	32 Å²	32	51.1 Å²	51.1	33%	0.33	27%	0.273	S	S	.	.			trans	-93.7	-176.7	168.8	0	0	0	0	0	111.8	E326 Y327	G324-E326 VanDerWaalsContact C-N 3.31Å; G324-E326 PolarHBondContact O-N 2.91Å; G324-Y327 PolarHBondContact N-O 3.37Å
325	S	92.4	Very high	96.2	Very high	128 Å²	128	51 Å²	51	90%	0.895	27%	0.272	S	S	*	.	S	Bend	trans	-69.1	-28.7	174.2	53.5	0	0	0	0	113.2
326	E	92.4	Very high	96.2	Very high	156 Å²	156	53.2 Å²	53.2	73%	0.729	28%	0.281	S	S	*	.	S	Bend	trans	-115.6	-7.9	-173.5	-61.8	-169.9	170.5	0	0	114	G324 K367	G324-E326 VanDerWaalsContact C-N 3.31Å; G324-E326 PolarHBondContact O-N 2.91Å; E326-K367 WeakPolarHBondContact O-CD 3.48Å
327	Y	94.4	Very high	96.2	Very high	74 Å²	74	50.4 Å²	50.4	29%	0.29	27%	0.266	S	S	.	.	S	Bend	trans	-142	147.4	-174.1	62.2	-99.9	0	0	0	111	G324 D331 D332 I368	G324-Y327 PolarHBondContact N-O 3.37Å; Y327-D331 HydrophobicContact CD2-CB 4.37Å; Y327-D331 HydrophobicContact CG-CB 4.47Å; Y327-D332 HydrophobicContact CD2-CB 4.02Å; Y327-D332 HydrophobicContact CE2-CB 3.73Å; Y327-D332 WeakPolarHBondContact CE2-OD1 3.25Å; Y327-I368 HydrophobicContact CD1-CG1 4.06Å; Y327-I368 HydrophobicContact CD2-CD1 4.07Å; Y327-I368 HydrophobicContact CD2-CG1 4.29Å; Y327-I368 HydrophobicContact CE1-CG1 4.48Å; Y327-I368 HydrophobicContact CE2-CD1 4.36Å; Y327-I368 HydrophobicContact CG-CD1 4.22Å; Y327-I368 HydrophobicContact CG-CG1 3.95Å
328	G	95.7	Very high	96.2	Very high	30 Å²	30	47.6 Å²	47.6	31%	0.309	26%	0.256	S	S	.	.			trans	-85.5	174.2	-179.5	0	0	0	0	0	112.6	D330 D331 D332	G328-D330 PolarHBondContact O-N 3.03Å; G328-D331 PolarHBondContact N-OD2 2.89Å; G328-D331 WeakPolarHBondContact O-CB 3.3Å; G328-D331 PolarHBondContact O-N 3.27Å; G328-D331 VanDerWaalsContact O-N 3.11Å; G328-D332 PolarHBondContact O-N 2.81Å
329	R	96.4	Very high	96.1	Very high	109 Å²	109	49.1 Å²	49.1	41%	0.411	26%	0.263	S	S	.	.	H	α-helix	trans	-55.6	-37.6	175.5	-69.8	-170.7	-78.9	-165.4	-3.6	112.7	D17 P321 A323 D332 H333	D17-R329 IonicContact OD1-CZ 3.84Å; D17-R329 IonicContact OD1-NH1 2.95Å; D17-R329 PolarHBondContact OD1-NH1 2.8Å; D17-R329 IonicContact OD1-NH2 3.74Å; P321-R329 WeakPolarHBondContact CB-O 3.37Å; A323-R329 HydrophobicContact CB-CG 4Å; R329-D332 PolarHBondContact O-N 3.43Å; R329-H333 WeakPolarHBondContact O-CB 3.36Å; R329-H333 PolarHBondContact O-N 2.78Å
330	D	96.9	Very high	96.1	Very high	50 Å²	50	50 Å²	50	27%	0.267	27%	0.268	S	S	.	.	H	α-helix	trans	-68	-37.2	178.3	-68.9	-9.5	0	0	0	112.5	R283 G328 H333 L334 F358	R283-D330 IonicContact CZ-OD1 2.81Å; R283-D330 IonicContact NH1-OD1 3.64Å; R283-D330 PolarHBondContact NH1-OD1 3.35Å; R283-D330 IonicContact NH2-OD1 2.86Å; R283-D330 PolarHBondContact NH2-OD1 3.37Å; G328-D330 PolarHBondContact O-N 3.03Å; D330-H333 PolarHBondContact O-N 3.07Å; D330-L334 VanDerWaalsContact O-CG 3.27Å; D330-L334 WeakPolarHBondContact O-CG 3.31Å; D330-L334 PolarHBondContact O-N 3.42Å; D330-L334 VanDerWaalsContact O-N 3.1Å; D330-F358 HydrophobicContact CB-CE1 3.62Å; D330-F358 HydrophobicContact CB-CZ 3.81Å
331	D	96.8	Very high	96.1	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.027	26%	0.263	C	S	.	.	H	α-helix	trans	-61.2	-47.9	176	-66.5	-81.2	0	0	0	109.7	Y327 G328 L334 A335 K367 I368	Y327-D331 HydrophobicContact CD2-CB 4.37Å; Y327-D331 HydrophobicContact CG-CB 4.47Å; G328-D331 PolarHBondContact N-OD2 2.89Å; G328-D331 WeakPolarHBondContact O-CB 3.3Å; G328-D331 PolarHBondContact O-N 3.27Å; G328-D331 VanDerWaalsContact O-N 3.11Å; D331-L334 PolarHBondContact O-N 2.77Å; D331-A335 PolarHBondContact O-N 3.06Å; D331-A335 VanDerWaalsContact O-N 3.13Å; D331-K367 IonicContact OD1-NZ 3.44Å; D331-K367 PolarHBondContact OD1-NZ 3.45Å; D331-K367 IonicContact OD2-NZ 2.8Å; D331-K367 PolarHBondContact OD2-NZ 2.82Å; D331-I368 HydrophobicContact CB-CD1 4.04Å; D331-I368 WeakPolarHBondContact O-CD1 3.39Å
332	D	97	Very high	96	Very high	16 Å²	16	49.9 Å²	49.9	9%	0.086	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-39.9	179.3	-161.1	61.3	0	0	0	112.3	P321 R322 Y327 G328 R329 L334 A335 H336 I368	P321-D332 VanDerWaalsContact CA-OD2 3.26Å; P321-D332 WeakPolarHBondContact CA-OD2 3.23Å; P321-D332 HydrophobicContact CB-CB 4.16Å; R322-D332 PolarHBondContact N-OD2 2.84Å; R322-D332 WeakPolarHBondContact O-CB 3.34Å; Y327-D332 HydrophobicContact CD2-CB 4.02Å; Y327-D332 HydrophobicContact CE2-CB 3.73Å; Y327-D332 WeakPolarHBondContact CE2-OD1 3.25Å; G328-D332 PolarHBondContact O-N 2.81Å; R329-D332 PolarHBondContact O-N 3.43Å; D332-L334 VanDerWaalsContact C-N 3.33Å; D332-L334 PolarHBondContact O-N 2.64Å; D332-A335 WeakPolarHBondContact O-CA 3.3Å; D332-A335 WeakPolarHBondContact O-CB 3.41Å; D332-A335 PolarHBondContact O-N 3.24Å; D332-H336 PolarHBondContact O-N 3.12Å; D332-H336 IonicContact OD2-CE1 3.57Å; D332-H336 IonicContact OD2-NE2 3.7Å; D332-I368 HydrophobicContact CB-CD1 4.49Å
333	H	98	Very high	96	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-43.5	176.5	-160.3	174	0	0	0	111.7	R283 L291 F319 P321 R329 D330 A335 H336 I337	R283-H333 PolarHBondContact O-CE1 2.94Å; L291-H333 HydrophobicContact CD1-CB 4.08Å; F319-H333 WeakPolarHBondContact CB-NE2 3.38Å; F319-H333 AromaticContact CD2-NE2 3.78Å; F319-H333 AromaticContact CG-NE2 3.75Å; P321-H333 HydrophobicContact CB-CB 3.62Å; P321-H333 HydrophobicContact CG-CB 3.79Å; R329-H333 WeakPolarHBondContact O-CB 3.36Å; R329-H333 PolarHBondContact O-N 2.78Å; D330-H333 PolarHBondContact O-N 3.07Å; H333-A335 VanDerWaalsContact C-N 3.27Å; H333-A335 PolarHBondContact O-N 3.02Å; H333-H336 PolarHBondContact O-N 3.22Å; H333-I337 WeakPolarHBondContact O-CG1 3.47Å; H333-I337 PolarHBondContact O-N 3.03Å; H333-I337 VanDerWaalsContact O-N 3.13Å
334	L	97.4	Very high	96.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-64.6	-32.7	175.2	-66.4	169.3	0	0	0	112	L288 L291 I292 D330 D331 D332 I338 F358 F359 L365	L288-L334 HydrophobicContact CD1-CD2 3.17Å; L291-L334 HydrophobicContact CB-CD2 4.17Å; L291-L334 HydrophobicContact CD1-CD2 4.01Å; L291-L334 HydrophobicContact CD1-CG 4.42Å; I292-L334 HydrophobicContact CG2-CD1 4.46Å; I292-L334 HydrophobicContact CG2-CD2 3.91Å; D330-L334 VanDerWaalsContact O-CG 3.27Å; D330-L334 WeakPolarHBondContact O-CG 3.31Å; D330-L334 PolarHBondContact O-N 3.42Å; D330-L334 VanDerWaalsContact O-N 3.1Å; D331-L334 PolarHBondContact O-N 2.77Å; D332-L334 VanDerWaalsContact C-N 3.33Å; D332-L334 PolarHBondContact O-N 2.64Å; L334-I338 VanDerWaalsContact O-CD1 3.3Å; L334-I338 WeakPolarHBondContact O-CD1 3.32Å; L334-I338 WeakPolarHBondContact O-CG1 3.3Å; L334-I338 PolarHBondContact O-N 3.29Å; L334-I338 VanDerWaalsContact O-N 3.12Å; L334-F358 HydrophobicContact CD1-CB 3.48Å; L334-F358 VanDerWaalsContact CD1-CB 3.48Å; L334-F358 HydrophobicContact CD1-CD1 3.65Å; L334-F358 HydrophobicContact CD1-CD2 3.74Å; L334-F358 HydrophobicContact CD1-CE1 4.29Å; L334-F358 HydrophobicContact CD1-CE2 4.36Å; L334-F358 HydrophobicContact CD1-CG 3.33Å; L334-F359 HydrophobicContact CB-CZ 4.41Å; L334-F359 HydrophobicContact CD1-CE2 3.88Å; L334-F359 HydrophobicContact CD1-CZ 4.18Å; L334-F359 HydrophobicContact CD2-CE2 4.38Å; L334-F359 HydrophobicContact CD2-CZ 4.31Å; L334-L365 HydrophobicContact CB-CD2 3.96Å; L334-L365 HydrophobicContact CD1-CD2 4.38Å
335	A	97.2	Very high	96.2	Very high	3 Å²	3	45.2 Å²	45.2	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-48.2	174.8	0	0	0	0	0	111.9	D331 D332 H333 I337 I338 E339 L365 I368 M371	D331-A335 PolarHBondContact O-N 3.06Å; D331-A335 VanDerWaalsContact O-N 3.13Å; D332-A335 WeakPolarHBondContact O-CA 3.3Å; D332-A335 WeakPolarHBondContact O-CB 3.41Å; D332-A335 PolarHBondContact O-N 3.24Å; H333-A335 VanDerWaalsContact C-N 3.27Å; H333-A335 PolarHBondContact O-N 3.02Å; A335-I337 VanDerWaalsContact C-N 3.28Å; A335-I337 PolarHBondContact O-N 3.1Å; A335-I338 PolarHBondContact O-N 3.04Å; A335-E339 PolarHBondContact O-N 2.89Å; A335-L365 HydrophobicContact CB-CD1 3.7Å; A335-I368 HydrophobicContact CB-CD1 3.6Å; A335-I368 HydrophobicContact CB-CG2 4.04Å; A335-M371 HydrophobicContact CB-CG 4.46Å; A335-M371 HydrophobicContact CB-SD 3.83Å
336	H	97.1	Very high	96.3	Very high	51 Å²	51	45.7 Å²	45.7	24%	0.236	24%	0.238	C	C	.	.	H	α-helix	trans	-57.6	-41.7	176.7	-67.5	173.4	0	0	0	112.2	F319 D320 D332 H333 I338 E339 L340	F319-H336 HydrophobicContact CD1-CB 3.75Å; F319-H336 HydrophobicContact CE1-CB 4.43Å; D320-H336 PolarHBondContact O-CE1 2.86Å; D332-H336 PolarHBondContact O-N 3.12Å; D332-H336 IonicContact OD2-CE1 3.57Å; D332-H336 IonicContact OD2-NE2 3.7Å; H333-H336 PolarHBondContact O-N 3.22Å; H336-I338 VanDerWaalsContact C-N 3.33Å; H336-I338 PolarHBondContact O-N 3.43Å; H336-E339 IonicContact CD2-OE2 3.94Å; H336-E339 PolarHBondContact O-N 3.25Å; H336-L340 WeakPolarHBondContact O-CB 3.4Å; H336-L340 PolarHBondContact O-N 2.84Å; H336-L340 VanDerWaalsContact O-N 3.08Å
