A0A3B3UKP7_9TELE Loading...

Aspartate aminotransferase

AlphaFold DB , UniProt , Accession A0A3B3UKP7, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 428 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.1	Very low	38.7	Very low	241 Å²	241	156 Å²	156	100%	1.187	82%	0.819	S	S	*	*				0	83.2	0	-79.4	176	163.3	0	0	107.2
2	A	36.6	Very low	38.6	Very low	91 Å²	91	154.1 Å²	154.1	75%	0.752	83%	0.826	S	S	*	*				62	96.6	82.9	0	0	0	0	0	112.4
3	L	36.5	Very low	39.1	Very low	169 Å²	169	155.1 Å²	155.1	89%	0.885	83%	0.83	S	S	*	*				-171.6	111.8	116.1	-103.8	142	0	0	0	111.7
4	L	37.9	Very low	39.2	Very low	156 Å²	156	147.9 Å²	147.9	82%	0.817	81%	0.811	S	S	*	*			trans	-68.6	153.7	161.2	-77.6	126.3	0	0	0	111.5
5	K	39.2	Very low	39.9	Very low	198 Å²	198	149.3 Å²	149.3	86%	0.861	82%	0.817	S	S	*	*			trans	-178.5	91.9	136.4	-97.9	170	-170.6	-171.8	0	107.4
6	S	40.6	Very low	40.2	Very low	92 Å²	92	149.9 Å²	149.9	64%	0.643	82%	0.817	S	S	*	*				48.4	112.6	87.9	-169.4	0	0	0	0	114.6
7	N	36.2	Very low	41	Very low	138 Å²	138	146.8 Å²	146.8	74%	0.738	81%	0.809	S	S	*	*				-174.5	129.4	109.9	-91.1	-17.4	0	0	0	114.2
8	K	37.3	Very low	41.7	Very low	192 Å²	192	145.3 Å²	145.3	84%	0.835	81%	0.807	S	S	*	*			trans	76.3	93.2	143.5	-65.2	-174.8	177	-175.5	0	121
9	V	41.3	Very low	42.3	Very low	126 Å²	126	142.6 Å²	142.6	76%	0.764	81%	0.805	S	S	*	*				-12.2	131.7	127	-177.9	0	0	0	0	115.9
10	I	39.9	Very low	43	Very low	168 Å²	168	144.2 Å²	144.2	86%	0.862	81%	0.811	S	S	*	*				-158.6	134	120.7	-87.9	152.4	0	0	0	109
11	H	40.2	Very low	43.5	Very low	145 Å²	145	140.1 Å²	140.1	67%	0.671	80%	0.801	S	S	*	*			trans	-57.9	141.9	176.8	-94.2	-86.6	0	0	0	114.5
12	C	37.5	Very low	44.3	Very low	133 Å²	133	133.2 Å²	133.2	90%	0.899	78%	0.783	S	S	*	*			trans	-147.2	104.4	134.1	-100.8	0	0	0	0	108.5	G14	C12-G14 PolarHBondContact O-N 3.45Å; C12-G14 VanDerWaalsContact O-N 3.09Å
13	L	45.5	Very low	45.4	Very low	167 Å²	167	136.9 Å²	136.9	87%	0.874	79%	0.788	S	S	*	*			trans	-70.4	94.7	165.8	-80.2	158.9	0	0	0	107.8
14	G	40.3	Very low	46.4	Very low	55 Å²	55	133.6 Å²	133.6	57%	0.567	78%	0.78	S	S	*	*			trans	-105.4	118.7	163.9	0	0	0	0	0	108.6	C12 I16	C12-G14 PolarHBondContact O-N 3.45Å; C12-G14 VanDerWaalsContact O-N 3.09Å; G14-I16 PolarHBondContact O-N 2.87Å
15	N	49	Very low	47.5	Very low	169 Å²	169	130.8 Å²	130.8	90%	0.904	77%	0.773	S	S	*	*			trans	-55.5	97.3	169.6	-80.9	-24.1	0	0	0	109.8	S17	N15-S17 PolarHBondContact O-N 3.35Å
16	I	45.9	Very low	48.9	Very low	158 Å²	158	132.2 Å²	132.2	81%	0.81	77%	0.773	S	S	*	*			trans	-92.7	92.5	165.4	-57.4	177	0	0	0	105.9	G14	G14-I16 PolarHBondContact O-N 2.87Å
17	S	53.1	Low	50.5	Low	97 Å²	97	135 Å²	135	68%	0.678	78%	0.781	S	S	*	*			trans	-52.1	130.9	159	-64.7	0	0	0	0	107.7	N15 A19	N15-S17 PolarHBondContact O-N 3.35Å; S17-A19 VanDerWaalsContact C-N 3.31Å; S17-A19 PolarHBondContact O-N 3.23Å
18	P	54.4	Low	52.7	Low	121 Å²	121	133.6 Å²	133.6	79%	0.786	78%	0.782	S	S	*	*			trans	-63.3	102.9	168.6	25.2	-27.9	0	0	0	106	L20	P18-L20 PolarHBondContact O-N 2.71Å
19	A	52.9	Low	55.3	Low	93 Å²	93	127.9 Å²	127.9	77%	0.769	77%	0.766	S	S	*	*			trans	-57.4	110.6	164.2	0	0	0	0	0	104.8	S17 G21	S17-A19 VanDerWaalsContact C-N 3.31Å; S17-A19 PolarHBondContact O-N 3.23Å; A19-G21 PolarHBondContact O-N 2.91Å
20	L	55.9	Low	57.7	Low	174 Å²	174	132.9 Å²	132.9	91%	0.911	77%	0.771	S	S	*	*			trans	-53.5	93.2	160.8	-97.5	130.2	0	0	0	105.1	P18 A22	P18-L20 PolarHBondContact O-N 2.71Å; L20-A22 VanDerWaalsContact C-N 3.31Å; L20-A22 PolarHBondContact O-N 3.08Å
21	G	53.8	Low	60.3	Low	59 Å²	59	133.6 Å²	133.6	61%	0.608	76%	0.763	S	S	*	*			trans	-55.9	107.8	166.8	0	0	0	0	0	104.2	A19 L23	A19-G21 PolarHBondContact O-N 2.91Å; G21-L23 PolarHBondContact O-N 2.95Å
22	A	56.3	Low	62.8	Low	97 Å²	97	130.8 Å²	130.8	80%	0.802	77%	0.765	S	S	*	*			trans	-56.9	98.2	171.6	0	0	0	0	0	105.4	L20 S24	L20-A22 VanDerWaalsContact C-N 3.31Å; L20-A22 PolarHBondContact O-N 3.08Å; A22-S24 PolarHBondContact O-N 2.67Å
23	L	58.8	Low	65.5	Low	167 Å²	167	127.8 Å²	127.8	87%	0.874	76%	0.757	S	S	*	*			trans	-59.6	97.7	163.7	-81.9	162.1	0	0	0	103.4	G21 S25	G21-L23 PolarHBondContact O-N 2.95Å; L23-S25 PolarHBondContact O-N 2.66Å
24	S	57.8	Low	67.8	Low	101 Å²	101	125 Å²	125	71%	0.706	75%	0.746	S	S	*	*			trans	-61.5	91.2	166.3	177.8	0	0	0	0	105	A22 R26	A22-S24 PolarHBondContact O-N 2.67Å; S24-R26 PolarHBondContact O-N 2.92Å
25	S	61.6	Low	70.4	Confident	97 Å²	97	130.8 Å²	130.8	68%	0.678	76%	0.759	S	S	*	*			trans	-63.4	92.4	163.8	59.6	0	0	0	0	104.5	L23 N27	L23-S25 PolarHBondContact O-N 2.66Å; S25-N27 PolarHBondContact O-N 2.68Å
26	R	67.9	Low	72.4	Confident	227 Å²	227	131.4 Å²	131.4	86%	0.857	76%	0.759	S	S	*	*			trans	-56.8	114.9	168.2	-76.5	-174.2	168.7	-159.6	-2.1	105.5	S24 S28	S24-R26 PolarHBondContact O-N 2.92Å; R26-S28 PolarHBondContact O-N 3.17Å
27	N	74.1	Confident	74.4	Confident	151 Å²	151	126.2 Å²	126.2	81%	0.807	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-49.1	135.5	172	-72.5	-22	0	0	0	108.1	S25 S29	S25-N27 PolarHBondContact O-N 2.68Å; N27-S29 PolarHBondContact O-N 3.26Å
28	S	83.8	Confident	75.7	Confident	109 Å²	109	127.4 Å²	127.4	76%	0.762	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-50.8	137.7	177.2	51.3	0	0	0	0	110.1	R26 W30	R26-S28 PolarHBondContact O-N 3.17Å; S28-W30 PolarHBondContact O-N 3.21Å
29	S	90.8	Very high	76.7	Confident	71 Å²	71	127.1 Å²	127.1	50%	0.497	75%	0.747	S	S	.	*	P	Polyproline II helix	trans	-61.9	131.9	178.1	175.3	0	0	0	0	110.3	N27 W31 A32	N27-S29 PolarHBondContact O-N 3.26Å; S29-W31 PolarHBondContact O-N 3.1Å; S29-W31 PolarHBondContact OG-N 3.12Å; S29-A32 WeakPolarHBondContact O-CB 3.41Å; S29-A32 PolarHBondContact O-N 2.93Å; S29-A32 VanDerWaalsContact O-N 3.15Å
30	W	92.4	Very high	77.8	Confident	231 Å²	231	126.4 Å²	126.4	88%	0.875	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.7	-24.3	170.3	-61.8	113.2	0	0	0	112.9	S28	S28-W30 PolarHBondContact O-N 3.21Å
31	W	95.3	Very high	78.7	Confident	184 Å²	184	123.1 Å²	123.1	70%	0.697	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	8.2	-171.9	-40.2	118.9	0	0	0	113.6	S29 G33 V34	S29-W31 PolarHBondContact O-N 3.1Å; S29-W31 PolarHBondContact OG-N 3.12Å; W31-G33 PolarHBondContact O-N 3.46Å; W31-G33 VanDerWaalsContact O-N 3.09Å; W31-V34 HydrophobicContact CB-CG2 4.09Å; W31-V34 HydrophobicContact CE3-CG2 4.24Å; W31-V34 PolarHBondContact O-N 2.88Å
32	A	91.9	Very high	79.9	Confident	85 Å²	85	122.7 Å²	122.7	70%	0.702	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-26.7	-176.8	0	0	0	0	0	113.5	S29	S29-A32 WeakPolarHBondContact O-CB 3.41Å; S29-A32 PolarHBondContact O-N 2.93Å; S29-A32 VanDerWaalsContact O-N 3.15Å
33	G	93.3	Very high	80.9	Confident	71 Å²	71	123.1 Å²	123.1	73%	0.732	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-1.9	177.6	0	0	0	0	0	115.5	W31 Q35	W31-G33 PolarHBondContact O-N 3.46Å; W31-G33 VanDerWaalsContact O-N 3.09Å; G33-Q35 PolarHBondContact O-N 3.16Å
34	V	94.9	Very high	82.1	Confident	107 Å²	107	116.6 Å²	116.6	65%	0.648	66%	0.664	S	S	*	*			trans	-74.1	111.2	-179.8	179.3	0	0	0	0	109	W31	W31-V34 HydrophobicContact CB-CG2 4.09Å; W31-V34 HydrophobicContact CE3-CG2 4.24Å; W31-V34 PolarHBondContact O-N 2.88Å
35	Q	95.5	Very high	83.5	Confident	178 Å²	178	112.9 Å²	112.9	83%	0.832	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-75.4	148	178.3	-64.3	-173.6	-21	0	0	111.4	G33 G37	G33-Q35 PolarHBondContact O-N 3.16Å; Q35-G37 PolarHBondContact O-N 3.45Å
36	M	90.9	Very high	84.8	Confident	182 Å²	182	109.6 Å²	109.6	90%	0.897	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-61.9	126	171	-175.5	64.8	72.3	0	0	109.6
37	G	86.3	Confident	85.9	Confident	48 Å²	48	103.8 Å²	103.8	50%	0.495	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-64.8	152.5	175.2	0	0	0	0	0	111.8	Q35	Q35-G37 PolarHBondContact O-N 3.45Å
38	P	80.8	Confident	86.7	Confident	123 Å²	123	97.9 Å²	97.9	80%	0.799	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-64.5	143.4	174.1	28.4	-34	0	0	0	110.2
39	P	74.8	Confident	87.2	Confident	114 Å²	114	94.9 Å²	94.9	74%	0.74	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-58.7	140.2	173.1	-22.5	32.6	0	0	0	111.7	P41	P39-P41 WeakPolarHBondContact O-CD 3.31Å
40	D	75.9	Confident	87.4	Confident	79 Å²	79	98.7 Å²	98.7	42%	0.422	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-64.7	122.3	172.7	-179.7	-59.3	0	0	0	109.5	I42 L43 G44	D40-I42 PolarHBondContact O-N 3.02Å; D40-I42 VanDerWaalsContact O-N 3.12Å; D40-I42 WeakPolarHBondContact OD1-CA 3.36Å; D40-I42 VanDerWaalsContact OD1-CB 3.32Å; D40-I42 WeakPolarHBondContact OD1-CB 3.32Å; D40-I42 PolarHBondContact OD1-N 3.31Å; D40-L43 HydrophobicContact CB-CB 3.98Å; D40-L43 HydrophobicContact CB-CD1 3.87Å; D40-L43 HydrophobicContact CB-CG 3.88Å; D40-L43 PolarHBondContact O-N 3.02Å; D40-L43 PolarHBondContact OD1-N 3.04Å; D40-L43 VanDerWaalsContact OD1-N 3.07Å; D40-G44 PolarHBondContact O-N 3.33Å
41	P	75.4	Confident	87.5	Confident	104 Å²	104	95.7 Å²	95.7	68%	0.675	54%	0.538	S	S	*	.	H	α-helix	trans	-60	-24.2	-175.7	-25.9	34.6	0	0	0	114.8	P39 V45	P39-P41 WeakPolarHBondContact O-CD 3.31Å; P41-V45 VanDerWaalsContact O-CG2 3.3Å; P41-V45 WeakPolarHBondContact O-CG2 3.34Å
42	I	79.9	Confident	87.6	Confident	51 Å²	51	88.3 Å²	88.3	26%	0.262	51%	0.512	S	S	.	.	H	α-helix	trans	-86.8	-41.5	178.9	-57.9	175.7	0	0	0	110.4	D40 V45 T46 G61 T401	D40-I42 PolarHBondContact O-N 3.02Å; D40-I42 VanDerWaalsContact O-N 3.12Å; D40-I42 WeakPolarHBondContact OD1-CA 3.36Å; D40-I42 VanDerWaalsContact OD1-CB 3.32Å; D40-I42 WeakPolarHBondContact OD1-CB 3.32Å; D40-I42 PolarHBondContact OD1-N 3.31Å; I42-V45 PolarHBondContact O-N 3.37Å; I42-T46 PolarHBondContact O-N 3.02Å; I42-G61 WeakPolarHBondContact CG2-O 3.41Å; I42-T401 HydrophobicContact CG1-CG2 4.18Å
43	L	76.8	Confident	87.9	Confident	105 Å²	105	90.7 Å²	90.7	55%	0.55	52%	0.518	S	S	.	.	H	α-helix	trans	-65.8	-42.1	178.9	-64.1	-180	0	0	0	111.4	D40 V45 T46 E47	D40-L43 HydrophobicContact CB-CB 3.98Å; D40-L43 HydrophobicContact CB-CD1 3.87Å; D40-L43 HydrophobicContact CB-CG 3.88Å; D40-L43 PolarHBondContact O-N 3.02Å; D40-L43 PolarHBondContact OD1-N 3.04Å; D40-L43 VanDerWaalsContact OD1-N 3.07Å; L43-V45 VanDerWaalsContact C-N 3.27Å; L43-V45 PolarHBondContact O-N 3.35Å; L43-T46 PolarHBondContact O-N 3.09Å; L43-E47 PolarHBondContact O-N 3.45Å
44	G	83.2	Confident	88.1	Confident	31 Å²	31	89.5 Å²	89.5	32%	0.32	50%	0.495	S	S	.	.	H	α-helix	trans	-57.4	-38	177.8	0	0	0	0	0	113.4	D40 E47 A48	D40-G44 PolarHBondContact O-N 3.33Å; G44-E47 PolarHBondContact O-N 2.91Å; G44-A48 WeakPolarHBondContact O-CB 3.38Å; G44-A48 PolarHBondContact O-N 3.44Å
45	V	88.9	Confident	88.2	Confident	22 Å²	22	90.6 Å²	90.6	13%	0.133	50%	0.504	C	S	.	.	H	α-helix	trans	-63.4	-44.4	175.1	173.4	0	0	0	0	111.1	P41 I42 L43 A48 F49 M400 T401	P41-V45 VanDerWaalsContact O-CG2 3.3Å; P41-V45 WeakPolarHBondContact O-CG2 3.34Å; I42-V45 PolarHBondContact O-N 3.37Å; L43-V45 VanDerWaalsContact C-N 3.27Å; L43-V45 PolarHBondContact O-N 3.35Å; V45-A48 PolarHBondContact O-N 3.3Å; V45-F49 WeakPolarHBondContact O-CB 3.42Å; V45-F49 PolarHBondContact O-N 3.44Å; V45-M400 WeakPolarHBondContact CG2-O 3.35Å; V45-T401 HydrophobicContact CG2-CG2 4.33Å