337	I	97.9	Very high	96.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-45	175.3	-71.3	171.4	0	0	0	110.8	L288 L291 W303 F319 H333 A335 L340 L341 Y404	L288-I337 HydrophobicContact CB-CD1 4.41Å; L288-I337 HydrophobicContact CD1-CD1 4.28Å; L291-I337 HydrophobicContact CD1-CD1 3.88Å; W303-I337 HydrophobicContact CH2-CD1 4.07Å; W303-I337 HydrophobicContact CH2-CG1 4.23Å; W303-I337 HydrophobicContact CH2-CG2 4.16Å; W303-I337 HydrophobicContact CZ2-CD1 3.72Å; W303-I337 HydrophobicContact CZ2-CG1 3.96Å; F319-I337 HydrophobicContact CD1-CG1 4.26Å; F319-I337 HydrophobicContact CD2-CG1 4.43Å; F319-I337 HydrophobicContact CE1-CB 4.49Å; F319-I337 HydrophobicContact CE1-CG1 3.91Å; F319-I337 HydrophobicContact CE2-CG1 4.11Å; F319-I337 HydrophobicContact CG-CG1 4.5Å; F319-I337 HydrophobicContact CZ-CG1 3.83Å; H333-I337 WeakPolarHBondContact O-CG1 3.47Å; H333-I337 PolarHBondContact O-N 3.03Å; H333-I337 VanDerWaalsContact O-N 3.13Å; A335-I337 VanDerWaalsContact C-N 3.28Å; A335-I337 PolarHBondContact O-N 3.1Å; I337-L340 PolarHBondContact O-N 2.97Å; I337-L341 HydrophobicContact CG2-CD1 4.27Å; I337-L341 WeakPolarHBondContact O-CB 3.5Å; I337-L341 PolarHBondContact O-N 3.15Å; I337-Y404 HydrophobicContact CG2-CE1 3.52Å
338	I	97.2	Very high	96.4	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.087	21%	0.214	C	C	.	.	H	α-helix	trans	-70.9	-35.8	-178.9	-68.1	162.6	0	0	0	112.1	L334 A335 H336 L340 G342 V344 F359 L365 M371	L334-I338 VanDerWaalsContact O-CD1 3.3Å; L334-I338 WeakPolarHBondContact O-CD1 3.32Å; L334-I338 WeakPolarHBondContact O-CG1 3.3Å; L334-I338 PolarHBondContact O-N 3.29Å; L334-I338 VanDerWaalsContact O-N 3.12Å; A335-I338 PolarHBondContact O-N 3.04Å; H336-I338 VanDerWaalsContact C-N 3.33Å; H336-I338 PolarHBondContact O-N 3.43Å; I338-L340 VanDerWaalsContact C-N 3.32Å; I338-G342 WeakPolarHBondContact CA-O 3.3Å; I338-G342 CarbonylContact O-C 3.51Å; I338-G342 WeakPolarHBondContact O-CA 3.32Å; I338-G342 PolarHBondContact O-N 2.93Å; I338-V344 HydrophobicContact CD1-CG2 4.22Å; I338-V344 HydrophobicContact CG1-CG2 3.88Å; I338-F359 HydrophobicContact CD1-CE1 3.77Å; I338-F359 HydrophobicContact CD1-CZ 4.2Å; I338-L365 HydrophobicContact CD1-CD1 4Å; I338-L365 HydrophobicContact CD1-CD2 4.29Å; I338-L365 HydrophobicContact CD1-CG 3.94Å; I338-M371 HydrophobicContact CB-CE 4.25Å; I338-M371 HydrophobicContact CB-SD 4.05Å; I338-M371 HydrophobicContact CG2-CE 3.54Å; I338-M371 HydrophobicContact CG2-SD 3.93Å
339	E	96.9	Very high	96.4	Very high	54 Å²	54	37.9 Å²	37.9	25%	0.252	20%	0.204	S	C	.	.	H	α-helix	trans	-63	-39.6	174.9	-78.3	-179.1	148.1	0	0	111.9	A335 H336 M371 T372 P373 W374	A335-E339 PolarHBondContact O-N 2.89Å; H336-E339 IonicContact CD2-OE2 3.94Å; H336-E339 PolarHBondContact O-N 3.25Å; E339-M371 HydrophobicContact CG-CB 3.62Å; E339-M371 HydrophobicContact CG-CG 4.04Å; E339-M371 HydrophobicContact CG-SD 4.31Å; E339-M371 WeakPolarHBondContact OE1-CA 2.98Å; E339-M371 WeakPolarHBondContact OE1-CB 3.41Å; E339-T372 PolarHBondContact OE1-N 2.87Å; E339-P373 VanDerWaalsContact O-CA 3.31Å; E339-P373 WeakPolarHBondContact O-CA 3.47Å; E339-W374 PolarHBondContact O-N 3.37Å
340	L	97.8	Very high	96.3	Very high	22 Å²	22	38.2 Å²	38.2	12%	0.115	22%	0.218	C	C	.	.	H	α-helix	trans	-79.2	-44.2	-179.1	-170.6	76.8	0	0	0	113.1	L318 F319 H336 I337 I338 L376 V379	L318-L340 HydrophobicContact CD1-CD2 3.73Å; L318-L340 HydrophobicContact CD2-CD2 4.36Å; L318-L340 HydrophobicContact CG-CD2 4.22Å; F319-L340 HydrophobicContact CE1-CB 4.3Å; F319-L340 HydrophobicContact CE1-CD2 3.74Å; F319-L340 HydrophobicContact CZ-CD2 3.76Å; H336-L340 WeakPolarHBondContact O-CB 3.4Å; H336-L340 PolarHBondContact O-N 2.84Å; H336-L340 VanDerWaalsContact O-N 3.08Å; I337-L340 PolarHBondContact O-N 2.97Å; I338-L340 VanDerWaalsContact C-N 3.32Å; L340-L376 HydrophobicContact CD1-CB 3.93Å; L340-L376 HydrophobicContact CD1-CD1 4.32Å; L340-L376 HydrophobicContact CG-CB 4.35Å; L340-V379 HydrophobicContact CD1-CG2 4.36Å
341	L	97.3	Very high	96.1	Very high	41 Å²	41	39.7 Å²	39.7	22%	0.215	23%	0.225	C	C	.	.	H	α-helix	trans	-112.3	-4.6	-166.7	-55.1	179.7	0	0	0	114	W303 I337 L399 L402 Y404	W303-L341 HydrophobicContact CH2-CD1 4.15Å; W303-L341 HydrophobicContact CZ3-CD1 4.48Å; I337-L341 HydrophobicContact CG2-CD1 4.27Å; I337-L341 WeakPolarHBondContact O-CB 3.5Å; I337-L341 PolarHBondContact O-N 3.15Å; L341-L399 HydrophobicContact CD2-CD2 3.7Å; L341-L402 HydrophobicContact CD1-CB 3.97Å; L341-L402 HydrophobicContact CD2-CB 4.36Å; L341-L402 HydrophobicContact CD2-CD1 4.39Å; L341-Y404 HydrophobicContact CB-CE1 4.35Å; L341-Y404 HydrophobicContact CB-CE2 4.25Å; L341-Y404 VanDerWaalsContact CB-OH 3.31Å; L341-Y404 WeakPolarHBondContact CB-OH 3.44Å; L341-Y404 HydrophobicContact CD1-CE1 4.12Å
342	G	95.4	Very high	95.8	Very high	22 Å²	22	39.9 Å²	39.9	23%	0.227	23%	0.228	C	C	.	.			trans	85.4	-172.6	-177.2	0	0	0	0	0	113.8	I338 Y404	I338-G342 WeakPolarHBondContact CA-O 3.3Å; I338-G342 CarbonylContact O-C 3.51Å; I338-G342 WeakPolarHBondContact O-CA 3.32Å; I338-G342 PolarHBondContact O-N 2.93Å; G342-Y404 PolarHBondContact O-OH 3.1Å
343	P	95.2	Very high	95.6	Very high	109 Å²	109	47.9 Å²	47.9	71%	0.708	26%	0.262	S	S	*	.	S	Bend	trans	-66.5	137.3	-172.6	26.7	-34.7	0	0	0	113.3	P345	P343-P345 WeakPolarHBondContact O-CD 3.36Å
344	V	95.9	Very high	95.2	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.042	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-66.6	125.5	176.1	-173.3	0	0	0	0	110.5	L288 I338 V348 L349 F359 Y404	L288-V344 HydrophobicContact CD2-CG1 3.87Å; L288-V344 HydrophobicContact CD2-CG2 4.25Å; I338-V344 HydrophobicContact CD1-CG2 4.22Å; I338-V344 HydrophobicContact CG1-CG2 3.88Å; V344-V348 HydrophobicContact CG1-CB 4.05Å; V344-V348 HydrophobicContact CG1-CG1 4.07Å; V344-L349 HydrophobicContact CB-CD2 3.95Å; V344-L349 HydrophobicContact CB-CG 4.21Å; V344-L349 HydrophobicContact CG1-CD2 3.59Å; V344-L349 HydrophobicContact CG1-CG 3.86Å; V344-F359 HydrophobicContact CG2-CE1 4.43Å; V344-F359 HydrophobicContact CG2-CZ 4.22Å; V344-Y404 HydrophobicContact CG2-CE1 4.02Å
345	P	95.3	Very high	95	Very high	55 Å²	55	48.9 Å²	48.9	36%	0.357	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-58.8	139.5	178.2	-25.6	34.2	0	0	0	112.5	P343 S347 V348 L349 Y404	P343-P345 WeakPolarHBondContact O-CD 3.36Å; P345-S347 PolarHBondContact O-N 3.16Å; P345-S347 VanDerWaalsContact O-N 3.15Å; P345-V348 HydrophobicContact CB-CG2 4.3Å; P345-V348 WeakPolarHBondContact O-CB 3.46Å; P345-V348 PolarHBondContact O-N 3.44Å; P345-L349 PolarHBondContact O-N 3.29Å; P345-L349 VanDerWaalsContact O-N 3.15Å; P345-Y404 HydrophobicContact CG-CD2 4.14Å
346	K	93.8	Very high	94.8	Very high	138 Å²	138	58.3 Å²	58.3	60%	0.6	31%	0.307	S	S	*	.	H	α-helix	trans	-55.7	-35.4	178.5	-72.6	-174.9	179.2	176.9	0	113.1	V348 L349 T350	K346-V348 PolarHBondContact O-N 3.13Å; K346-L349 PolarHBondContact O-N 3.07Å; K346-T350 WeakPolarHBondContact O-CG2 3.26Å; K346-T350 PolarHBondContact O-N 3.26Å; K346-T350 PolarHBondContact O-OG1 2.85Å; K346-T350 VanDerWaalsContact O-OG1 3.14Å
347	S	94.2	Very high	94.7	Very high	72 Å²	72	62.3 Å²	62.3	50%	0.503	33%	0.325	S	S	.	.	H	α-helix	trans	-59.7	-33.3	176.7	55.3	0	0	0	0	112.6	P345 T350 M351	P345-S347 PolarHBondContact O-N 3.16Å; P345-S347 VanDerWaalsContact O-N 3.15Å; S347-T350 WeakPolarHBondContact CA-OG1 3.28Å; S347-T350 PolarHBondContact O-OG1 2.79Å; S347-M351 WeakPolarHBondContact O-CG 3.46Å
348	V	95.2	Very high	94.6	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.024	33%	0.33	C	S	.	.	H	α-helix	trans	-77.3	-45.1	176.1	178.7	0	0	0	0	110.5	L288 I292 V344 P345 K346 T350 M351 D405	L288-V348 HydrophobicContact CD2-CG1 4.09Å; I292-V348 HydrophobicContact CD1-CG1 4.2Å; V344-V348 HydrophobicContact CG1-CB 4.05Å; V344-V348 HydrophobicContact CG1-CG1 4.07Å; P345-V348 HydrophobicContact CB-CG2 4.3Å; P345-V348 WeakPolarHBondContact O-CB 3.46Å; P345-V348 PolarHBondContact O-N 3.44Å; K346-V348 PolarHBondContact O-N 3.13Å; V348-T350 PolarHBondContact O-N 2.7Å; V348-M351 HydrophobicContact CB-CE 4.06Å; V348-M351 HydrophobicContact CG1-CE 3.97Å; V348-M351 HydrophobicContact CG2-CE 4.03Å; V348-M351 WeakPolarHBondContact O-CB 3.44Å; V348-M351 PolarHBondContact O-N 2.75Å; V348-D405 HydrophobicContact CG2-CB 4.06Å
349	L	95	Very high	94.5	Very high	19 Å²	19	62.9 Å²	62.9	10%	0.099	33%	0.327	C	S	.	.	H	α-helix	trans	-58.6	-33.9	177.1	-63.1	-178.9	0	0	0	112.7	V344 P345 K346 M351 G352 S355 F359	V344-L349 HydrophobicContact CB-CD2 3.95Å; V344-L349 HydrophobicContact CB-CG 4.21Å; V344-L349 HydrophobicContact CG1-CD2 3.59Å; V344-L349 HydrophobicContact CG1-CG 3.86Å; P345-L349 PolarHBondContact O-N 3.29Å; P345-L349 VanDerWaalsContact O-N 3.15Å; K346-L349 PolarHBondContact O-N 3.07Å; L349-M351 VanDerWaalsContact C-N 3.25Å; L349-M351 PolarHBondContact O-N 2.93Å; L349-G352 PolarHBondContact O-N 3.14Å; L349-S355 WeakPolarHBondContact O-CB 3.38Å; L349-S355 PolarHBondContact O-OG 2.76Å; L349-F359 HydrophobicContact CD1-CB 4.36Å; L349-F359 HydrophobicContact CD1-CD1 4.11Å; L349-F359 HydrophobicContact CD1-CG 4.09Å; L349-F359 HydrophobicContact CD2-CD1 4.17Å; L349-F359 HydrophobicContact CD2-CD2 3.54Å; L349-F359 HydrophobicContact CD2-CE1 4.1Å; L349-F359 HydrophobicContact CD2-CE2 3.5Å; L349-F359 VanDerWaalsContact CD2-CE2 3.5Å; L349-F359 HydrophobicContact CD2-CG 3.9Å; L349-F359 HydrophobicContact CD2-CZ 3.79Å