46	T	89.1	Confident	88.2	Confident	29 Å²	29	88.1 Å²	88.1	18%	0.178	49%	0.49	C	S	.	.	H	α-helix	trans	-68.1	-37	179.5	-66.9	0	0	0	0	112.2	I42 L43 K50 N59	I42-T46 PolarHBondContact O-N 3.02Å; L43-T46 PolarHBondContact O-N 3.09Å; T46-K50 WeakPolarHBondContact O-CG 3.32Å; T46-K50 PolarHBondContact O-N 3.42Å; T46-N59 PolarHBondContact OG1-ND2 2.89Å
47	E	89.4	Confident	88.5	Confident	104 Å²	104	82.3 Å²	82.3	49%	0.486	46%	0.46	S	S	.	.	H	α-helix	trans	-66.7	-43	175.6	-70.4	-177.5	176.7	0	0	112.4	L43 G44 K50 R51	L43-E47 PolarHBondContact O-N 3.45Å; G44-E47 PolarHBondContact O-N 2.91Å; E47-K50 PolarHBondContact O-N 3.42Å; E47-K50 VanDerWaalsContact O-N 3.17Å; E47-R51 PolarHBondContact O-N 2.95Å; E47-R51 VanDerWaalsContact O-N 3.13Å; E47-R51 IonicContact OE2-NH1 3.17Å
48	A	91.9	Very high	89.1	Confident	28 Å²	28	80.2 Å²	80.2	23%	0.231	44%	0.438	C	S	.	.	H	α-helix	trans	-60.5	-46.3	175.1	0	0	0	0	0	111.1	G44 V45 K50 R51 D52 Y399	G44-A48 WeakPolarHBondContact O-CB 3.38Å; G44-A48 PolarHBondContact O-N 3.44Å; V45-A48 PolarHBondContact O-N 3.3Å; A48-K50 VanDerWaalsContact C-N 3.28Å; A48-K50 PolarHBondContact O-N 3.34Å; A48-R51 PolarHBondContact O-N 3.17Å; A48-R51 VanDerWaalsContact O-N 3.12Å; A48-D52 PolarHBondContact O-N 3.19Å; A48-D52 VanDerWaalsContact O-N 3.14Å; A48-Y399 HydrophobicContact CB-CD1 3.96Å; A48-Y399 HydrophobicContact CB-CE1 3.57Å
49	F	94.8	Very high	89.8	Confident	45 Å²	45	75.5 Å²	75.5	20%	0.197	41%	0.405	C	S	.	.	H	α-helix	trans	-55.4	-40.5	172.7	167.2	-95.4	0	0	0	112.9	V45 R51 D52 K57 N59 Y399	V45-F49 WeakPolarHBondContact O-CB 3.42Å; V45-F49 PolarHBondContact O-N 3.44Å; F49-R51 VanDerWaalsContact C-N 3.35Å; F49-D52 PolarHBondContact O-N 2.89Å; F49-K57 HydrophobicContact CD2-CB 4.21Å; F49-K57 HydrophobicContact CD2-CD 4.01Å; F49-K57 HydrophobicContact CD2-CG 4.03Å; F49-K57 HydrophobicContact CE2-CB 4.03Å; F49-K57 HydrophobicContact CE2-CD 3.81Å; F49-K57 HydrophobicContact CE2-CG 3.52Å; F49-K57 HydrophobicContact CZ-CD 4.27Å; F49-K57 HydrophobicContact CZ-CG 4.18Å; F49-K57 WeakPolarHBondContact O-CD 3.44Å; F49-K57 WeakPolarHBondContact O-CE 3.26Å; F49-K57 PolarHBondContact O-NZ 2.83Å; F49-N59 HydrophobicContact CB-CB 4.46Å; F49-N59 HydrophobicContact CD1-CB 3.81Å; F49-N59 HydrophobicContact CD2-CB 3.64Å; F49-N59 HydrophobicContact CE1-CB 3.86Å; F49-N59 HydrophobicContact CE2-CB 3.66Å; F49-N59 VanDerWaalsContact CE2-N 3.35Å; F49-N59 HydrophobicContact CG-CB 3.69Å; F49-N59 HydrophobicContact CZ-CB 3.79Å; F49-Y399 HydrophobicContact CB-CD1 4.17Å; F49-Y399 HydrophobicContact CB-CD2 3.84Å; F49-Y399 HydrophobicContact CB-CE2 4.31Å; F49-Y399 HydrophobicContact CB-CG 3.77Å; F49-Y399 AromaticContact CD2-CD2 3.8Å; F49-Y399 HydrophobicContact CD2-CD2 3.8Å; F49-Y399 HydrophobicContact CD2-CE2 4.36Å; F49-Y399 HydrophobicContact CD2-CG 4.43Å; F49-Y399 HydrophobicContact CG-CD2 4.33Å
50	K	93.8	Very high	90.8	Very high	152 Å²	152	70 Å²	70	66%	0.661	37%	0.37	S	S	*	.	H	α-helix	trans	-66.1	-37	179	-77.6	175.7	-179.8	179.9	0	112.3	T46 E47 A48	T46-K50 WeakPolarHBondContact O-CG 3.32Å; T46-K50 PolarHBondContact O-N 3.42Å; E47-K50 PolarHBondContact O-N 3.42Å; E47-K50 VanDerWaalsContact O-N 3.17Å; A48-K50 VanDerWaalsContact C-N 3.28Å; A48-K50 PolarHBondContact O-N 3.34Å
51	R	95.8	Very high	91.6	Very high	168 Å²	168	66.3 Å²	66.3	63%	0.634	35%	0.35	S	S	*	.	H	α-helix	trans	-74.2	-24.7	179.3	-69.3	-173.6	-66.6	-97.9	0.3	113.7	E47 A48 F49	E47-R51 PolarHBondContact O-N 2.95Å; E47-R51 VanDerWaalsContact O-N 3.13Å; E47-R51 IonicContact OE2-NH1 3.17Å; A48-R51 PolarHBondContact O-N 3.17Å; A48-R51 VanDerWaalsContact O-N 3.12Å; F49-R51 VanDerWaalsContact C-N 3.35Å
52	D	97.1	Very high	92	Very high	28 Å²	28	62.1 Å²	62.1	15%	0.15	32%	0.322	C	S	.	.			trans	-66.2	134.8	179.3	-164	-28.1	0	0	0	111.9	A48 F49 N54 K57 S397 Y399	A48-D52 PolarHBondContact O-N 3.19Å; A48-D52 VanDerWaalsContact O-N 3.14Å; F49-D52 PolarHBondContact O-N 2.89Å; D52-N54 WeakPolarHBondContact OD1-CB 3.21Å; D52-N54 PolarHBondContact OD1-N 3.32Å; D52-K57 HydrophobicContact CB-CD 3.87Å; D52-K57 WeakPolarHBondContact O-CD 3.48Å; D52-K57 WeakPolarHBondContact O-CE 3.25Å; D52-K57 PolarHBondContact O-NZ 3.16Å; D52-S397 WeakPolarHBondContact OD2-CB 3.47Å; D52-S397 PolarHBondContact OD2-OG 3.01Å; D52-Y399 HydrophobicContact CB-CE2 4.02Å; D52-Y399 VanDerWaalsContact CB-OH 3.31Å; D52-Y399 WeakPolarHBondContact CB-OH 3.46Å; D52-Y399 VanDerWaalsContact CG-OH 3.31Å; D52-Y399 VanDerWaalsContact OD2-CE2 3.24Å; D52-Y399 WeakPolarHBondContact OD2-CE2 3.4Å; D52-Y399 PolarHBondContact OD2-OH 3.44Å
53	T	97.4	Very high	92.4	Very high	136 Å²	136	61.3 Å²	61.3	83%	0.834	33%	0.327	S	S	*	.			trans	-99.8	-3	178.7	56.1	0	0	0	0	113.6
54	N	97.9	Very high	93.3	Very high	46 Å²	46	57 Å²	57	25%	0.246	31%	0.307	C	S	.	.			trans	-62.2	122.8	177.5	-175.9	-14.4	0	0	0	110.1	D52 K56 K57 S397	D52-N54 WeakPolarHBondContact OD1-CB 3.21Å; D52-N54 PolarHBondContact OD1-N 3.32Å; N54-K56 PolarHBondContact O-N 3.37Å; N54-K56 PolarHBondContact OD1-N 3.49Å; N54-K57 WeakPolarHBondContact O-CB 3.2Å; N54-K57 WeakPolarHBondContact O-CG 3.37Å; N54-K57 PolarHBondContact O-N 2.93Å; N54-K57 VanDerWaalsContact O-N 3.15Å; N54-S397 VanDerWaalsContact CB-OG 3.31Å; N54-S397 WeakPolarHBondContact CB-OG 3.31Å; N54-S397 WeakPolarHBondContact ND2-CB 3.27Å; N54-S397 PolarHBondContact ND2-OG 3.07Å
55	P	96.1	Very high	93.9	Very high	129 Å²	129	56.3 Å²	56.3	84%	0.838	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.8	-179.7	27.4	-36	0	0	0	113.6
56	K	96.7	Very high	94.3	Very high	126 Å²	126	57.9 Å²	57.9	55%	0.548	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	4.7	177	-62.6	-172.9	177.7	-177.1	0	113.8	N54 Y418	N54-K56 PolarHBondContact O-N 3.37Å; N54-K56 PolarHBondContact OD1-N 3.49Å; K56-Y418 HydrophobicContact CB-CD1 4.31Å; K56-Y418 HydrophobicContact CB-CE1 3.79Å; K56-Y418 HydrophobicContact CB-CE2 4.45Å; K56-Y418 HydrophobicContact CD-CD2 4.08Å; K56-Y418 HydrophobicContact CD-CE2 3.71Å; K56-Y418 WeakPolarHBondContact O-CE1 3.31Å
57	K	97.3	Very high	94.7	Very high	61 Å²	61	58 Å²	58	27%	0.265	30%	0.297	S	S	.	.			trans	-58.4	141.8	-177.5	67.3	-179.3	-175.1	177.3	0	112.5	F49 D52 N54 S397 Y399	F49-K57 HydrophobicContact CD2-CB 4.21Å; F49-K57 HydrophobicContact CD2-CD 4.01Å; F49-K57 HydrophobicContact CD2-CG 4.03Å; F49-K57 HydrophobicContact CE2-CB 4.03Å; F49-K57 HydrophobicContact CE2-CD 3.81Å; F49-K57 HydrophobicContact CE2-CG 3.52Å; F49-K57 HydrophobicContact CZ-CD 4.27Å; F49-K57 HydrophobicContact CZ-CG 4.18Å; F49-K57 WeakPolarHBondContact O-CD 3.44Å; F49-K57 WeakPolarHBondContact O-CE 3.26Å; F49-K57 PolarHBondContact O-NZ 2.83Å; D52-K57 HydrophobicContact CB-CD 3.87Å; D52-K57 WeakPolarHBondContact O-CD 3.48Å; D52-K57 WeakPolarHBondContact O-CE 3.25Å; D52-K57 PolarHBondContact O-NZ 3.16Å; N54-K57 WeakPolarHBondContact O-CB 3.2Å; N54-K57 WeakPolarHBondContact O-CG 3.37Å; N54-K57 PolarHBondContact O-N 2.93Å; N54-K57 VanDerWaalsContact O-N 3.15Å; K57-S397 CarbonylContact C-O 3.56Å; K57-S397 VanDerWaalsContact CA-O 3.28Å; K57-S397 WeakPolarHBondContact CA-O 3.4Å; K57-Y399 HydrophobicContact CB-CE2 4.48Å
58	M	97.3	Very high	95	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.02	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.2	179.5	-64.5	178.8	60.5	0	0	110.8	L60 S397 V398 Y399 N415 Y418 L419	M58-L60 HydrophobicContact CB-CG 4.42Å; M58-L60 HydrophobicContact CE-CD1 4.3Å; M58-L60 HydrophobicContact CE-CD2 3.96Å; M58-L60 HydrophobicContact CE-CG 4.43Å; M58-S397 PolarHBondContact N-O 3.19Å; M58-V398 HydrophobicContact CB-CG1 4.5Å; M58-V398 HydrophobicContact CB-CG2 4.38Å; M58-V398 HydrophobicContact SD-CG2 4.2Å; M58-Y399 WeakPolarHBondContact O-CB 3.48Å; M58-Y399 PolarHBondContact O-N 3.18Å; M58-N415 HydrophobicContact CE-CB 3.96Å; M58-N415 WeakPolarHBondContact CE-ND2 3.17Å; M58-N415 VanDerWaalsContact CE-OD1 3.28Å; M58-N415 WeakPolarHBondContact CE-OD1 3.4Å; M58-N415 HydrophobicContact CG-CB 4.41Å; M58-N415 HydrophobicContact SD-CB 3.92Å; M58-Y418 HydrophobicContact SD-CD1 3.97Å; M58-L419 HydrophobicContact CE-CB 3.84Å; M58-L419 HydrophobicContact CE-CD1 4.35Å; M58-L419 HydrophobicContact CE-CD2 4.05Å; M58-L419 HydrophobicContact CE-CG 4.31Å; M58-L419 HydrophobicContact SD-CB 4.1Å
59	N	96.1	Very high	95.2	Very high	23 Å²	23	60.5 Å²	60.5	12%	0.123	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	98	171.6	-171.9	-9.5	0	0	0	110.1	T46 F49 G61 V62	T46-N59 PolarHBondContact OG1-ND2 2.89Å; F49-N59 HydrophobicContact CB-CB 4.46Å; F49-N59 HydrophobicContact CD1-CB 3.81Å; F49-N59 HydrophobicContact CD2-CB 3.64Å; F49-N59 HydrophobicContact CE1-CB 3.86Å; F49-N59 HydrophobicContact CE2-CB 3.66Å; F49-N59 VanDerWaalsContact CE2-N 3.35Å; F49-N59 HydrophobicContact CG-CB 3.69Å; F49-N59 HydrophobicContact CZ-CB 3.79Å; N59-G61 PolarHBondContact OD1-N 3.17Å; N59-V62 PolarHBondContact OD1-N 2.72Å
60	L	96.7	Very high	95.2	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.314	C	S	.	.			trans	-101.3	8.7	173.8	-52.1	-173.8	0	0	0	112	M58 V398 Y399 M400 I406 S407 V411 L419	M58-L60 HydrophobicContact CB-CG 4.42Å; M58-L60 HydrophobicContact CE-CD1 4.3Å; M58-L60 HydrophobicContact CE-CD2 3.96Å; M58-L60 HydrophobicContact CE-CG 4.43Å; L60-V398 HydrophobicContact CD1-CG1 3.71Å; L60-V398 HydrophobicContact CG-CG1 4.27Å; L60-Y399 CarbonylContact C-O 3.54Å; L60-Y399 VanDerWaalsContact CA-O 3.3Å; L60-Y399 WeakPolarHBondContact CA-O 3.46Å; L60-Y399 WeakPolarHBondContact CB-O 3.29Å; L60-Y399 PolarHBondContact N-O 2.9Å; L60-M400 HydrophobicContact CB-CB 4.3Å; L60-M400 HydrophobicContact CD1-CE 4.2Å; L60-I406 HydrophobicContact CB-CB 4.03Å; L60-I406 HydrophobicContact CB-CG2 4.17Å; L60-I406 HydrophobicContact CD1-CB 4.13Å; L60-I406 HydrophobicContact CD1-CG2 3.95Å; L60-I406 CarbonylContact O-C 3.47Å; L60-S407 VanDerWaalsContact O-CB 3.31Å; L60-S407 WeakPolarHBondContact O-CB 3.28Å; L60-S407 PolarHBondContact O-N 2.96Å; L60-V411 HydrophobicContact CD2-CG2 3.91Å; L60-L419 HydrophobicContact CD1-CD1 3.67Å; L60-L419 HydrophobicContact CD1-CD2 3.82Å; L60-L419 HydrophobicContact CD1-CG 4.42Å
61	G	91.9	Very high	95.2	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.309	C	S	.	.			trans	-87.4	-15.6	171.3	0	0	0	0	0	113.8	I42 N59 G63 Y399 R405	I42-G61 WeakPolarHBondContact CG2-O 3.41Å; N59-G61 PolarHBondContact OD1-N 3.17Å; G61-G63 PolarHBondContact O-N 3.35Å; G61-Y399 PolarHBondContact N-O 2.9Å; G61-R405 PolarHBondContact O-NH2 3.46Å
62	V	83.9	Confident	95.3	Very high	16 Å²	16	55.6 Å²	55.6	10%	0.097	31%	0.309	C	S	.	.			trans	-66.9	128.2	-170.9	67.1	0	0	0	0	113.4	N59 A64 S407	N59-V62 PolarHBondContact OD1-N 2.72Å; V62-A64 VanDerWaalsContact C-N 3.29Å; V62-A64 HydrophobicContact CG2-CB 4.31Å; V62-A64 PolarHBondContact O-N 2.96Å; V62-S407 WeakPolarHBondContact O-CB 3.45Å; V62-S407 PolarHBondContact O-OG 3.19Å
63	G	88.9	Confident	95.3	Very high	35 Å²	35	57.4 Å²	57.4	36%	0.361	32%	0.315	S	S	.	.			trans	-88.5	30.1	178.9	0	0	0	0	0	115.2	G61	G61-G63 PolarHBondContact O-N 3.35Å
64	A	94.6	Very high	95.3	Very high	14 Å²	14	54.1 Å²	54.1	12%	0.116	30%	0.295	C	S	.	.	S	Bend	trans	-144.9	145.3	-177	0	0	0	0	0	111.5	V62 Y282 A409	V62-A64 VanDerWaalsContact C-N 3.29Å; V62-A64 HydrophobicContact CG2-CB 4.31Å; V62-A64 PolarHBondContact O-N 2.96Å; A64-Y282 HydrophobicContact CB-CD1 3.95Å; A64-Y282 HydrophobicContact CB-CE1 3.54Å; A64-Y282 HydrophobicContact CB-CE2 4.25Å; A64-Y282 HydrophobicContact CB-CG 4.48Å; A64-A409 WeakPolarHBondContact O-CB 3.17Å