350	T	93.9	Very high	94.4	Very high	116 Å²	116	65.1 Å²	65.1	71%	0.712	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.4	176.9	46.1	0	0	0	0	114.2	K346 S347 V348	K346-T350 WeakPolarHBondContact O-CG2 3.26Å; K346-T350 PolarHBondContact O-N 3.26Å; K346-T350 PolarHBondContact O-OG1 2.85Å; K346-T350 VanDerWaalsContact O-OG1 3.14Å; S347-T350 WeakPolarHBondContact CA-OG1 3.28Å; S347-T350 PolarHBondContact O-OG1 2.79Å; V348-T350 PolarHBondContact O-N 2.7Å
351	M	92.5	Very high	94	Very high	81 Å²	81	75.6 Å²	75.6	40%	0.399	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-32.8	175.4	-57.3	-169.9	-74.3	0	0	111.8	A294 S347 V348 L349 K353	A294-M351 HydrophobicContact CB-CB 3.81Å; S347-M351 WeakPolarHBondContact O-CG 3.46Å; V348-M351 HydrophobicContact CB-CE 4.06Å; V348-M351 HydrophobicContact CG1-CE 3.97Å; V348-M351 HydrophobicContact CG2-CE 4.03Å; V348-M351 WeakPolarHBondContact O-CB 3.44Å; V348-M351 PolarHBondContact O-N 2.75Å; L349-M351 VanDerWaalsContact C-N 3.25Å; L349-M351 PolarHBondContact O-N 2.93Å; M351-K353 PolarHBondContact O-N 3.33Å
352	G	91.3	Very high	93.7	Very high	9 Å²	9	78.3 Å²	78.3	9%	0.093	39%	0.392	C	S	.	.			trans	-77.7	118.2	-176	0	0	0	0	0	113.9	I292 L349 G354 S355	I292-G352 CarbonylContact O-C 3.54Å; I292-G352 WeakPolarHBondContact O-CA 3.36Å; L349-G352 PolarHBondContact O-N 3.14Å; G352-G354 PolarHBondContact O-N 3.39Å; G352-S355 WeakPolarHBondContact CA-OG 3.5Å; G352-S355 WeakPolarHBondContact O-CB 3.11Å; G352-S355 PolarHBondContact O-N 2.94Å; G352-S355 PolarHBondContact O-OG 3.15Å; G352-S355 VanDerWaalsContact O-OG 3.12Å
353	K	92	Very high	93.5	Very high	184 Å²	184	78 Å²	78	80%	0.8	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-32	173.3	-64.4	174.1	-174.8	167.6	0	111.5	I292 G293 M351	I292-K353 PolarHBondContact O-N 3.17Å; G293-K353 PolarHBondContact O-N 2.74Å; M351-K353 PolarHBondContact O-N 3.33Å
354	G	90.1	Very high	93.4	Very high	16 Å²	16	76.5 Å²	76.5	17%	0.165	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-16.9	179.1	0	0	0	0	0	114.7	I292 G352 R356 H357 F358	I292-G354 VanDerWaalsContact O-CA 3.3Å; I292-G354 WeakPolarHBondContact O-CA 3.36Å; I292-G354 PolarHBondContact O-N 3.36Å; G352-G354 PolarHBondContact O-N 3.39Å; G354-R356 PolarHBondContact O-N 3.08Å; G354-H357 WeakPolarHBondContact O-CB 3.27Å; G354-H357 PolarHBondContact O-N 3.23Å; G354-H357 PolarHBondContact O-ND1 3.29Å; G354-F358 WeakPolarHBondContact O-CD2 3.45Å
355	S	93.5	Very high	93.4	Very high	7 Å²	7	76.2 Å²	76.2	5%	0.049	38%	0.376	C	S	.	.	H	α-helix	trans	-52.4	-33.4	-172.5	-59.7	0	0	0	0	114.5	L349 G352 H357 F358 F359	L349-S355 WeakPolarHBondContact O-CB 3.38Å; L349-S355 PolarHBondContact O-OG 2.76Å; G352-S355 WeakPolarHBondContact CA-OG 3.5Å; G352-S355 WeakPolarHBondContact O-CB 3.11Å; G352-S355 PolarHBondContact O-N 2.94Å; G352-S355 PolarHBondContact O-OG 3.15Å; G352-S355 VanDerWaalsContact O-OG 3.12Å; S355-H357 PolarHBondContact O-N 3.45Å; S355-F358 PolarHBondContact O-N 2.94Å; S355-F359 WeakPolarHBondContact O-CB 3.44Å; S355-F359 WeakPolarHBondContact O-CD2 3.45Å; S355-F359 PolarHBondContact O-N 2.84Å
356	R	93.7	Very high	93.4	Very high	200 Å²	200	79.2 Å²	79.2	76%	0.755	38%	0.38	S	S	*	.	H	α-helix	trans	-65.7	-24.3	-179.9	-70.1	-175.1	-71.3	171.5	-2.2	113.6	G354 R366	G354-R356 PolarHBondContact O-N 3.08Å; R356-R366 PolarHBondContact O-NE 3.36Å; R356-R366 PolarHBondContact O-NH2 2.89Å
357	H	94.2	Very high	93.5	Very high	135 Å²	135	77.3 Å²	77.3	63%	0.625	37%	0.372	S	S	*	.	H	α-helix	trans	-74.1	-34.1	176.8	-62.9	94.5	0	0	0	112	G354 S355 R366	G354-H357 WeakPolarHBondContact O-CB 3.27Å; G354-H357 PolarHBondContact O-N 3.23Å; G354-H357 PolarHBondContact O-ND1 3.29Å; S355-H357 PolarHBondContact O-N 3.45Å; H357-R366 WeakPolarHBondContact O-CD 3.14Å
358	F	95.6	Very high	93.4	Very high	22 Å²	22	75.3 Å²	75.3	10%	0.096	36%	0.355	C	S	.	.	H	α-helix	trans	-96.4	-36.4	-175.9	-54.4	-68.3	0	0	0	112.8	L291 D330 L334 G354 S355 L365 R366	L291-F358 WeakPolarHBondContact O-CE2 3.36Å; D330-F358 HydrophobicContact CB-CE1 3.62Å; D330-F358 HydrophobicContact CB-CZ 3.81Å; L334-F358 HydrophobicContact CD1-CB 3.48Å; L334-F358 VanDerWaalsContact CD1-CB 3.48Å; L334-F358 HydrophobicContact CD1-CD1 3.65Å; L334-F358 HydrophobicContact CD1-CD2 3.74Å; L334-F358 HydrophobicContact CD1-CE1 4.29Å; L334-F358 HydrophobicContact CD1-CE2 4.36Å; L334-F358 HydrophobicContact CD1-CG 3.33Å; G354-F358 WeakPolarHBondContact O-CD2 3.45Å; S355-F358 PolarHBondContact O-N 2.94Å; F358-L365 HydrophobicContact CB-CD2 4.41Å; F358-L365 CarbonylContact O-C 3.56Å; F358-L365 WeakPolarHBondContact O-CA 3.33Å; F358-R366 PolarHBondContact O-N 3.4Å
359	F	96	Very high	92.9	Very high	7 Å²	7	77.3 Å²	77.3	3%	0.031	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-113.6	139.8	-170	-62.1	-87.5	0	0	0	113.4	I292 L334 I338 V344 L349 S355 G363 V364 L365 R366	I292-F359 HydrophobicContact CG2-CE2 4.18Å; L334-F359 HydrophobicContact CB-CZ 4.41Å; L334-F359 HydrophobicContact CD1-CE2 3.88Å; L334-F359 HydrophobicContact CD1-CZ 4.18Å; L334-F359 HydrophobicContact CD2-CE2 4.38Å; L334-F359 HydrophobicContact CD2-CZ 4.31Å; I338-F359 HydrophobicContact CD1-CE1 3.77Å; I338-F359 HydrophobicContact CD1-CZ 4.2Å; V344-F359 HydrophobicContact CG2-CE1 4.43Å; V344-F359 HydrophobicContact CG2-CZ 4.22Å; L349-F359 HydrophobicContact CD1-CB 4.36Å; L349-F359 HydrophobicContact CD1-CD1 4.11Å; L349-F359 HydrophobicContact CD1-CG 4.09Å; L349-F359 HydrophobicContact CD2-CD1 4.17Å; L349-F359 HydrophobicContact CD2-CD2 3.54Å; L349-F359 HydrophobicContact CD2-CE1 4.1Å; L349-F359 HydrophobicContact CD2-CE2 3.5Å; L349-F359 VanDerWaalsContact CD2-CE2 3.5Å; L349-F359 HydrophobicContact CD2-CG 3.9Å; L349-F359 HydrophobicContact CD2-CZ 3.79Å; S355-F359 WeakPolarHBondContact O-CB 3.44Å; S355-F359 WeakPolarHBondContact O-CD2 3.45Å; S355-F359 PolarHBondContact O-N 2.84Å; F359-G363 WeakPolarHBondContact CD1-O 3.43Å; F359-V364 WeakPolarHBondContact CA-O 3.47Å; F359-L365 HydrophobicContact CD1-CD2 3.95Å; F359-L365 HydrophobicContact CE1-CD2 3.55Å; F359-L365 HydrophobicContact CE1-CG 4.16Å; F359-L365 HydrophobicContact CE2-CD2 4.34Å; F359-L365 HydrophobicContact CZ-CD2 3.76Å; F359-R366 PolarHBondContact O-NE 2.84Å; F359-R366 PolarHBondContact O-NH2 2.86Å; F359-R366 VanDerWaalsContact O-NH2 3.14Å
360	K	93.9	Very high	92.5	Very high	101 Å²	101	83.1 Å²	83.1	44%	0.439	42%	0.416	S	S	.	.			trans	-70	163.4	164.6	-62.1	177.9	-172	172.7	0	109.3	T362 G363 V364 R366	K360-T362 PolarHBondContact O-N 3.34Å; K360-G363 PolarHBondContact O-N 2.89Å; K360-V364 PolarHBondContact N-O 3.17Å; K360-R366 HydrophobicContact CG-CG 3.72Å
361	R	90.6	Very high	92.2	Very high	243 Å²	243	80 Å²	80	92%	0.917	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.9	174.4	-72.4	-175.3	180	157.7	-0.1	113.4	G363	R361-G363 VanDerWaalsContact C-N 3.25Å; R361-G363 PolarHBondContact O-N 2.82Å
362	T	90.7	Very high	92.2	Very high	97 Å²	97	81.4 Å²	81.4	60%	0.595	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.7	176.1	52.9	0	0	0	0	113.1	K360	K360-T362 PolarHBondContact O-N 3.34Å
363	G	91.2	Very high	92.4	Very high	16 Å²	16	86 Å²	86	17%	0.165	44%	0.436	C	S	.	.	S	Bend	trans	94.5	2.7	-173	0	0	0	0	0	114.2	F359 K360 R361	F359-G363 WeakPolarHBondContact CD1-O 3.43Å; K360-G363 PolarHBondContact O-N 2.89Å; R361-G363 VanDerWaalsContact C-N 3.25Å; R361-G363 PolarHBondContact O-N 2.82Å
364	V	93.2	Very high	92.6	Very high	77 Å²	77	82.3 Å²	82.3	47%	0.467	42%	0.417	S	S	.	.	S	Bend	trans	-91.4	147.1	177.1	-175.8	0	0	0	0	110.1	F359 K360	F359-V364 WeakPolarHBondContact CA-O 3.47Å; K360-V364 PolarHBondContact N-O 3.17Å
365	L	95.8	Very high	92.9	Very high	2 Å²	2	83.7 Å²	83.7	1%	0.01	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	-56.1	146.9	173.8	-68.5	174.1	0	0	0	112	L334 A335 I338 F358 F359 I368 M371	L334-L365 HydrophobicContact CB-CD2 3.96Å; L334-L365 HydrophobicContact CD1-CD2 4.38Å; A335-L365 HydrophobicContact CB-CD1 3.7Å; I338-L365 HydrophobicContact CD1-CD1 4Å; I338-L365 HydrophobicContact CD1-CD2 4.29Å; I338-L365 HydrophobicContact CD1-CG 3.94Å; F358-L365 HydrophobicContact CB-CD2 4.41Å; F358-L365 CarbonylContact O-C 3.56Å; F358-L365 WeakPolarHBondContact O-CA 3.33Å; F359-L365 HydrophobicContact CD1-CD2 3.95Å; F359-L365 HydrophobicContact CE1-CD2 3.55Å; F359-L365 HydrophobicContact CE1-CG 4.16Å; F359-L365 HydrophobicContact CE2-CD2 4.34Å; F359-L365 HydrophobicContact CZ-CD2 3.76Å; L365-I368 HydrophobicContact CB-CB 4.35Å; L365-I368 HydrophobicContact CD1-CB 4.1Å; L365-I368 HydrophobicContact CD1-CD1 4.32Å; L365-M371 HydrophobicContact CD1-CE 4.41Å; L365-M371 HydrophobicContact CD1-SD 3.97Å
366	R	95.2	Very high	93.1	Very high	118 Å²	118	83.5 Å²	83.5	45%	0.445	42%	0.422	S	S	.	.	S	Bend	trans	-79.4	-46	-176.8	-77.3	-179.2	-178.8	-82.2	-2.3	112.7	R356 H357 F358 F359 K360	R356-R366 PolarHBondContact O-NE 3.36Å; R356-R366 PolarHBondContact O-NH2 2.89Å; H357-R366 WeakPolarHBondContact O-CD 3.14Å; F358-R366 PolarHBondContact O-N 3.4Å; F359-R366 PolarHBondContact O-NE 2.84Å; F359-R366 PolarHBondContact O-NH2 2.86Å; F359-R366 VanDerWaalsContact O-NH2 3.14Å; K360-R366 HydrophobicContact CG-CG 3.72Å