65	Y	97.2	Very high	95.4	Very high	16 Å²	16	52 Å²	52	6%	0.063	28%	0.283	C	S	.	.			trans	-59.4	147.6	176.4	-178.1	-102.2	0	0	0	111.9	F73 F247 Y282 M345 R348 I349	Y65-F73 HydrophobicContact CD1-CB 3.8Å; Y65-F73 HydrophobicContact CD1-CD1 4.01Å; Y65-F73 HydrophobicContact CD1-CG 4.21Å; Y65-F73 HydrophobicContact CE1-CB 3.83Å; Y65-F73 AromaticContact CE1-CD1 3.72Å; Y65-F73 HydrophobicContact CE1-CD1 3.72Å; Y65-F73 HydrophobicContact CE1-CE1 4.49Å; Y65-F73 AromaticContact CE1-CG 3.86Å; Y65-F73 HydrophobicContact CE1-CG 3.86Å; Y65-F247 AromaticContact CD2-CE2 3.77Å; Y65-F247 HydrophobicContact CD2-CE2 3.77Å; Y65-F247 AromaticContact CD2-CZ 3.81Å; Y65-F247 HydrophobicContact CD2-CZ 3.81Å; Y65-F247 HydrophobicContact CG-CE2 4.03Å; Y65-F247 HydrophobicContact CG-CZ 4.3Å; Y65-Y282 VanDerWaalsContact CB-OH 3.29Å; Y65-Y282 WeakPolarHBondContact CB-OH 3.47Å; Y65-Y282 PolarHBondContact N-OH 2.84Å; Y65-M345 HydrophobicContact CD1-CG 4.08Å; Y65-M345 HydrophobicContact CD1-SD 3.67Å; Y65-M345 HydrophobicContact CD2-CB 4.36Å; Y65-M345 HydrophobicContact CD2-CG 4.49Å; Y65-M345 HydrophobicContact CE1-CB 4.38Å; Y65-M345 HydrophobicContact CE1-CG 3.64Å; Y65-M345 HydrophobicContact CE1-SD 3.84Å; Y65-M345 HydrophobicContact CE2-CB 3.89Å; Y65-M345 HydrophobicContact CE2-CG 4.06Å; Y65-M345 HydrophobicContact CG-CG 4.49Å; Y65-M345 HydrophobicContact CG-SD 4.04Å; Y65-R348 WeakPolarHBondContact OH-CD 3.29Å; Y65-R348 PolarHBondContact OH-NE 3.19Å; Y65-R348 VanDerWaalsContact OH-NE 3.08Å; Y65-I349 HydrophobicContact CD2-CD1 4.32Å; Y65-I349 HydrophobicContact CD2-CG1 4.47Å; Y65-I349 HydrophobicContact CE2-CD1 4.33Å; Y65-I349 HydrophobicContact CE2-CG1 4.32Å
66	R	97.3	Very high	95.5	Very high	56 Å²	56	48.5 Å²	48.5	21%	0.211	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-133.5	150.2	171.2	-60.9	-67.6	-179.6	-93.9	4.5	109	G70 K71 R348 A409	R66-G70 WeakPolarHBondContact CD-O 3.49Å; R66-K71 VanDerWaalsContact CA-O 3.22Å; R66-K71 WeakPolarHBondContact CA-O 3.36Å; R66-K71 WeakPolarHBondContact CD-O 3.32Å; R66-R348 PolarHBondContact O-NE 3.09Å; R66-R348 PolarHBondContact O-NH2 3.15Å; R66-A409 WeakPolarHBondContact CB-O 3.37Å
67	D	96.5	Very high	95.6	Very high	31 Å²	31	42.5 Å²	42.5	17%	0.166	24%	0.236	C	C	.	.			trans	-69.4	179.2	167.9	63.8	20.9	0	0	0	111.6	Q69 G70 K71 F73	D67-Q69 PolarHBondContact O-N 3.32Å; D67-Q69 VanDerWaalsContact OD1-C 3.3Å; D67-Q69 WeakPolarHBondContact OD1-CA 3.46Å; D67-Q69 WeakPolarHBondContact OD1-CB 3.35Å; D67-Q69 PolarHBondContact OD1-N 3.33Å; D67-G70 PolarHBondContact O-N 3.37Å; D67-G70 PolarHBondContact OD1-N 2.93Å; D67-K71 PolarHBondContact N-O 3.47Å; D67-K71 VanDerWaalsContact N-O 3.07Å; D67-K71 PolarHBondContact OD1-N 2.73Å; D67-F73 HydrophobicContact CB-CD2 4.3Å
68	D	96.7	Very high	95.7	Very high	47 Å²	47	39.7 Å²	39.7	25%	0.251	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-6.7	-179	-155.4	51.2	0	0	0	113.1	T412 S413	D68-T412 WeakPolarHBondContact O-CB 3.25Å; D68-T412 VanDerWaalsContact O-CG2 3.25Å; D68-T412 WeakPolarHBondContact O-CG2 3.47Å; D68-T412 WeakPolarHBondContact OD1-CA 3.39Å; D68-S413 PolarHBondContact OD1-N 3.5Å; D68-S413 WeakPolarHBondContact OD2-CB 3.36Å; D68-S413 PolarHBondContact OD2-OG 3.29Å
69	Q	95.3	Very high	95.7	Very high	138 Å²	138	46.1 Å²	46.1	65%	0.645	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	5.5	170.8	-62.3	74.6	39.5	0	0	111.9	D67 K71	D67-Q69 PolarHBondContact O-N 3.32Å; D67-Q69 VanDerWaalsContact OD1-C 3.3Å; D67-Q69 WeakPolarHBondContact OD1-CA 3.46Å; D67-Q69 WeakPolarHBondContact OD1-CB 3.35Å; D67-Q69 PolarHBondContact OD1-N 3.33Å; Q69-K71 VanDerWaalsContact C-N 3.29Å; Q69-K71 HydrophobicContact CB-CG 4.26Å; Q69-K71 PolarHBondContact O-N 3.48Å
70	G	93.8	Very high	95.9	Very high	35 Å²	35	51 Å²	51	36%	0.361	27%	0.268	S	S	.	.	S	Bend	trans	71.7	18.8	179.7	0	0	0	0	0	114	R66 D67	R66-G70 WeakPolarHBondContact CD-O 3.49Å; D67-G70 PolarHBondContact O-N 3.37Å; D67-G70 PolarHBondContact OD1-N 2.93Å
71	K	95.1	Very high	96	Very high	131 Å²	131	51 Å²	51	57%	0.57	27%	0.268	S	S	*	.			trans	-97.4	153.7	-179	-56	-60.1	-175.5	-178.2	0	112.1	R66 D67 Q69 F73	R66-K71 VanDerWaalsContact CA-O 3.22Å; R66-K71 WeakPolarHBondContact CA-O 3.36Å; R66-K71 WeakPolarHBondContact CD-O 3.32Å; D67-K71 PolarHBondContact N-O 3.47Å; D67-K71 VanDerWaalsContact N-O 3.07Å; D67-K71 PolarHBondContact OD1-N 2.73Å; Q69-K71 VanDerWaalsContact C-N 3.29Å; Q69-K71 HydrophobicContact CB-CG 4.26Å; Q69-K71 PolarHBondContact O-N 3.48Å; K71-F73 PolarHBondContact O-N 2.93Å
72	P	96.6	Very high	96.3	Very high	95 Å²	95	53.8 Å²	53.8	62%	0.617	28%	0.281	S	S	*	.	B	Isolated β-bridge	trans	-55.3	137.1	168.3	-22.6	33.8	0	0	0	110.7
73	F	97.4	Very high	97	Very high	67 Å²	67	56 Å²	56	29%	0.294	30%	0.301	S	S	.	.			trans	-115.8	118.9	-176.4	-177.4	-106.2	0	0	0	109.9	Y65 D67 K71 L75 M345	Y65-F73 HydrophobicContact CD1-CB 3.8Å; Y65-F73 HydrophobicContact CD1-CD1 4.01Å; Y65-F73 HydrophobicContact CD1-CG 4.21Å; Y65-F73 HydrophobicContact CE1-CB 3.83Å; Y65-F73 AromaticContact CE1-CD1 3.72Å; Y65-F73 HydrophobicContact CE1-CD1 3.72Å; Y65-F73 HydrophobicContact CE1-CE1 4.49Å; Y65-F73 AromaticContact CE1-CG 3.86Å; Y65-F73 HydrophobicContact CE1-CG 3.86Å; D67-F73 HydrophobicContact CB-CD2 4.3Å; K71-F73 PolarHBondContact O-N 2.93Å; F73-L75 HydrophobicContact CD1-CD1 3.95Å; F73-L75 HydrophobicContact CE1-CD1 3.98Å; F73-L75 HydrophobicContact CE1-CG 4.03Å; F73-M345 HydrophobicContact CD1-CG 4.45Å; F73-M345 HydrophobicContact CD1-SD 4.07Å; F73-M345 HydrophobicContact CE1-CG 4.3Å; F73-M345 HydrophobicContact CE1-SD 4.27Å
74	V	98.5	Very high	97.4	Very high	66 Å²	66	57.4 Å²	57.4	40%	0.4	30%	0.3	S	S	.	.			trans	-103	121.4	171.8	-176	0	0	0	0	107.5	V78 R79	V74-V78 HydrophobicContact CG1-CB 4.25Å; V74-V78 HydrophobicContact CG1-CG1 3.94Å; V74-R79 HydrophobicContact CG1-CG 4.05Å
75	L	98.8	Very high	97.4	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.299	C	S	.	.			trans	-60.2	143.7	-178.2	-80	72.2	0	0	0	111	F73 C77 V78 R79 E341 M345	F73-L75 HydrophobicContact CD1-CD1 3.95Å; F73-L75 HydrophobicContact CE1-CD1 3.98Å; F73-L75 HydrophobicContact CE1-CG 4.03Å; L75-C77 VanDerWaalsContact C-N 3.27Å; L75-C77 PolarHBondContact O-N 2.88Å; L75-V78 HydrophobicContact CB-CB 4.3Å; L75-V78 HydrophobicContact CB-CG2 4.02Å; L75-V78 WeakPolarHBondContact O-CB 3.13Å; L75-V78 PolarHBondContact O-N 3.27Å; L75-V78 VanDerWaalsContact O-N 3.11Å; L75-R79 PolarHBondContact O-N 2.71Å; L75-E341 WeakPolarHBondContact CB-OE2 3.41Å; L75-E341 HydrophobicContact CD2-CB 3.98Å; L75-E341 HydrophobicContact CG-CB 4.21Å; L75-M345 HydrophobicContact CD1-CE 4.04Å; L75-M345 HydrophobicContact CD1-SD 4.01Å; L75-M345 HydrophobicContact CD2-CE 4.05Å; L75-M345 HydrophobicContact CG-CE 4.41Å
76	S	98.8	Very high	97.3	Very high	56 Å²	56	60.5 Å²	60.5	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-65	-35.8	177.3	-44	0	0	0	0	110.6	V78 R79 K80 E341	S76-V78 PolarHBondContact O-N 3.39Å; S76-R79 PolarHBondContact O-N 3.31Å; S76-K80 WeakPolarHBondContact O-CB 3.42Å; S76-K80 WeakPolarHBondContact O-CG 3.44Å; S76-K80 PolarHBondContact O-N 3.17Å; S76-E341 WeakPolarHBondContact CA-OE1 3.45Å; S76-E341 WeakPolarHBondContact CB-OE1 3.37Å; S76-E341 PolarHBondContact N-OE1 2.88Å; S76-E341 PolarHBondContact N-OE2 2.87Å; S76-E341 PolarHBondContact OG-OE1 3.46Å
77	C	98.8	Very high	97.3	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-59.9	-36.4	173.8	74.8	0	0	0	0	111.9	L75 A81 L337 W338 E341	L75-C77 VanDerWaalsContact C-N 3.27Å; L75-C77 PolarHBondContact O-N 2.88Å; C77-A81 WeakPolarHBondContact O-CB 3.08Å; C77-A81 PolarHBondContact O-N 3.38Å; C77-L337 HydrophobicContact CB-CB 4.4Å; C77-L337 HydrophobicContact CB-CD2 4.06Å; C77-L337 HydrophobicContact CB-CG 4.05Å; C77-W338 HydrophobicContact CB-CB 4.08Å; C77-E341 WeakPolarHBondContact CB-OE2 3.12Å; C77-E341 PolarHBondContact N-OE2 2.97Å; C77-E341 PolarHBondContact SG-OE2 3Å; C77-E341 VanDerWaalsContact SG-OE2 3.42Å
78	V	98.9	Very high	97.3	Very high	3 Å²	3	66 Å²	66	2%	0.018	36%	0.36	C	S	.	.	H	α-helix	trans	-67.4	-49.6	175	169.5	0	0	0	0	110.4	V74 L75 S76 K80 A81 E82 M279 L281 I324 I328	V74-V78 HydrophobicContact CG1-CB 4.25Å; V74-V78 HydrophobicContact CG1-CG1 3.94Å; L75-V78 HydrophobicContact CB-CB 4.3Å; L75-V78 HydrophobicContact CB-CG2 4.02Å; L75-V78 WeakPolarHBondContact O-CB 3.13Å; L75-V78 PolarHBondContact O-N 3.27Å; L75-V78 VanDerWaalsContact O-N 3.11Å; S76-V78 PolarHBondContact O-N 3.39Å; V78-K80 VanDerWaalsContact C-N 3.29Å; V78-K80 PolarHBondContact O-N 3.29Å; V78-A81 PolarHBondContact O-N 3.44Å; V78-A81 VanDerWaalsContact O-N 3.14Å; V78-E82 HydrophobicContact CG1-CG 4.34Å; V78-E82 WeakPolarHBondContact O-CG 3.26Å; V78-E82 PolarHBondContact O-N 3.41Å; V78-M279 WeakPolarHBondContact CG2-O 3.33Å; V78-L281 HydrophobicContact CG1-CD2 3.9Å; V78-L281 HydrophobicContact CG2-CD2 4.04Å; V78-I324 HydrophobicContact CB-CG2 4.48Å; V78-I324 HydrophobicContact CG1-CG2 4.1Å; V78-I324 HydrophobicContact CG2-CG2 4.27Å; V78-I328 HydrophobicContact CG2-CD1 3.8Å
79	R	98.8	Very high	97.2	Very high	139 Å²	139	72.1 Å²	72.1	53%	0.525	39%	0.387	S	S	.	.	H	α-helix	trans	-57.2	-42.4	177	-66.3	-54.4	-165.4	-174.7	2.9	112.7	V74 L75 S76 E82 A83	V74-R79 HydrophobicContact CG1-CG 4.05Å; L75-R79 PolarHBondContact O-N 2.71Å; S76-R79 PolarHBondContact O-N 3.31Å; R79-E82 VanDerWaalsContact CD-OE2 3.31Å; R79-E82 WeakPolarHBondContact CD-OE2 3.36Å; R79-E82 IonicContact CZ-OE2 3.54Å; R79-E82 IonicContact NH1-OE2 3.8Å; R79-E82 PolarHBondContact NH1-OE2 3.35Å; R79-E82 PolarHBondContact O-N 3.46Å; R79-A83 PolarHBondContact O-N 3.09Å
80	K	98.8	Very high	97.3	Very high	125 Å²	125	69.2 Å²	69.2	54%	0.543	38%	0.376	S	S	.	.	H	α-helix	trans	-65.2	-42.4	176.8	-71.8	-179.9	179.4	-171.8	0	111.8	S76 V78 A83 L84 L334 L337	S76-K80 WeakPolarHBondContact O-CB 3.42Å; S76-K80 WeakPolarHBondContact O-CG 3.44Å; S76-K80 PolarHBondContact O-N 3.17Å; V78-K80 VanDerWaalsContact C-N 3.29Å; V78-K80 PolarHBondContact O-N 3.29Å; K80-A83 PolarHBondContact O-N 2.9Å; K80-L84 WeakPolarHBondContact O-CB 3.46Å; K80-L84 PolarHBondContact O-N 3.28Å; K80-L334 HydrophobicContact CB-CD2 3.7Å; K80-L334 HydrophobicContact CD-CD2 4.01Å; K80-L337 HydrophobicContact CD-CD2 3.9Å
81	A	98.7	Very high	97.4	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-64.1	-42.6	175.6	0	0	0	0	0	112.2	C77 V78 A83 L84 M85 I324 T327 I328 L334	C77-A81 WeakPolarHBondContact O-CB 3.08Å; C77-A81 PolarHBondContact O-N 3.38Å; V78-A81 PolarHBondContact O-N 3.44Å; V78-A81 VanDerWaalsContact O-N 3.14Å; A81-A83 PolarHBondContact O-N 3.44Å; A81-L84 PolarHBondContact O-N 2.86Å; A81-M85 WeakPolarHBondContact O-CB 3.37Å; A81-M85 VanDerWaalsContact O-CG 3.27Å; A81-M85 WeakPolarHBondContact O-CG 3.43Å; A81-M85 PolarHBondContact O-N 2.97Å; A81-I324 HydrophobicContact CB-CG2 4.14Å; A81-T327 HydrophobicContact CB-CG2 3.92Å; A81-I328 HydrophobicContact CB-CD1 4.33Å; A81-I328 HydrophobicContact CB-CG1 3.84Å; A81-L334 HydrophobicContact CB-CD1 4.39Å