367	K	94.8	Very high	93.2	Very high	98 Å²	98	77.6 Å²	77.6	43%	0.426	40%	0.402	S	S	.	.	S	Bend	trans	-105.6	-15.6	-166.6	-50.7	-176.3	-158.8	154.9	0	113.9	E326 D331	E326-K367 WeakPolarHBondContact O-CD 3.48Å; D331-K367 IonicContact OD1-NZ 3.44Å; D331-K367 PolarHBondContact OD1-NZ 3.45Å; D331-K367 IonicContact OD2-NZ 2.8Å; D331-K367 PolarHBondContact OD2-NZ 2.82Å
368	I	92.1	Very high	93.4	Very high	29 Å²	29	74.1 Å²	74.1	15%	0.149	39%	0.388	C	S	.	.			trans	-103.2	135.3	180	-64	178.8	0	0	0	109	Y327 D331 D332 A335 L365 M371	Y327-I368 HydrophobicContact CD1-CG1 4.06Å; Y327-I368 HydrophobicContact CD2-CD1 4.07Å; Y327-I368 HydrophobicContact CD2-CG1 4.29Å; Y327-I368 HydrophobicContact CE1-CG1 4.48Å; Y327-I368 HydrophobicContact CE2-CD1 4.36Å; Y327-I368 HydrophobicContact CG-CD1 4.22Å; Y327-I368 HydrophobicContact CG-CG1 3.95Å; D331-I368 HydrophobicContact CB-CD1 4.04Å; D331-I368 WeakPolarHBondContact O-CD1 3.39Å; D332-I368 HydrophobicContact CB-CD1 4.49Å; A335-I368 HydrophobicContact CB-CD1 3.6Å; A335-I368 HydrophobicContact CB-CG2 4.04Å; L365-I368 HydrophobicContact CB-CB 4.35Å; L365-I368 HydrophobicContact CD1-CB 4.1Å; L365-I368 HydrophobicContact CD1-CD1 4.32Å; I368-M371 HydrophobicContact CG2-CG 4.28Å
369	G	86.1	Confident	93.5	Very high	47 Å²	47	73.9 Å²	73.9	49%	0.485	39%	0.388	S	S	.	.			trans	-74	-159	-176.7	0	0	0	0	0	113.6	M371	G369-M371 PolarHBondContact O-N 2.75Å
370	P	85.7	Confident	93.6	Very high	140 Å²	140	73.5 Å²	73.5	91%	0.909	39%	0.387	S	S	*	.			trans	-58.9	134.3	173.1	26.9	-33.2	0	0	0	110.1
371	M	89	Confident	93.8	Very high	51 Å²	51	70.6 Å²	70.6	25%	0.251	38%	0.377	S	S	.	.			trans	-100.1	158.4	-179.9	-74.5	172.2	-67.2	0	0	109.8	A335 I338 E339 L365 I368 G369 P373	A335-M371 HydrophobicContact CB-CG 4.46Å; A335-M371 HydrophobicContact CB-SD 3.83Å; I338-M371 HydrophobicContact CB-CE 4.25Å; I338-M371 HydrophobicContact CB-SD 4.05Å; I338-M371 HydrophobicContact CG2-CE 3.54Å; I338-M371 HydrophobicContact CG2-SD 3.93Å; E339-M371 HydrophobicContact CG-CB 3.62Å; E339-M371 HydrophobicContact CG-CG 4.04Å; E339-M371 HydrophobicContact CG-SD 4.31Å; E339-M371 WeakPolarHBondContact OE1-CA 2.98Å; E339-M371 WeakPolarHBondContact OE1-CB 3.41Å; L365-M371 HydrophobicContact CD1-CE 4.41Å; L365-M371 HydrophobicContact CD1-SD 3.97Å; I368-M371 HydrophobicContact CG2-CG 4.28Å; G369-M371 PolarHBondContact O-N 2.75Å; M371-P373 WeakPolarHBondContact O-CD 3.46Å
372	T	91.9	Very high	94.2	Very high	110 Å²	110	64.6 Å²	64.6	68%	0.675	36%	0.36	S	S	*	.			trans	-109.6	96.3	176.7	-52.9	0	0	0	0	108.8	E339 W374	E339-T372 PolarHBondContact OE1-N 2.87Å; T372-W374 PolarHBondContact O-N 3.11Å
373	P	94.8	Very high	94.5	Very high	107 Å²	107	64.6 Å²	64.6	70%	0.695	35%	0.351	S	S	*	.			trans	-59.5	132.2	-178.8	-22.4	33.3	0	0	0	111.3	E339 M371	E339-P373 VanDerWaalsContact O-CA 3.31Å; E339-P373 WeakPolarHBondContact O-CA 3.47Å; M371-P373 WeakPolarHBondContact O-CD 3.46Å
374	W	96.4	Very high	94.8	Very high	106 Å²	106	65.9 Å²	65.9	40%	0.402	35%	0.352	S	S	.	.			trans	-139.4	102.2	176.6	-162.7	8.5	0	0	0	108	E339 T372 V379 E382 K383	E339-W374 PolarHBondContact O-N 3.37Å; T372-W374 PolarHBondContact O-N 3.11Å; W374-V379 HydrophobicContact CB-CG2 4.01Å; W374-V379 HydrophobicContact CD2-CB 4.5Å; W374-V379 HydrophobicContact CD2-CG2 3.53Å; W374-V379 HydrophobicContact CE3-CG2 4.07Å; W374-V379 HydrophobicContact CG-CG2 3.47Å; W374-V379 VanDerWaalsContact CG-CG2 3.47Å; W374-E382 HydrophobicContact CZ2-CB 3.97Å; W374-E382 PolarHBondContact NE1-OE2 2.73Å; W374-K383 HydrophobicContact CH2-CB 3.86Å; W374-K383 HydrophobicContact CH2-CD 4.48Å; W374-K383 HydrophobicContact CH2-CG 4.47Å; W374-K383 HydrophobicContact CZ2-CB 4.03Å
375	S	96.5	Very high	95	Very high	44 Å²	44	69.7 Å²	69.7	31%	0.308	36%	0.364	S	S	.	.			trans	-64.8	151.9	-172	82.8	0	0	0	0	111.1	K377 D378 V379	S375-K377 PolarHBondContact O-N 3.23Å; S375-K377 VanDerWaalsContact O-N 3.12Å; S375-D378 WeakPolarHBondContact CB-OD2 3.48Å; S375-D378 PolarHBondContact O-N 3.08Å; S375-D378 PolarHBondContact OG-N 2.57Å; S375-D378 PolarHBondContact OG-OD2 2.74Å; S375-V379 WeakPolarHBondContact O-CG2 3.5Å; S375-V379 PolarHBondContact O-N 3.04Å
376	L	97.4	Very high	95.1	Very high	4 Å²	4	71.4 Å²	71.4	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-51.2	-40.6	179.3	177.9	60.2	0	0	0	112.8	F310 L318 L340 L380 A395 L398 L399	F310-L376 HydrophobicContact CD2-CD1 3.86Å; F310-L376 HydrophobicContact CE2-CD1 3.82Å; L318-L376 HydrophobicContact CD1-CD1 4.33Å; L340-L376 HydrophobicContact CD1-CB 3.93Å; L340-L376 HydrophobicContact CD1-CD1 4.32Å; L340-L376 HydrophobicContact CG-CB 4.35Å; L376-L380 HydrophobicContact CD1-CD1 4.27Å; L376-L380 HydrophobicContact CD1-CG 4.45Å; L376-L380 HydrophobicContact CG-CD1 4.2Å; L376-L380 WeakPolarHBondContact O-CD1 3.39Å; L376-L380 VanDerWaalsContact O-CG 3.23Å; L376-L380 WeakPolarHBondContact O-CG 3.34Å; L376-L380 PolarHBondContact O-N 3.42Å; L376-L380 VanDerWaalsContact O-N 3.11Å; L376-A395 HydrophobicContact CD2-CB 4.01Å; L376-A395 HydrophobicContact CG-CB 4.12Å; L376-L398 HydrophobicContact CD2-CB 3.85Å; L376-L398 HydrophobicContact CD2-CD1 4.06Å; L376-L399 HydrophobicContact CD2-CD2 4.49Å; L376-L399 HydrophobicContact CD2-CG 4.45Å
377	K	97.2	Very high	95.2	Very high	75 Å²	75	68.3 Å²	68.3	33%	0.326	37%	0.367	S	S	.	.	H	α-helix	trans	-63.4	-48.4	176.3	178.1	-163.2	170.4	174.5	0	111.6	S375 V379 L380 V381 A391 N392 A395	S375-K377 PolarHBondContact O-N 3.23Å; S375-K377 VanDerWaalsContact O-N 3.12Å; K377-V379 VanDerWaalsContact C-N 3.32Å; K377-V379 PolarHBondContact O-N 2.85Å; K377-L380 PolarHBondContact O-N 3.16Å; K377-V381 WeakPolarHBondContact O-CG2 3.44Å; K377-V381 PolarHBondContact O-N 3.44Å; K377-A391 HydrophobicContact CG-CB 4.4Å; K377-N392 WeakPolarHBondContact CD-OD1 3.42Å; K377-N392 WeakPolarHBondContact CE-OD1 3.49Å; K377-N392 PolarHBondContact NZ-OD1 2.99Å; K377-A395 HydrophobicContact CB-CB 4.41Å
378	D	97.5	Very high	95.3	Very high	62 Å²	62	67.4 Å²	67.4	33%	0.332	37%	0.369	S	S	.	.	H	α-helix	trans	-67	-37.8	-176.7	-58.4	-32.9	0	0	0	110.1	S375 L380 V381 E382	S375-D378 WeakPolarHBondContact CB-OD2 3.48Å; S375-D378 PolarHBondContact O-N 3.08Å; S375-D378 PolarHBondContact OG-N 2.57Å; S375-D378 PolarHBondContact OG-OD2 2.74Å; D378-L380 PolarHBondContact O-N 3.4Å; D378-V381 PolarHBondContact O-N 3.43Å; D378-E382 WeakPolarHBondContact O-CB 3.15Å; D378-E382 VanDerWaalsContact O-CG 3.3Å; D378-E382 WeakPolarHBondContact O-CG 3.37Å; D378-E382 PolarHBondContact O-N 3.4Å
379	V	97.7	Very high	95.5	Very high	17 Å²	17	70.5 Å²	70.5	10%	0.103	39%	0.394	C	S	.	.	H	α-helix	trans	-56.7	-50.1	171.6	174	0	0	0	0	110.9	F310 L340 W374 S375 K377 V381 K383 Y384	F310-V379 HydrophobicContact CZ-CG1 4.49Å; L340-V379 HydrophobicContact CD1-CG2 4.36Å; W374-V379 HydrophobicContact CB-CG2 4.01Å; W374-V379 HydrophobicContact CD2-CB 4.5Å; W374-V379 HydrophobicContact CD2-CG2 3.53Å; W374-V379 HydrophobicContact CE3-CG2 4.07Å; W374-V379 HydrophobicContact CG-CG2 3.47Å; W374-V379 VanDerWaalsContact CG-CG2 3.47Å; S375-V379 WeakPolarHBondContact O-CG2 3.5Å; S375-V379 PolarHBondContact O-N 3.04Å; K377-V379 VanDerWaalsContact C-N 3.32Å; K377-V379 PolarHBondContact O-N 2.85Å; V379-V381 VanDerWaalsContact C-N 3.34Å; V379-V381 PolarHBondContact O-N 3.15Å; V379-K383 HydrophobicContact CG1-CB 4.45Å; V379-K383 VanDerWaalsContact O-CB 3.25Å; V379-K383 WeakPolarHBondContact O-CB 3.36Å; V379-K383 PolarHBondContact O-N 3.46Å; V379-Y384 HydrophobicContact CG1-CD2 4.1Å; V379-Y384 HydrophobicContact CG1-CE2 3.74Å; V379-Y384 PolarHBondContact O-N 3.42Å
380	L	98.3	Very high	96	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-61.3	-39.9	-179.8	-69.3	165.9	0	0	0	112.4	F310 T314 L376 K377 D378 Y384 H385 W386 A391 F394	F310-L380 HydrophobicContact CE2-CD2 4.1Å; T314-L380 HydrophobicContact CG2-CD2 4.14Å; L376-L380 HydrophobicContact CD1-CD1 4.27Å; L376-L380 HydrophobicContact CD1-CG 4.45Å; L376-L380 HydrophobicContact CG-CD1 4.2Å; L376-L380 WeakPolarHBondContact O-CD1 3.39Å; L376-L380 VanDerWaalsContact O-CG 3.23Å; L376-L380 WeakPolarHBondContact O-CG 3.34Å; L376-L380 PolarHBondContact O-N 3.42Å; L376-L380 VanDerWaalsContact O-N 3.11Å; K377-L380 PolarHBondContact O-N 3.16Å; D378-L380 PolarHBondContact O-N 3.4Å; L380-Y384 CarbonylContact O-C 3.46Å; L380-Y384 WeakPolarHBondContact O-CB 3.48Å; L380-Y384 PolarHBondContact O-N 2.95Å; L380-H385 PolarHBondContact O-N 3.12Å; L380-W386 HydrophobicContact CB-CB 4.49Å; L380-W386 HydrophobicContact CB-CD2 4.5Å; L380-W386 HydrophobicContact CB-CG 4.49Å; L380-W386 HydrophobicContact CD2-CD2 4.13Å; L380-W386 HydrophobicContact CD2-CE3 4.22Å; L380-W386 HydrophobicContact CD2-CH2 4.18Å; L380-W386 HydrophobicContact CD2-CZ2 4.12Å; L380-W386 HydrophobicContact CD2-CZ3 4.26Å; L380-W386 WeakPolarHBondContact O-CB 3.17Å; L380-W386 PolarHBondContact O-N 3.3Å; L380-A391 HydrophobicContact CB-CB 3.75Å; L380-A391 HydrophobicContact CD1-CB 4.31Å; L380-F394 HydrophobicContact CD1-CB 4.49Å; L380-F394 HydrophobicContact CD1-CD1 3.86Å; L380-F394 HydrophobicContact CD2-CD1 4.18Å