82	E	98.6	Very high	97.5	Very high	59 Å²	59	74.2 Å²	74.2	28%	0.276	39%	0.392	S	S	.	.	H	α-helix	trans	-57.2	-48.2	174	-72.1	-179	138.3	0	0	111.4	V78 R79 L84 M85 A86 I324	V78-E82 HydrophobicContact CG1-CG 4.34Å; V78-E82 WeakPolarHBondContact O-CG 3.26Å; V78-E82 PolarHBondContact O-N 3.41Å; R79-E82 VanDerWaalsContact CD-OE2 3.31Å; R79-E82 WeakPolarHBondContact CD-OE2 3.36Å; R79-E82 IonicContact CZ-OE2 3.54Å; R79-E82 IonicContact NH1-OE2 3.8Å; R79-E82 PolarHBondContact NH1-OE2 3.35Å; R79-E82 PolarHBondContact O-N 3.46Å; E82-L84 PolarHBondContact O-N 3.41Å; E82-M85 PolarHBondContact O-N 2.96Å; E82-A86 WeakPolarHBondContact O-CB 3.32Å; E82-A86 PolarHBondContact O-N 3.47Å; E82-I324 HydrophobicContact CG-CD1 3.77Å; E82-I324 HydrophobicContact CG-CG1 4.24Å
83	A	98.4	Very high	97.6	Very high	62 Å²	62	76 Å²	76	51%	0.512	39%	0.392	S	S	.	.	H	α-helix	trans	-61.9	-44.3	178.8	0	0	0	0	0	112.3	R79 K80 A81 M85 A86 S87	R79-A83 PolarHBondContact O-N 3.09Å; K80-A83 PolarHBondContact O-N 2.9Å; A81-A83 PolarHBondContact O-N 3.44Å; A83-M85 VanDerWaalsContact C-N 3.33Å; A83-M85 PolarHBondContact O-N 3.01Å; A83-A86 PolarHBondContact O-N 2.84Å; A83-S87 PolarHBondContact O-N 2.87Å
84	L	96.9	Very high	97.7	Very high	65 Å²	65	82.1 Å²	82.1	34%	0.34	41%	0.414	S	S	.	.	H	α-helix	trans	-64.5	-36.9	176.8	-179.5	62.9	0	0	0	112.4	K80 A81 E82 S87 K88 T327	K80-L84 WeakPolarHBondContact O-CB 3.46Å; K80-L84 PolarHBondContact O-N 3.28Å; A81-L84 PolarHBondContact O-N 2.86Å; E82-L84 PolarHBondContact O-N 3.41Å; L84-S87 PolarHBondContact O-OG 2.93Å; L84-K88 WeakPolarHBondContact O-CG 3.45Å; L84-T327 HydrophobicContact CD2-CG2 3.84Å
85	M	95.2	Very high	97.7	Very high	20 Å²	20	79.7 Å²	79.7	10%	0.099	40%	0.399	C	S	.	.	H	α-helix	trans	-68	-42.8	175.4	-75.8	171.9	47.3	0	0	111.6	A81 E82 A83 S87 K88 R323 I324	A81-M85 WeakPolarHBondContact O-CB 3.37Å; A81-M85 VanDerWaalsContact O-CG 3.27Å; A81-M85 WeakPolarHBondContact O-CG 3.43Å; A81-M85 PolarHBondContact O-N 2.97Å; E82-M85 PolarHBondContact O-N 2.96Å; A83-M85 VanDerWaalsContact C-N 3.33Å; A83-M85 PolarHBondContact O-N 3.01Å; M85-S87 VanDerWaalsContact C-N 3.33Å; M85-S87 PolarHBondContact O-N 2.97Å; M85-K88 PolarHBondContact O-N 3.36Å; M85-R323 HydrophobicContact CE-CB 3.36Å; M85-R323 HydrophobicContact CE-CG 4.37Å; M85-R323 HydrophobicContact SD-CB 3.61Å; M85-I324 HydrophobicContact CE-CG1 4.04Å; M85-I324 HydrophobicContact SD-CB 4.24Å; M85-I324 HydrophobicContact SD-CG1 3.55Å; M85-I324 VanDerWaalsContact SD-CG1 3.55Å; M85-I324 PolarHBondContact SD-N 3.39Å; M85-I324 VanDerWaalsContact SD-N 3.35Å
86	A	96.2	Very high	97.7	Very high	75 Å²	75	83.7 Å²	83.7	62%	0.62	43%	0.425	S	S	*	.	H	α-helix	trans	-63.1	-39.5	179.1	0	0	0	0	0	111.7	E82 A83 K88 Q89	E82-A86 WeakPolarHBondContact O-CB 3.32Å; E82-A86 PolarHBondContact O-N 3.47Å; A83-A86 PolarHBondContact O-N 2.84Å; A86-K88 PolarHBondContact O-N 2.86Å; A86-Q89 PolarHBondContact O-N 3.39Å
87	S	97.3	Very high	97.7	Very high	82 Å²	82	82.7 Å²	82.7	57%	0.573	42%	0.415	S	S	*	.	H	α-helix	trans	-65.4	-21.7	178.8	72.9	0	0	0	0	113.6	A83 L84 M85	A83-S87 PolarHBondContact O-N 2.87Å; L84-S87 PolarHBondContact O-OG 2.93Å; M85-S87 VanDerWaalsContact C-N 3.33Å; M85-S87 PolarHBondContact O-N 2.97Å
88	K	96.3	Very high	97.7	Very high	119 Å²	119	83.3 Å²	83.3	52%	0.517	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.9	179	-71.5	174.9	179.2	-175.8	0	114.2	L84 M85 A86 L90	L84-K88 WeakPolarHBondContact O-CG 3.45Å; M85-K88 PolarHBondContact O-N 3.36Å; A86-K88 PolarHBondContact O-N 2.86Å; K88-L90 HydrophobicContact CB-CD1 4.41Å; K88-L90 HydrophobicContact CB-CD2 3.82Å; K88-L90 HydrophobicContact CB-CG 3.8Å; K88-L90 PolarHBondContact O-N 3.41Å; K88-L90 VanDerWaalsContact O-N 3.16Å
89	Q	94.6	Very high	97.7	Very high	177 Å²	177	83.4 Å²	83.4	83%	0.827	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	42.7	178.7	-57.5	-177.7	35.6	0	0	113.7	A86	A86-Q89 PolarHBondContact O-N 3.39Å
90	L	95.9	Very high	97.7	Very high	76 Å²	76	78.9 Å²	78.9	40%	0.398	41%	0.407	S	S	.	.			trans	-66.2	150.4	-176.3	-56.6	175.1	0	0	0	112	K88	K88-L90 HydrophobicContact CB-CD1 4.41Å; K88-L90 HydrophobicContact CB-CD2 3.82Å; K88-L90 HydrophobicContact CB-CG 3.8Å; K88-L90 PolarHBondContact O-N 3.41Å; K88-L90 VanDerWaalsContact O-N 3.16Å
91	D	96.8	Very high	97.6	Very high	88 Å²	88	75.2 Å²	75.2	47%	0.471	40%	0.404	S	S	.	.			trans	-63.9	175.8	171.1	65.4	66.3	0	0	0	113	E93 R323	D91-E93 HydrophobicContact CB-CG 4.28Å; D91-E93 PolarHBondContact OD1-N 3.1Å; D91-R323 PolarHBondContact O-NH1 2.95Å; D91-R323 PolarHBondContact O-NH2 3.46Å; D91-R323 IonicContact OD1-NH2 2.97Å
92	K	97.8	Very high	97.6	Very high	183 Å²	183	80.8 Å²	80.8	80%	0.796	43%	0.43	S	S	*	.			trans	-123.5	33.7	174.2	-58	-169.5	-173.6	-55.9	0	111.7
93	E	98.3	Very high	97.6	Very high	133 Å²	133	78 Å²	78	62%	0.621	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-65.7	161.3	178.3	-70.5	-56.8	126.2	0	0	111.7	D91 L95	D91-E93 HydrophobicContact CB-CG 4.28Å; D91-E93 PolarHBondContact OD1-N 3.1Å; E93-L95 PolarHBondContact O-N 3.39Å
94	Y	98.7	Very high	97.7	Very high	195 Å²	195	76 Å²	76	77%	0.765	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-60.3	138.7	176.8	-70.7	-61.2	0	0	0	111.6	N316	Y94-N316 WeakPolarHBondContact CD1-ND2 3.38Å; Y94-N316 WeakPolarHBondContact CD1-OD1 3.36Å
95	L	98.7	Very high	97.8	Very high	16 Å²	16	79.4 Å²	79.4	8%	0.084	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-73.6	158.2	165.9	-74.8	179.2	0	0	0	111	E93 F100 N316 P317 I319	E93-L95 PolarHBondContact O-N 3.39Å; L95-F100 HydrophobicContact CD1-CB 3.95Å; L95-F100 HydrophobicContact CD2-CB 3.82Å; L95-F100 HydrophobicContact CD2-CD2 3.96Å; L95-F100 HydrophobicContact CD2-CG 4.28Å; L95-N316 VanDerWaalsContact O-CB 3.26Å; L95-N316 WeakPolarHBondContact O-CB 3.32Å; L95-P317 HydrophobicContact CD1-CG 4.42Å; L95-I319 HydrophobicContact CD1-CB 3.9Å; L95-I319 HydrophobicContact CD1-CD1 4.41Å; L95-I319 HydrophobicContact CD1-CG1 3.94Å; L95-I319 HydrophobicContact CD2-CD1 3.57Å; L95-I319 HydrophobicContact CD2-CG1 3.91Å; L95-I319 HydrophobicContact CG-CB 4.06Å; L95-I319 HydrophobicContact CG-CD1 3.84Å; L95-I319 HydrophobicContact CG-CG1 3.93Å