381	V	98.1	Very high	96.6	Very high	40 Å²	40	66 Å²	66	24%	0.242	35%	0.348	C	S	.	.	H	α-helix	trans	-77.3	-47.2	-179.5	174.9	0	0	0	0	112.1	K377 D378 V379 H385 V388 A391	K377-V381 WeakPolarHBondContact O-CG2 3.44Å; K377-V381 PolarHBondContact O-N 3.44Å; D378-V381 PolarHBondContact O-N 3.43Å; V379-V381 VanDerWaalsContact C-N 3.34Å; V379-V381 PolarHBondContact O-N 3.15Å; V381-H385 VanDerWaalsContact O-CA 3.23Å; V381-H385 WeakPolarHBondContact O-CA 3.47Å; V381-H385 PolarHBondContact O-N 3.36Å; V381-V388 HydrophobicContact CG1-CG2 4.48Å; V381-V388 HydrophobicContact CG2-CG2 4.29Å; V381-A391 HydrophobicContact CG2-CB 3.58Å
382	E	97.9	Very high	97	Very high	117 Å²	117	67 Å²	67	55%	0.547	35%	0.354	S	S	.	.	H	α-helix	trans	-84.5	-42.4	-169.4	-63.7	175.3	175.7	0	0	112.3	W374 D378 H385	W374-E382 HydrophobicContact CZ2-CB 3.97Å; W374-E382 PolarHBondContact NE1-OE2 2.73Å; D378-E382 WeakPolarHBondContact O-CB 3.15Å; D378-E382 VanDerWaalsContact O-CG 3.3Å; D378-E382 WeakPolarHBondContact O-CG 3.37Å; D378-E382 PolarHBondContact O-N 3.4Å; E382-H385 PolarHBondContact O-CE1 2.95Å; E382-H385 VanDerWaalsContact O-CE1 3.27Å; E382-H385 PolarHBondContact O-ND1 3.36Å
383	K	97.5	Very high	97.2	Very high	96 Å²	96	63 Å²	63	42%	0.417	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-46.9	-179.9	-175.4	-177.8	169.5	-164.4	0	112.2	D316 W374 V379	D316-K383 IonicContact OD2-NZ 3.79Å; D316-K383 PolarHBondContact OD2-NZ 3.16Å; W374-K383 HydrophobicContact CH2-CB 3.86Å; W374-K383 HydrophobicContact CH2-CD 4.48Å; W374-K383 HydrophobicContact CH2-CG 4.47Å; W374-K383 HydrophobicContact CZ2-CB 4.03Å; V379-K383 HydrophobicContact CG1-CB 4.45Å; V379-K383 VanDerWaalsContact O-CB 3.25Å; V379-K383 WeakPolarHBondContact O-CB 3.36Å; V379-K383 PolarHBondContact O-N 3.46Å
384	Y	97.6	Very high	97.4	Very high	44 Å²	44	57.9 Å²	57.9	17%	0.173	30%	0.302	C	S	.	.	S	Bend	trans	-99.2	-0.6	-173.8	-60.6	-78.9	0	0	0	113.8	F310 T314 D316 V379 L380 W386	F310-Y384 HydrophobicContact CE2-CE2 4.46Å; F310-Y384 AromaticContact CZ-CE2 3.76Å; F310-Y384 HydrophobicContact CZ-CE2 3.76Å; T314-Y384 HydrophobicContact CG2-CD1 4.11Å; T314-Y384 HydrophobicContact CG2-CD2 4.12Å; T314-Y384 HydrophobicContact CG2-CE1 4.1Å; T314-Y384 HydrophobicContact CG2-CE2 4.07Å; T314-Y384 HydrophobicContact CG2-CG 4.12Å; D316-Y384 WeakPolarHBondContact CB-OH 3.49Å; D316-Y384 WeakPolarHBondContact OD2-CE1 3.47Å; D316-Y384 PolarHBondContact OD2-OH 2.94Å; V379-Y384 HydrophobicContact CG1-CD2 4.1Å; V379-Y384 HydrophobicContact CG1-CE2 3.74Å; V379-Y384 PolarHBondContact O-N 3.42Å; L380-Y384 CarbonylContact O-C 3.46Å; L380-Y384 WeakPolarHBondContact O-CB 3.48Å; L380-Y384 PolarHBondContact O-N 2.95Å; Y384-W386 PolarHBondContact O-N 3.38Å
385	H	97.4	Very high	97.5	Very high	156 Å²	156	53.1 Å²	53.1	72%	0.722	29%	0.285	S	S	*	.			trans	58.2	29.6	175.4	-51.8	-47.7	0	0	0	114.3	L380 V381 E382	L380-H385 PolarHBondContact O-N 3.12Å; V381-H385 VanDerWaalsContact O-CA 3.23Å; V381-H385 WeakPolarHBondContact O-CA 3.47Å; V381-H385 PolarHBondContact O-N 3.36Å; E382-H385 PolarHBondContact O-CE1 2.95Å; E382-H385 VanDerWaalsContact O-CE1 3.27Å; E382-H385 PolarHBondContact O-ND1 3.36Å
386	W	97.8	Very high	97.6	Very high	38 Å²	38	55.7 Å²	55.7	14%	0.144	30%	0.295	C	S	.	.			trans	-67.8	153.3	174.3	-74.9	28	0	0	0	111.3	L160 A313 T314 L380 Y384 E390 A391 F394	L160-W386 HydrophobicContact CD1-CE3 4.21Å; L160-W386 HydrophobicContact CD1-CH2 3.89Å; L160-W386 HydrophobicContact CD1-CZ2 4.36Å; L160-W386 HydrophobicContact CD1-CZ3 3.77Å; L160-W386 HydrophobicContact CD2-CH2 3.26Å; L160-W386 HydrophobicContact CD2-CZ2 3.63Å; L160-W386 HydrophobicContact CD2-CZ3 3.99Å; L160-W386 HydrophobicContact CG-CH2 4.18Å; L160-W386 HydrophobicContact CG-CZ2 4.47Å; A313-W386 HydrophobicContact CB-CH2 3.8Å; A313-W386 HydrophobicContact CB-CZ2 3.79Å; T314-W386 HydrophobicContact CG2-CZ2 4.41Å; L380-W386 HydrophobicContact CB-CB 4.49Å; L380-W386 HydrophobicContact CB-CD2 4.5Å; L380-W386 HydrophobicContact CB-CG 4.49Å; L380-W386 HydrophobicContact CD2-CD2 4.13Å; L380-W386 HydrophobicContact CD2-CE3 4.22Å; L380-W386 HydrophobicContact CD2-CH2 4.18Å; L380-W386 HydrophobicContact CD2-CZ2 4.12Å; L380-W386 HydrophobicContact CD2-CZ3 4.26Å; L380-W386 WeakPolarHBondContact O-CB 3.17Å; L380-W386 PolarHBondContact O-N 3.3Å; Y384-W386 PolarHBondContact O-N 3.38Å; W386-E390 HydrophobicContact CE3-CB 3.87Å; W386-E390 HydrophobicContact CZ3-CB 4.49Å; W386-A391 HydrophobicContact CB-CB 4.3Å; W386-F394 HydrophobicContact CH2-CB 4.39Å; W386-F394 AromaticContact CH2-CD1 3.46Å; W386-F394 HydrophobicContact CH2-CD1 3.46Å; W386-F394 VanDerWaalsContact CH2-CD1 3.46Å; W386-F394 AromaticContact CH2-CE1 3.81Å; W386-F394 HydrophobicContact CH2-CE1 3.81Å; W386-F394 HydrophobicContact CH2-CG 4.01Å; W386-F394 HydrophobicContact CZ3-CB 3.7Å; W386-F394 AromaticContact CZ3-CD1 3.54Å; W386-F394 HydrophobicContact CZ3-CD1 3.54Å; W386-F394 HydrophobicContact CZ3-CE1 4.36Å; W386-F394 AromaticContact CZ3-CG 3.82Å; W386-F394 HydrophobicContact CZ3-CG 3.82Å
387	S	97.6	Very high	97.6	Very high	54 Å²	54	55.6 Å²	55.6	38%	0.378	29%	0.294	S	S	.	.			trans	-62.4	145	167.9	74.3	0	0	0	0	110.1	S389 E390 A391	S387-S389 PolarHBondContact O-N 2.99Å; S387-S389 VanDerWaalsContact O-N 3.09Å; S387-E390 WeakPolarHBondContact CB-OE2 3.33Å; S387-E390 PolarHBondContact N-OE2 2.88Å; S387-E390 PolarHBondContact O-N 2.89Å; S387-E390 VanDerWaalsContact O-N 3.12Å; S387-E390 WeakPolarHBondContact OG-CB 3.46Å; S387-E390 VanDerWaalsContact OG-CD 3.31Å; S387-E390 VanDerWaalsContact OG-CG 3.27Å; S387-E390 WeakPolarHBondContact OG-CG 3.41Å; S387-E390 PolarHBondContact OG-N 3.45Å; S387-E390 PolarHBondContact OG-OE2 2.86Å; S387-A391 WeakPolarHBondContact O-CB 3.49Å; S387-A391 PolarHBondContact O-N 3.31Å
388	V	97.3	Very high	97.7	Very high	78 Å²	78	52 Å²	52	47%	0.473	28%	0.279	S	S	.	.	H	α-helix	trans	-55.3	-33	178.2	176.6	0	0	0	0	111.5	V381 N392	V381-V388 HydrophobicContact CG1-CG2 4.48Å; V381-V388 HydrophobicContact CG2-CG2 4.29Å; V388-N392 VanDerWaalsContact O-CB 3.28Å; V388-N392 WeakPolarHBondContact O-CB 3.3Å; V388-N392 PolarHBondContact O-N 3.26Å; V388-N392 PolarHBondContact O-ND2 3.44Å; V388-N392 VanDerWaalsContact O-ND2 3.09Å
389	S	96.6	Very high	97.8	Very high	95 Å²	95	53 Å²	53	66%	0.664	28%	0.284	S	S	*	.	H	α-helix	trans	-66.9	-49.5	177.9	-171.5	0	0	0	0	112.2	S387 N392 G393	S387-S389 PolarHBondContact O-N 2.99Å; S387-S389 VanDerWaalsContact O-N 3.09Å; S389-N392 PolarHBondContact O-N 2.91Å; S389-G393 PolarHBondContact O-N 3.5Å
390	E	96.1	Very high	97.8	Very high	93 Å²	93	54.8 Å²	54.8	44%	0.435	30%	0.296	S	S	.	.	H	α-helix	trans	-65.4	-43.6	178	-70.9	165.2	132.4	0	0	111.5	L160 W386 S387 N392 G393 F394	L160-E390 HydrophobicContact CD1-CB 4.39Å; L160-E390 HydrophobicContact CD1-CG 4.38Å; W386-E390 HydrophobicContact CE3-CB 3.87Å; W386-E390 HydrophobicContact CZ3-CB 4.49Å; S387-E390 WeakPolarHBondContact CB-OE2 3.33Å; S387-E390 PolarHBondContact N-OE2 2.88Å; S387-E390 PolarHBondContact O-N 2.89Å; S387-E390 VanDerWaalsContact O-N 3.12Å; S387-E390 WeakPolarHBondContact OG-CB 3.46Å; S387-E390 VanDerWaalsContact OG-CD 3.31Å; S387-E390 VanDerWaalsContact OG-CG 3.27Å; S387-E390 WeakPolarHBondContact OG-CG 3.41Å; S387-E390 PolarHBondContact OG-N 3.45Å; S387-E390 PolarHBondContact OG-OE2 2.86Å; E390-N392 PolarHBondContact O-N 3.45Å; E390-G393 PolarHBondContact O-N 2.87Å; E390-F394 WeakPolarHBondContact O-CB 3.37Å; E390-F394 PolarHBondContact O-N 3.37Å
391	A	98	Very high	97.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.2	-44.8	177.2	0	0	0	0	0	111.6	K377 L380 V381 W386 S387 A395	K377-A391 HydrophobicContact CG-CB 4.4Å; L380-A391 HydrophobicContact CB-CB 3.75Å; L380-A391 HydrophobicContact CD1-CB 4.31Å; V381-A391 HydrophobicContact CG2-CB 3.58Å; W386-A391 HydrophobicContact CB-CB 4.3Å; S387-A391 WeakPolarHBondContact O-CB 3.49Å; S387-A391 PolarHBondContact O-N 3.31Å; A391-A395 WeakPolarHBondContact O-CB 3.48Å; A391-A395 PolarHBondContact O-N 2.96Å
392	N	97.4	Very high	97.8	Very high	71 Å²	71	53 Å²	53	38%	0.38	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-49.1	175.2	-76.6	-27.1	0	0	0	111.5	K377 V388 S389 E390 F394 A395 D396	K377-N392 WeakPolarHBondContact CD-OD1 3.42Å; K377-N392 WeakPolarHBondContact CE-OD1 3.49Å; K377-N392 PolarHBondContact NZ-OD1 2.99Å; V388-N392 VanDerWaalsContact O-CB 3.28Å; V388-N392 WeakPolarHBondContact O-CB 3.3Å; V388-N392 PolarHBondContact O-N 3.26Å; V388-N392 PolarHBondContact O-ND2 3.44Å; V388-N392 VanDerWaalsContact O-ND2 3.09Å; S389-N392 PolarHBondContact O-N 2.91Å; E390-N392 PolarHBondContact O-N 3.45Å; N392-F394 VanDerWaalsContact C-N 3.32Å; N392-F394 PolarHBondContact O-N 2.87Å; N392-A395 PolarHBondContact O-N 3.47Å; N392-D396 WeakPolarHBondContact O-CB 3.27Å; N392-D396 PolarHBondContact O-N 3.26Å
393	G	97.2	Very high	97.9	Very high	26 Å²	26	50.9 Å²	50.9	27%	0.268	28%	0.275	S	S	.	.	H	α-helix	trans	-63.9	-36.8	-177.3	0	0	0	0	0	113.1	S389 E390 F397 W420	S389-G393 PolarHBondContact O-N 3.5Å; E390-G393 PolarHBondContact O-N 2.87Å; G393-F397 PolarHBondContact O-N 3.5Å; G393-W420 VanDerWaalsContact C-CD1 3.41Å; G393-W420 VanDerWaalsContact O-CD1 3.25Å
394	F	98.1	Very high	97.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-76.2	-41.3	177.7	-170.2	-132.7	0	0	0	112.4	A309 A313 L380 W386 E390 N392 D396 F397 L398 W420	A309-F394 HydrophobicContact CB-CE2 4.34Å; A309-F394 HydrophobicContact CB-CZ 4.25Å; A313-F394 HydrophobicContact CB-CE1 3.92Å; A313-F394 HydrophobicContact CB-CZ 3.86Å; L380-F394 HydrophobicContact CD1-CB 4.49Å; L380-F394 HydrophobicContact CD1-CD1 3.86Å; L380-F394 HydrophobicContact CD2-CD1 4.18Å; W386-F394 HydrophobicContact CH2-CB 4.39Å; W386-F394 AromaticContact CH2-CD1 3.46Å; W386-F394 HydrophobicContact CH2-CD1 3.46Å; W386-F394 VanDerWaalsContact CH2-CD1 3.46Å; W386-F394 AromaticContact CH2-CE1 3.81Å; W386-F394 HydrophobicContact CH2-CE1 3.81Å; W386-F394 HydrophobicContact CH2-CG 4.01Å; W386-F394 HydrophobicContact CZ3-CB 3.7Å; W386-F394 AromaticContact CZ3-CD1 3.54Å; W386-F394 HydrophobicContact CZ3-CD1 3.54Å; W386-F394 HydrophobicContact CZ3-CE1 4.36Å; W386-F394 AromaticContact CZ3-CG 3.82Å; W386-F394 HydrophobicContact CZ3-CG 3.82Å; E390-F394 WeakPolarHBondContact O-CB 3.37Å; E390-F394 PolarHBondContact O-N 3.37Å; N392-F394 VanDerWaalsContact C-N 3.32Å; N392-F394 PolarHBondContact O-N 2.87Å; F394-D396 PolarHBondContact O-N 3.48Å; F394-F397 HydrophobicContact CD2-CD1 4.36Å; F394-F397 HydrophobicContact CE2-CD1 4.41Å; F394-F397 WeakPolarHBondContact O-CB 3.45Å; F394-F397 PolarHBondContact O-N 3.25Å; F394-L398 HydrophobicContact CD1-CD1 4.04Å; F394-L398 HydrophobicContact CD2-CD1 4.38Å; F394-L398 HydrophobicContact CD2-CG 4.23Å; F394-L398 HydrophobicContact CE1-CD1 3.59Å; F394-L398 HydrophobicContact CE1-CG 4.44Å; F394-L398 HydrophobicContact CE2-CD1 3.99Å; F394-L398 HydrophobicContact CE2-CD2 4.11Å; F394-L398 HydrophobicContact CE2-CG 4.01Å; F394-L398 HydrophobicContact CG-CD1 4.43Å; F394-L398 HydrophobicContact CZ-CD1 3.58Å; F394-L398 HydrophobicContact CZ-CD2 4.32Å; F394-L398 HydrophobicContact CZ-CG 4.13Å; F394-L398 WeakPolarHBondContact O-CG 3.21Å; F394-L398 PolarHBondContact O-N 3.27Å; F394-W420 HydrophobicContact CD2-CD2 4.24Å; F394-W420 AromaticContact CD2-CE2 3.52Å; F394-W420 AromaticContact CD2-CH2 3.72Å; F394-W420 HydrophobicContact CD2-CH2 3.72Å; F394-W420 AromaticContact CD2-CZ2 3.25Å; F394-W420 HydrophobicContact CD2-CZ2 3.25Å; F394-W420 HydrophobicContact CD2-CZ3 4.36Å; F394-W420 AromaticContact CD2-NE1 3.91Å; F394-W420 AromaticContact CE2-CH2 3.59Å; F394-W420 HydrophobicContact CE2-CH2 3.59Å; F394-W420 AromaticContact CE2-CZ2 3.58Å; F394-W420 HydrophobicContact CE2-CZ2 3.58Å; F394-W420 HydrophobicContact CE2-CZ3 4.28Å; F394-W420 HydrophobicContact CG-CZ2 4.24Å
395	A	98.4	Very high	97.9	Very high	6 Å²	6	46.5 Å²	46.5	5%	0.05	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-42.1	174	0	0	0	0	0	111.8	L376 K377 A391 N392 F397 L398 L399	L376-A395 HydrophobicContact CD2-CB 4.01Å; L376-A395 HydrophobicContact CG-CB 4.12Å; K377-A395 HydrophobicContact CB-CB 4.41Å; A391-A395 WeakPolarHBondContact O-CB 3.48Å; A391-A395 PolarHBondContact O-N 2.96Å; N392-A395 PolarHBondContact O-N 3.47Å; A395-F397 PolarHBondContact O-N 3.35Å; A395-L398 PolarHBondContact O-N 2.91Å; A395-L399 HydrophobicContact CB-CD1 4.5Å; A395-L399 WeakPolarHBondContact O-CB 3.45Å; A395-L399 WeakPolarHBondContact O-CG 3.37Å; A395-L399 PolarHBondContact O-N 3.39Å
396	D	98.1	Very high	97.9	Very high	97 Å²	97	40.2 Å²	40.2	52%	0.519	23%	0.23	S	C	.	.	H	α-helix	trans	-58.2	-35.7	175.3	-173.6	61.4	0	0	0	112.2	N392 F394 P400 H418	N392-D396 WeakPolarHBondContact O-CB 3.27Å; N392-D396 PolarHBondContact O-N 3.26Å; F394-D396 PolarHBondContact O-N 3.48Å; D396-P400 WeakPolarHBondContact O-CD 3.49Å; D396-P400 WeakPolarHBondContact O-CG 3.07Å; D396-H418 IonicContact OD2-CE1 2.76Å; D396-H418 PolarHBondContact OD2-CE1 2.99Å; D396-H418 VanDerWaalsContact OD2-CE1 3.32Å; D396-H418 IonicContact OD2-NE2 3.09Å; D396-H418 PolarHBondContact OD2-NE2 2.89Å
397	F	98.5	Very high	97.9	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.013	26%	0.26	C	S	.	.	H	α-helix	trans	-73	-44.4	174.2	173.8	-112.5	0	0	0	113.6	I167 L171 G393 F394 A395 M401 C415 H418 W420 L421	I167-F397 HydrophobicContact CG2-CE1 3.91Å; I167-F397 HydrophobicContact CG2-CZ 3.75Å; L171-F397 HydrophobicContact CD1-CE2 4.39Å; L171-F397 HydrophobicContact CD1-CZ 3.97Å; G393-F397 PolarHBondContact O-N 3.5Å; F394-F397 HydrophobicContact CD2-CD1 4.36Å; F394-F397 HydrophobicContact CE2-CD1 4.41Å; F394-F397 WeakPolarHBondContact O-CB 3.45Å; F394-F397 PolarHBondContact O-N 3.25Å; A395-F397 PolarHBondContact O-N 3.35Å; F397-M401 HydrophobicContact CD1-SD 4.35Å; F397-M401 HydrophobicContact CE1-SD 3.79Å; F397-M401 HydrophobicContact CE2-SD 4.09Å; F397-M401 HydrophobicContact CZ-SD 3.65Å; F397-C415 HydrophobicContact CE2-CB 4.22Å; F397-H418 HydrophobicContact CD2-CB 3.85Å; F397-H418 AromaticContact CD2-CG 3.7Å; F397-H418 AromaticContact CD2-ND1 3.63Å; F397-H418 HydrophobicContact CE2-CB 4.24Å; F397-W420 HydrophobicContact CB-CB 3.83Å; F397-W420 HydrophobicContact CB-CD2 4.17Å; F397-W420 HydrophobicContact CB-CE3 4.26Å; F397-W420 HydrophobicContact CB-CG 3.98Å; F397-W420 HydrophobicContact CD1-CD2 4.04Å; F397-W420 AromaticContact CD1-CE3 3.4Å; F397-W420 HydrophobicContact CD1-CE3 3.4Å; F397-W420 VanDerWaalsContact CD1-CE3 3.4Å; F397-W420 AromaticContact CD1-CZ3 3.68Å; F397-W420 HydrophobicContact CD1-CZ3 3.68Å; F397-W420 HydrophobicContact CD2-CB 4.44Å; F397-W420 HydrophobicContact CD2-CE3 4.15Å; F397-W420 AromaticContact CE1-CE3 3.67Å; F397-W420 HydrophobicContact CE1-CE3 3.67Å; F397-W420 AromaticContact CE1-CZ3 3.6Å; F397-W420 HydrophobicContact CE1-CZ3 3.6Å; F397-W420 HydrophobicContact CE2-CE3 4.36Å; F397-W420 HydrophobicContact CG-CB 4.2Å; F397-W420 HydrophobicContact CG-CD2 4.08Å; F397-W420 AromaticContact CG-CE3 3.66Å; F397-W420 HydrophobicContact CG-CE3 3.66Å; F397-W420 HydrophobicContact CG-CG 4.31Å; F397-W420 HydrophobicContact CG-CZ3 4.4Å; F397-W420 HydrophobicContact CZ-CE3 4.14Å; F397-W420 HydrophobicContact CZ-CZ3 4.25Å; F397-L421 HydrophobicContact CE2-CD1 3.9Å; F397-L421 HydrophobicContact CE2-CD2 4.29Å; F397-L421 HydrophobicContact CE2-CG 3.88Å; F397-L421 HydrophobicContact CZ-CD1 4.16Å; F397-L421 HydrophobicContact CZ-CD2 4.04Å; F397-L421 HydrophobicContact CZ-CG 4.13Å
398	L	98.7	Very high	97.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-78.2	-34.4	-174.6	-66.8	-173.7	0	0	0	113.7	A306 A309 F310 L376 F394 A395 M401 L402	A306-L398 HydrophobicContact CB-CD2 4.05Å; A309-L398 HydrophobicContact CB-CD2 3.84Å; F310-L398 HydrophobicContact CB-CD1 4.25Å; L376-L398 HydrophobicContact CD2-CB 3.85Å; L376-L398 HydrophobicContact CD2-CD1 4.06Å; F394-L398 HydrophobicContact CD1-CD1 4.04Å; F394-L398 HydrophobicContact CD2-CD1 4.38Å; F394-L398 HydrophobicContact CD2-CG 4.23Å; F394-L398 HydrophobicContact CE1-CD1 3.59Å; F394-L398 HydrophobicContact CE1-CG 4.44Å; F394-L398 HydrophobicContact CE2-CD1 3.99Å; F394-L398 HydrophobicContact CE2-CD2 4.11Å; F394-L398 HydrophobicContact CE2-CG 4.01Å; F394-L398 HydrophobicContact CG-CD1 4.43Å; F394-L398 HydrophobicContact CZ-CD1 3.58Å; F394-L398 HydrophobicContact CZ-CD2 4.32Å; F394-L398 HydrophobicContact CZ-CG 4.13Å; F394-L398 WeakPolarHBondContact O-CG 3.21Å; F394-L398 PolarHBondContact O-N 3.27Å; A395-L398 PolarHBondContact O-N 2.91Å; L398-M401 HydrophobicContact CD2-SD 4.27Å; L398-M401 CarbonylContact O-C 3.54Å; L398-M401 WeakPolarHBondContact O-CA 3.48Å; L398-M401 WeakPolarHBondContact O-CB 3.29Å; L398-M401 PolarHBondContact O-N 2.78Å; L398-L402 HydrophobicContact CB-CD1 4.4Å; L398-L402 WeakPolarHBondContact O-CG 3.37Å; L398-L402 PolarHBondContact O-N 2.66Å
399	L	98.6	Very high	97.9	Very high	82 Å²	82	43.3 Å²	43.3	43%	0.429	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-41.9	-174.9	-73.5	169.7	0	0	0	113.5	L341 L376 A395 M401 L402 H403	L341-L399 HydrophobicContact CD2-CD2 3.7Å; L376-L399 HydrophobicContact CD2-CD2 4.49Å; L376-L399 HydrophobicContact CD2-CG 4.45Å; A395-L399 HydrophobicContact CB-CD1 4.5Å; A395-L399 WeakPolarHBondContact O-CB 3.45Å; A395-L399 WeakPolarHBondContact O-CG 3.37Å; A395-L399 PolarHBondContact O-N 3.39Å; L399-M401 VanDerWaalsContact C-N 3.26Å; L399-M401 PolarHBondContact O-N 3.29Å; L399-L402 CarbonylContact O-C 3.55Å; L399-L402 PolarHBondContact O-N 3.47Å; L399-L402 VanDerWaalsContact O-N 3.16Å; L399-H403 PolarHBondContact O-N 2.54Å
400	P	98.6	Very high	98	Very high	55 Å²	55	39.3 Å²	39.3	36%	0.357	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-31.3	171.8	-25.3	35.4	0	0	0	114	D396 L402 A410	D396-P400 WeakPolarHBondContact O-CD 3.49Å; D396-P400 WeakPolarHBondContact O-CG 3.07Å; P400-L402 VanDerWaalsContact C-N 3.35Å; P400-A410 HydrophobicContact CB-CB 3.82Å; P400-A410 PolarHBondContact O-N 2.81Å
401	M	98.8	Very high	98.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-76.9	-22.5	176.3	-59.3	174.3	68.9	0	0	112.5	L171 I302 T305 A306 F397 L398 L399 R409 C415	L171-M401 HydrophobicContact CD2-CE 4.26Å; I302-M401 HydrophobicContact CG2-CB 3.71Å; I302-M401 HydrophobicContact CG2-CE 3.93Å; I302-M401 HydrophobicContact CG2-CG 3.79Å; I302-M401 WeakPolarHBondContact O-CE 3.45Å; T305-M401 HydrophobicContact CG2-CE 3.78Å; A306-M401 HydrophobicContact CB-CB 3.7Å; A306-M401 HydrophobicContact CB-CE 4.07Å; A306-M401 HydrophobicContact CB-SD 4.37Å; F397-M401 HydrophobicContact CD1-SD 4.35Å; F397-M401 HydrophobicContact CE1-SD 3.79Å; F397-M401 HydrophobicContact CE2-SD 4.09Å; F397-M401 HydrophobicContact CZ-SD 3.65Å; L398-M401 HydrophobicContact CD2-SD 4.27Å; L398-M401 CarbonylContact O-C 3.54Å; L398-M401 WeakPolarHBondContact O-CA 3.48Å; L398-M401 WeakPolarHBondContact O-CB 3.29Å; L398-M401 PolarHBondContact O-N 2.78Å; L399-M401 VanDerWaalsContact C-N 3.26Å; L399-M401 PolarHBondContact O-N 3.29Å; M401-R409 WeakPolarHBondContact O-CD 3.28Å; M401-R409 VanDerWaalsContact O-CG 3.25Å; M401-R409 WeakPolarHBondContact O-CG 3.5Å; M401-R409 PolarHBondContact O-NE 2.98Å; M401-C415 VanDerWaalsContact CG-SG 3.58Å
402	L	98.8	Very high	98.2	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	16.2	177.8	-65.9	171.2	0	0	0	112.8	W303 A306 L318 L341 L398 L399 P400 Y404	W303-L402 HydrophobicContact CD2-CD2 3.88Å; W303-L402 HydrophobicContact CE3-CD2 3.96Å; W303-L402 HydrophobicContact CG-CD2 4.42Å; W303-L402 HydrophobicContact CH2-CD2 4.32Å; W303-L402 HydrophobicContact CZ2-CD2 4.24Å; W303-L402 HydrophobicContact CZ3-CB 4.34Å; W303-L402 HydrophobicContact CZ3-CD2 4.19Å; W303-L402 WeakPolarHBondContact CZ3-O 3.35Å; A306-L402 HydrophobicContact CB-CD2 3.76Å; A306-L402 HydrophobicContact CB-CG 3.86Å; L318-L402 HydrophobicContact CD2-CD1 3.91Å; L318-L402 HydrophobicContact CD2-CD2 4.2Å; L341-L402 HydrophobicContact CD1-CB 3.97Å; L341-L402 HydrophobicContact CD2-CB 4.36Å; L341-L402 HydrophobicContact CD2-CD1 4.39Å; L398-L402 HydrophobicContact CB-CD1 4.4Å; L398-L402 WeakPolarHBondContact O-CG 3.37Å; L398-L402 PolarHBondContact O-N 2.66Å; L399-L402 CarbonylContact O-C 3.55Å; L399-L402 PolarHBondContact O-N 3.47Å; L399-L402 VanDerWaalsContact O-N 3.16Å; P400-L402 VanDerWaalsContact C-N 3.35Å; L402-Y404 PolarHBondContact O-N 3.42Å
403	H	98.5	Very high	98.2	Very high	72 Å²	72	36.7 Å²	36.7	33%	0.333	22%	0.218	S	C	.	.			trans	-62.4	134.3	179.4	-167.4	-76	0	0	0	111.3	L399 D405 R409	L399-H403 PolarHBondContact O-N 2.54Å; H403-D405 PolarHBondContact ND1-N 3.08Å; H403-D405 PolarHBondContact ND1-O 3.19Å; H403-D405 PolarHBondContact O-N 2.98Å; H403-R409 HydrophobicContact CB-CB 4.11Å; H403-R409 HydrophobicContact CB-CG 4.4Å; H403-R409 PolarHBondContact O-NE 3Å; H403-R409 PolarHBondContact O-NH2 3.42Å
404	Y	97.7	Very high	98.3	Very high	22 Å²	22	41 Å²	41	9%	0.086	23%	0.232	C	C	.	.	S	Bend	trans	-61	-45.1	-176	-71.3	-51.4	0	0	0	114.9	L288 I337 L341 G342 V344 P345 L402 P406	L288-Y404 HydrophobicContact CD2-CD1 3.38Å; L288-Y404 HydrophobicContact CD2-CE1 3.96Å; L288-Y404 HydrophobicContact CD2-CG 4.25Å; I337-Y404 HydrophobicContact CG2-CE1 3.52Å; L341-Y404 HydrophobicContact CB-CE1 4.35Å; L341-Y404 HydrophobicContact CB-CE2 4.25Å; L341-Y404 VanDerWaalsContact CB-OH 3.31Å; L341-Y404 WeakPolarHBondContact CB-OH 3.44Å; L341-Y404 HydrophobicContact CD1-CE1 4.12Å; G342-Y404 PolarHBondContact O-OH 3.1Å; V344-Y404 HydrophobicContact CG2-CE1 4.02Å; P345-Y404 HydrophobicContact CG-CD2 4.14Å; L402-Y404 PolarHBondContact O-N 3.42Å; Y404-P406 VanDerWaalsContact O-CD 3.3Å; Y404-P406 WeakPolarHBondContact O-CD 3.4Å
405	D	97.2	Very high	98.3	Very high	26 Å²	26	41.3 Å²	41.3	14%	0.139	23%	0.233	C	C	.	.	S	Bend	trans	-80.4	113.2	176.9	-175.8	-12.5	0	0	0	109	V348 H403 A407 K408 R409	V348-D405 HydrophobicContact CG2-CB 4.06Å; H403-D405 PolarHBondContact ND1-N 3.08Å; H403-D405 PolarHBondContact ND1-O 3.19Å; H403-D405 PolarHBondContact O-N 2.98Å; D405-A407 PolarHBondContact O-N 2.89Å; D405-A407 VanDerWaalsContact O-N 3.16Å; D405-A407 WeakPolarHBondContact OD1-CB 3.4Å; D405-A407 PolarHBondContact OD1-N 2.83Å; D405-K408 HydrophobicContact CB-CB 4.24Å; D405-K408 HydrophobicContact CB-CD 4.17Å; D405-K408 HydrophobicContact CB-CG 4.24Å; D405-K408 PolarHBondContact O-N 2.86Å; D405-K408 WeakPolarHBondContact OD2-CE 3.46Å; D405-K408 IonicContact OD2-NZ 3.33Å; D405-R409 PolarHBondContact O-N 3.33Å; D405-R409 VanDerWaalsContact O-N 3.1Å
406	P	97.7	Very high	98.3	Very high	24 Å²	24	42.3 Å²	42.3	16%	0.156	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.3	-179.7	-25.5	36.7	0	0	0	112.8	E289 P299 Y404 K408 R409	E289-P406 HydrophobicContact CB-CG 3.94Å; E289-P406 HydrophobicContact CG-CG 3.91Å; P299-P406 HydrophobicContact CB-CB 3.99Å; P299-P406 HydrophobicContact CG-CB 4.07Å; P299-P406 VanDerWaalsContact CG-O 3.26Å; P299-P406 WeakPolarHBondContact CG-O 3.26Å; Y404-P406 VanDerWaalsContact O-CD 3.3Å; Y404-P406 WeakPolarHBondContact O-CD 3.4Å; P406-K408 PolarHBondContact O-N 2.92Å; P406-R409 PolarHBondContact O-N 2.87Å
407	A	97.2	Very high	98.3	Very high	92 Å²	92	43.4 Å²	43.4	76%	0.76	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-16.8	178.7	0	0	0	0	0	113.6	D405	D405-A407 PolarHBondContact O-N 2.89Å; D405-A407 VanDerWaalsContact O-N 3.16Å; D405-A407 WeakPolarHBondContact OD1-CB 3.4Å; D405-A407 PolarHBondContact OD1-N 2.83Å
408	K	98	Very high	98.2	Very high	138 Å²	138	44.8 Å²	44.8	60%	0.6	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-7.6	178	-62.3	178.8	-173.3	174.8	0	113.1	D405 P406	D405-K408 HydrophobicContact CB-CB 4.24Å; D405-K408 HydrophobicContact CB-CD 4.17Å; D405-K408 HydrophobicContact CB-CG 4.24Å; D405-K408 PolarHBondContact O-N 2.86Å; D405-K408 WeakPolarHBondContact OD2-CE 3.46Å; D405-K408 IonicContact OD2-NZ 3.33Å; P406-K408 PolarHBondContact O-N 2.92Å
409	R	98.6	Very high	98.1	Very high	6 Å²	6	48.8 Å²	48.8	2%	0.023	27%	0.272	C	S	.	.	S	Bend	trans	-65.1	139.3	175.9	-169.8	178.3	-63.7	153.1	7.9	109.5	E289 P299 I302 M401 H403 D405 P406 T411	E289-R409 IonicContact OE1-CZ 3.88Å; E289-R409 IonicContact OE1-NH1 3.53Å; E289-R409 PolarHBondContact OE1-NH1 3.03Å; E289-R409 IonicContact OE1-NH2 3.49Å; E289-R409 PolarHBondContact OE1-NH2 3.42Å; E289-R409 IonicContact OE2-CZ 3.8Å; E289-R409 IonicContact OE2-NH1 3.89Å; E289-R409 PolarHBondContact OE2-NH1 2.93Å; E289-R409 IonicContact OE2-NH2 2.77Å; E289-R409 PolarHBondContact OE2-NH2 2.76Å; P299-R409 VanDerWaalsContact C-NH1 3.32Å; P299-R409 HydrophobicContact CB-CB 4.22Å; P299-R409 VanDerWaalsContact O-CD 3.3Å; P299-R409 WeakPolarHBondContact O-CD 3.48Å; P299-R409 PolarHBondContact O-NH1 2.72Å; I302-R409 HydrophobicContact CG2-CG 4.33Å; M401-R409 WeakPolarHBondContact O-CD 3.28Å; M401-R409 VanDerWaalsContact O-CG 3.25Å; M401-R409 WeakPolarHBondContact O-CG 3.5Å; M401-R409 PolarHBondContact O-NE 2.98Å; H403-R409 HydrophobicContact CB-CB 4.11Å; H403-R409 HydrophobicContact CB-CG 4.4Å; H403-R409 PolarHBondContact O-NE 3Å; H403-R409 PolarHBondContact O-NH2 3.42Å; D405-R409 PolarHBondContact O-N 3.33Å; D405-R409 VanDerWaalsContact O-N 3.1Å; P406-R409 PolarHBondContact O-N 2.87Å; R409-T411 PolarHBondContact O-N 3.05Å
410	A	98.7	Very high	98	Very high	11 Å²	11	45.6 Å²	45.6	9%	0.091	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-55.4	138.9	179.8	0	0	0	0	0	110.5	I302 P400 Q414	I302-A410 WeakPolarHBondContact CG2-O 3.37Å; P400-A410 HydrophobicContact CB-CB 3.82Å; P400-A410 PolarHBondContact O-N 2.81Å; A410-Q414 HydrophobicContact CB-CB 4.45Å
411	T	98.8	Very high	97.8	Very high	68 Å²	68	43.7 Å²	43.7	42%	0.417	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-81.7	164.3	171.3	68	0	0	0	0	110.5	R409 A413 Q414 C415	R409-T411 PolarHBondContact O-N 3.05Å; T411-A413 VanDerWaalsContact C-N 3.29Å; T411-A413 PolarHBondContact O-N 3.4Å; T411-Q414 PolarHBondContact O-N 3.28Å; T411-Q414 VanDerWaalsContact O-N 3.1Å; T411-Q414 WeakPolarHBondContact OG1-CG 3.19Å; T411-Q414 PolarHBondContact OG1-N 3.19Å; T411-C415 PolarHBondContact O-N 2.91Å; T411-C415 PolarHBondContact O-SG 3.43Å
412	A	98.8	Very high	97.2	Very high	1 Å²	1	51 Å²	51	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-54	-46.2	173.7	0	0	0	0	0	112	L171 L174 D175 I302 Q414 C415 L416	L171-A412 HydrophobicContact CD2-CB 4.31Å; L174-A412 HydrophobicContact CB-CB 4.13Å; D175-A412 HydrophobicContact CB-CB 3.76Å; I302-A412 HydrophobicContact CD1-CB 3.92Å; A412-Q414 PolarHBondContact O-N 2.96Å; A412-C415 WeakPolarHBondContact O-CB 3.41Å; A412-C415 PolarHBondContact O-N 3.22Å; A412-L416 WeakPolarHBondContact O-CG 3.36Å; A412-L416 PolarHBondContact O-N 2.65Å
413	A	98.4	Very high	95.9	Very high	39 Å²	39	54.2 Å²	54.2	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-57.3	-43.2	174.7	0	0	0	0	0	113.3	T411 L416	T411-A413 VanDerWaalsContact C-N 3.29Å; T411-A413 PolarHBondContact O-N 3.4Å; A413-L416 PolarHBondContact O-N 3.41Å
414	Q	98.4	Very high	93.8	Very high	118 Å²	118	57.1 Å²	57.1	55%	0.551	31%	0.309	S	S	*	.	H	α-helix	trans	-66.7	-38.7	177.2	-72.7	170	-30.4	0	0	111.9	A410 T411 A412 L416 E417	A410-Q414 HydrophobicContact CB-CB 4.45Å; T411-Q414 PolarHBondContact O-N 3.28Å; T411-Q414 VanDerWaalsContact O-N 3.1Å; T411-Q414 WeakPolarHBondContact OG1-CG 3.19Å; T411-Q414 PolarHBondContact OG1-N 3.19Å; A412-Q414 PolarHBondContact O-N 2.96Å; Q414-L416 VanDerWaalsContact C-N 3.34Å; Q414-L416 PolarHBondContact O-N 3.36Å; Q414-E417 PolarHBondContact O-N 3.47Å
415	C	98.6	Very high	91.7	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.034	32%	0.324	C	S	.	.	H	α-helix	trans	-64.2	-39	176.9	-61.7	0	0	0	0	111.7	L171 F397 M401 T411 A412 E417 H418 L421	L171-C415 HydrophobicContact CD1-CB 3.56Å; L171-C415 HydrophobicContact CD2-CB 3.94Å; L171-C415 HydrophobicContact CG-CB 4.36Å; F397-C415 HydrophobicContact CE2-CB 4.22Å; M401-C415 VanDerWaalsContact CG-SG 3.58Å; T411-C415 PolarHBondContact O-N 2.91Å; T411-C415 PolarHBondContact O-SG 3.43Å; A412-C415 WeakPolarHBondContact O-CB 3.41Å; A412-C415 PolarHBondContact O-N 3.22Å; C415-E417 PolarHBondContact O-N 2.98Å; C415-H418 WeakPolarHBondContact O-CB 3.29Å; C415-H418 PolarHBondContact O-N 3.17Å; C415-L421 VanDerWaalsContact O-CD1 3.31Å; C415-L421 WeakPolarHBondContact O-CD1 3.35Å
416	L	97.9	Very high	89.1	Confident	27 Å²	27	65.7 Å²	65.7	14%	0.141	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-25	178.3	-72.4	169.9	0	0	0	113.6	K168 L171 E172 D175 A412 A413 Q414 H418	K168-L416 HydrophobicContact CG-CD2 3.94Å; L171-L416 HydrophobicContact CB-CD2 3.77Å; L171-L416 HydrophobicContact CB-CG 4Å; E172-L416 HydrophobicContact CG-CD1 4.2Å; E172-L416 HydrophobicContact CG-CD2 3.87Å; D175-L416 HydrophobicContact CB-CD1 4.28Å; A412-L416 WeakPolarHBondContact O-CG 3.36Å; A412-L416 PolarHBondContact O-N 2.65Å; A413-L416 PolarHBondContact O-N 3.41Å; Q414-L416 VanDerWaalsContact C-N 3.34Å; Q414-L416 PolarHBondContact O-N 3.36Å; L416-H418 VanDerWaalsContact C-N 3.32Å
417	E	97.2	Very high	86	Confident	121 Å²	121	67.4 Å²	67.4	57%	0.565	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.5	175.6	-63.1	-55.5	144.7	0	0	113.4	Q414 C415 R422	Q414-E417 PolarHBondContact O-N 3.47Å; C415-E417 PolarHBondContact O-N 2.98Å; E417-R422 IonicContact OE2-CZ 3.32Å; E417-R422 IonicContact OE2-NH2 3.24Å; E417-R422 PolarHBondContact OE2-NH2 2.89Å
418	H	97.7	Very high	82.9	Confident	31 Å²	31	75.9 Å²	75.9	14%	0.144	40%	0.4	C	S	.	.			trans	-67.8	135.1	-173.9	-162.6	-91.8	0	0	0	112.3	D396 F397 C415 L416 W420 L421	D396-H418 IonicContact OD2-CE1 2.76Å; D396-H418 PolarHBondContact OD2-CE1 2.99Å; D396-H418 VanDerWaalsContact OD2-CE1 3.32Å; D396-H418 IonicContact OD2-NE2 3.09Å; D396-H418 PolarHBondContact OD2-NE2 2.89Å; F397-H418 HydrophobicContact CD2-CB 3.85Å; F397-H418 AromaticContact CD2-CG 3.7Å; F397-H418 AromaticContact CD2-ND1 3.63Å; F397-H418 HydrophobicContact CE2-CB 4.24Å; C415-H418 WeakPolarHBondContact O-CB 3.29Å; C415-H418 PolarHBondContact O-N 3.17Å; L416-H418 VanDerWaalsContact C-N 3.32Å; H418-W420 VanDerWaalsContact ND1-CB 3.33Å; H418-W420 WeakPolarHBondContact ND1-CB 3.35Å; H418-W420 PolarHBondContact ND1-N 2.77Å; H418-W420 PolarHBondContact O-N 2.92Å; H418-W420 VanDerWaalsContact O-N 3.15Å; H418-L421 PolarHBondContact O-N 3.38Å; H418-L421 VanDerWaalsContact O-N 3.13Å
419	P	96.1	Very high	82.1	Confident	84 Å²	84	72.8 Å²	72.8	55%	0.545	39%	0.39	S	S	.	.	H	α-helix	trans	-56.2	-33.6	-178.8	-27.3	35.2	0	0	0	114.4	L421 R422 C423	P419-L421 VanDerWaalsContact C-N 3.26Å; P419-L421 PolarHBondContact O-N 2.82Å; P419-R422 WeakPolarHBondContact O-CB 3.48Å; P419-R422 PolarHBondContact O-N 2.92Å; P419-C423 PolarHBondContact O-N 2.67Å
420	W	96.6	Very high	81.2	Confident	15 Å²	15	76.3 Å²	76.3	6%	0.057	41%	0.41	C	S	.	.	H	α-helix	trans	-56.4	-38.2	179	-173.5	83.2	0	0	0	112.6	V163 R164 G393 F394 F397 H418 R422	V163-W420 HydrophobicContact CG1-CH2 4.07Å; R164-W420 HydrophobicContact CB-CH2 4.32Å; R164-W420 HydrophobicContact CB-CZ3 4.35Å; R164-W420 WeakPolarHBondContact CD-O 3.35Å; R164-W420 HydrophobicContact CG-CD2 3.98Å; R164-W420 HydrophobicContact CG-CE3 3.84Å; R164-W420 HydrophobicContact CG-CH2 3.4Å; R164-W420 VanDerWaalsContact CG-CH2 3.4Å; R164-W420 HydrophobicContact CG-CZ2 3.55Å; R164-W420 HydrophobicContact CG-CZ3 3.57Å; G393-W420 VanDerWaalsContact C-CD1 3.41Å; G393-W420 VanDerWaalsContact O-CD1 3.25Å; F394-W420 HydrophobicContact CD2-CD2 4.24Å; F394-W420 AromaticContact CD2-CE2 3.52Å; F394-W420 AromaticContact CD2-CH2 3.72Å; F394-W420 HydrophobicContact CD2-CH2 3.72Å; F394-W420 AromaticContact CD2-CZ2 3.25Å; F394-W420 HydrophobicContact CD2-CZ2 3.25Å; F394-W420 HydrophobicContact CD2-CZ3 4.36Å; F394-W420 AromaticContact CD2-NE1 3.91Å; F394-W420 AromaticContact CE2-CH2 3.59Å; F394-W420 HydrophobicContact CE2-CH2 3.59Å; F394-W420 AromaticContact CE2-CZ2 3.58Å; F394-W420 HydrophobicContact CE2-CZ2 3.58Å; F394-W420 HydrophobicContact CE2-CZ3 4.28Å; F394-W420 HydrophobicContact CG-CZ2 4.24Å; F397-W420 HydrophobicContact CB-CB 3.83Å; F397-W420 HydrophobicContact CB-CD2 4.17Å; F397-W420 HydrophobicContact CB-CE3 4.26Å; F397-W420 HydrophobicContact CB-CG 3.98Å; F397-W420 HydrophobicContact CD1-CD2 4.04Å; F397-W420 AromaticContact CD1-CE3 3.4Å; F397-W420 HydrophobicContact CD1-CE3 3.4Å; F397-W420 VanDerWaalsContact CD1-CE3 3.4Å; F397-W420 AromaticContact CD1-CZ3 3.68Å; F397-W420 HydrophobicContact CD1-CZ3 3.68Å; F397-W420 HydrophobicContact CD2-CB 4.44Å; F397-W420 HydrophobicContact CD2-CE3 4.15Å; F397-W420 AromaticContact CE1-CE3 3.67Å; F397-W420 HydrophobicContact CE1-CE3 3.67Å; F397-W420 AromaticContact CE1-CZ3 3.6Å; F397-W420 HydrophobicContact CE1-CZ3 3.6Å; F397-W420 HydrophobicContact CE2-CE3 4.36Å; F397-W420 HydrophobicContact CG-CB 4.2Å; F397-W420 HydrophobicContact CG-CD2 4.08Å; F397-W420 AromaticContact CG-CE3 3.66Å; F397-W420 HydrophobicContact CG-CE3 3.66Å; F397-W420 HydrophobicContact CG-CG 4.31Å; F397-W420 HydrophobicContact CG-CZ3 4.4Å; F397-W420 HydrophobicContact CZ-CE3 4.14Å; F397-W420 HydrophobicContact CZ-CZ3 4.25Å; H418-W420 VanDerWaalsContact ND1-CB 3.33Å; H418-W420 WeakPolarHBondContact ND1-CB 3.35Å; H418-W420 PolarHBondContact ND1-N 2.77Å; H418-W420 PolarHBondContact O-N 2.92Å; H418-W420 VanDerWaalsContact O-N 3.15Å; W420-R422 VanDerWaalsContact C-N 3.28Å; W420-R422 PolarHBondContact O-N 3.06Å
421	L	94.9	Very high	80.3	Confident	15 Å²	15	79.9 Å²	79.9	8%	0.079	43%	0.428	C	S	.	.	H	α-helix	trans	-76	-13.7	177.3	-66	179.8	0	0	0	113.7	I167 K168 L171 F397 C415 H418 P419	I167-L421 HydrophobicContact CG2-CD2 4.4Å; K168-L421 HydrophobicContact CB-CD1 4.42Å; K168-L421 HydrophobicContact CB-CD2 4.29Å; L171-L421 HydrophobicContact CD1-CD1 3.79Å; F397-L421 HydrophobicContact CE2-CD1 3.9Å; F397-L421 HydrophobicContact CE2-CD2 4.29Å; F397-L421 HydrophobicContact CE2-CG 3.88Å; F397-L421 HydrophobicContact CZ-CD1 4.16Å; F397-L421 HydrophobicContact CZ-CD2 4.04Å; F397-L421 HydrophobicContact CZ-CG 4.13Å; C415-L421 VanDerWaalsContact O-CD1 3.31Å; C415-L421 WeakPolarHBondContact O-CD1 3.35Å; H418-L421 PolarHBondContact O-N 3.38Å; H418-L421 VanDerWaalsContact O-N 3.13Å; P419-L421 VanDerWaalsContact C-N 3.26Å; P419-L421 PolarHBondContact O-N 2.82Å
422	R	84.5	Confident	79.2	Confident	154 Å²	154	80.6 Å²	80.6	58%	0.581	43%	0.428	S	S	*	.	H	α-helix	trans	-92.4	-12.3	-179.6	-61.8	-178.9	179.4	178.6	-1	113.4	E417 P419 W420 D424	E417-R422 IonicContact OE2-CZ 3.32Å; E417-R422 IonicContact OE2-NH2 3.24Å; E417-R422 PolarHBondContact OE2-NH2 2.89Å; P419-R422 WeakPolarHBondContact O-CB 3.48Å; P419-R422 PolarHBondContact O-N 2.92Å; W420-R422 VanDerWaalsContact C-N 3.28Å; W420-R422 PolarHBondContact O-N 3.06Å; R422-D424 PolarHBondContact O-N 2.83Å
423	C	72	Confident	78	Confident	70 Å²	70	85.6 Å²	85.6	47%	0.473	45%	0.454	S	S	.	.	S	Bend	trans	-62.6	105.8	175.9	-68.1	0	0	0	0	109.8	R164 P419	R164-C423 PolarHBondContact NE-O 3.32Å; P419-C423 PolarHBondContact O-N 2.67Å
424	D	55.2	Low	76.6	Confident	133 Å²	133	88.7 Å²	88.7	71%	0.711	46%	0.463	S	S	*	.			trans	-51.6	142.4	-177.4	-80.1	-39.5	0	0	0	111.9	R422 N426	R422-D424 PolarHBondContact O-N 2.83Å; D424-N426 PolarHBondContact O-N 2.78Å
425	I	53.8	Low	75	Confident	80 Å²	80	86.6 Å²	86.6	41%	0.41	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	4.6	-179.8	-54	168	0	0	0	111.9	K258	K258-I425 HydrophobicContact CD-CD1 4.38Å
426	N	41.3	Very low	73.2	Confident	148 Å²	148	92.8 Å²	92.8	79%	0.791	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	17.9	-171.8	-63.7	-21.8	0	0	0	114.2	D424 H428	D424-N426 PolarHBondContact O-N 2.78Å; N426-H428 PolarHBondContact O-N 2.9Å
427	G	33	Very low	71.2	Confident	60 Å²	60	98.3 Å²	98.3	62%	0.619	52%	0.518	S	S	*	.			trans	-93.4	89.2	171.8	0	0	0	0	0	111.7
428	H	31.8	Very low	68.8	Low	269 Å²	269	96.3 Å²	96.3	100%	1.245	51%	0.514	S	S	*	.			trans	109	0	176.9	-59.8	-55	0	0	0	116	N426	N426-H428 PolarHBondContact O-N 2.9Å

Retrieved 428 of 428 residues in 384.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).