96	P	98.8	Very high	97.9	Very high	85 Å²	85	78.5 Å²	78.5	55%	0.552	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-52.3	154.3	159.4	-23.5	34.1	0	0	0	111.2	G98 G99	P96-G98 PolarHBondContact O-N 3Å; P96-G99 WeakPolarHBondContact O-CA 3.14Å; P96-G99 PolarHBondContact O-N 3.13Å
97	I	98.8	Very high	98	Very high	34 Å²	34	75 Å²	75	17%	0.174	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-38.4	179.9	-61.2	166.8	0	0	0	111.7	G99 K307 I310 R311	I97-G99 PolarHBondContact O-N 2.92Å; I97-K307 HydrophobicContact CB-CB 4.28Å; I97-K307 HydrophobicContact CB-CG 4.15Å; I97-K307 HydrophobicContact CD1-CB 4.46Å; I97-K307 HydrophobicContact CG2-CB 3.86Å; I97-K307 HydrophobicContact CG2-CG 4Å; I97-K307 WeakPolarHBondContact CG2-O 3.3Å; I97-I310 HydrophobicContact CG2-CB 3.84Å; I97-I310 HydrophobicContact CG2-CG2 3.72Å; I97-R311 HydrophobicContact CD1-CB 4.2Å; I97-R311 HydrophobicContact CD1-CG 4.34Å
98	G	98.5	Very high	98.1	Very high	13 Å²	13	71.3 Å²	71.3	13%	0.134	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.5	176.2	0	0	0	0	0	114.4	P96 V127 Q128	P96-G98 PolarHBondContact O-N 3Å; G98-V127 WeakPolarHBondContact O-CA 3.39Å; G98-Q128 PolarHBondContact O-N 2.89Å
99	G	98.8	Very high	98.2	Very high	5 Å²	5	68.6 Å²	68.6	5%	0.052	34%	0.341	C	S	.	.			trans	96.3	-162.6	179.1	0	0	0	0	0	115.2	P96 I97 G101	P96-G99 WeakPolarHBondContact O-CA 3.14Å; P96-G99 PolarHBondContact O-N 3.13Å; I97-G99 PolarHBondContact O-N 2.92Å; G99-G101 PolarHBondContact O-N 3.16Å
100	F	98.8	Very high	98.4	Very high	45 Å²	45	60.2 Å²	60.2	20%	0.197	30%	0.302	C	S	.	.			trans	-80.5	113.7	-178	-173.6	-131.4	0	0	0	110.8	L95 E102 F103 T104 A322 R323 A326	L95-F100 HydrophobicContact CD1-CB 3.95Å; L95-F100 HydrophobicContact CD2-CB 3.82Å; L95-F100 HydrophobicContact CD2-CD2 3.96Å; L95-F100 HydrophobicContact CD2-CG 4.28Å; F100-E102 VanDerWaalsContact C-N 3.32Å; F100-E102 HydrophobicContact CD1-CB 4.25Å; F100-E102 HydrophobicContact CE1-CB 3.76Å; F100-E102 HydrophobicContact CE1-CG 4.29Å; F100-E102 WeakPolarHBondContact CE1-OE2 3.38Å; F100-E102 HydrophobicContact CE2-CG 4.49Å; F100-E102 HydrophobicContact CZ-CB 3.98Å; F100-E102 HydrophobicContact CZ-CG 3.99Å; F100-E102 WeakPolarHBondContact CZ-OE2 3.48Å; F100-E102 PolarHBondContact O-N 3.44Å; F100-F103 HydrophobicContact CB-CB 4.2Å; F100-F103 HydrophobicContact CD1-CB 3.94Å; F100-F103 WeakPolarHBondContact O-CA 3.38Å; F100-F103 WeakPolarHBondContact O-CB 3.28Å; F100-F103 PolarHBondContact O-N 2.85Å; F100-T104 PolarHBondContact O-N 3.37Å; F100-A322 HydrophobicContact CB-CB 4.33Å; F100-R323 HydrophobicContact CD1-CG 4.38Å; F100-R323 HydrophobicContact CE1-CG 4.14Å; F100-A326 HydrophobicContact CD1-CB 4.08Å; F100-A326 HydrophobicContact CE1-CB 3.81Å
101	G	98.6	Very high	98.6	Very high	47 Å²	47	56.6 Å²	56.6	49%	0.485	28%	0.283	S	S	.	.	H	α-helix	trans	-58.7	-36.6	-170.5	0	0	0	0	0	114.9	G99 F103 T104 K105	G99-G101 PolarHBondContact O-N 3.16Å; G101-F103 VanDerWaalsContact C-N 3.3Å; G101-F103 PolarHBondContact O-N 2.74Å; G101-T104 PolarHBondContact O-N 3.13Å; G101-T104 PolarHBondContact O-OG1 3.33Å; G101-K105 WeakPolarHBondContact O-CB 3.17Å; G101-K105 PolarHBondContact O-N 3.46Å; G101-K105 VanDerWaalsContact O-N 3.12Å
102	E	98.5	Very high	98.6	Very high	117 Å²	117	52.6 Å²	52.6	55%	0.547	26%	0.262	S	S	.	.	H	α-helix	trans	-65.2	-35.8	175.7	-61.2	-171.6	146.9	0	0	112	F100 A106 A326 N330	F100-E102 VanDerWaalsContact C-N 3.32Å; F100-E102 HydrophobicContact CD1-CB 4.25Å; F100-E102 HydrophobicContact CE1-CB 3.76Å; F100-E102 HydrophobicContact CE1-CG 4.29Å; F100-E102 WeakPolarHBondContact CE1-OE2 3.38Å; F100-E102 HydrophobicContact CE2-CG 4.49Å; F100-E102 HydrophobicContact CZ-CB 3.98Å; F100-E102 HydrophobicContact CZ-CG 3.99Å; F100-E102 WeakPolarHBondContact CZ-OE2 3.48Å; F100-E102 PolarHBondContact O-N 3.44Å; E102-A106 WeakPolarHBondContact O-CB 3.47Å; E102-A106 PolarHBondContact O-N 3.41Å; E102-A326 HydrophobicContact CB-CB 4.26Å; E102-N330 PolarHBondContact O-ND2 3.1Å
103	F	98.9	Very high	98.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-71.3	-48	175.4	168.1	-104	0	0	0	111.4	F100 G101 K105 A106 C107 Q128 F275 V286 G287 A322 A325 A326	F100-F103 HydrophobicContact CB-CB 4.2Å; F100-F103 HydrophobicContact CD1-CB 3.94Å; F100-F103 WeakPolarHBondContact O-CA 3.38Å; F100-F103 WeakPolarHBondContact O-CB 3.28Å; F100-F103 PolarHBondContact O-N 2.85Å; G101-F103 VanDerWaalsContact C-N 3.3Å; G101-F103 PolarHBondContact O-N 2.74Å; F103-K105 VanDerWaalsContact C-N 3.31Å; F103-K105 PolarHBondContact O-N 3.23Å; F103-A106 PolarHBondContact O-N 3.07Å; F103-C107 HydrophobicContact CE1-CB 4.38Å; F103-C107 HydrophobicContact CE2-CB 4.32Å; F103-C107 HydrophobicContact CZ-CB 4.12Å; F103-C107 WeakPolarHBondContact O-CB 3.34Å; F103-C107 PolarHBondContact O-N 3.45Å; F103-Q128 HydrophobicContact CD1-CB 3.95Å; F103-Q128 HydrophobicContact CD1-CG 3.81Å; F103-Q128 HydrophobicContact CE1-CB 3.96Å; F103-Q128 HydrophobicContact CE1-CG 3.68Å; F103-F275 AromaticContact CE2-CD2 3.99Å; F103-F275 HydrophobicContact CE2-CD2 3.99Å; F103-F275 AromaticContact CE2-CE2 3.66Å; F103-F275 HydrophobicContact CE2-CE2 3.66Å; F103-F275 HydrophobicContact CE2-CZ 4.06Å; F103-F275 AromaticContact CZ-CD2 3.93Å; F103-F275 HydrophobicContact CZ-CD2 3.93Å; F103-F275 AromaticContact CZ-CE2 3.62Å; F103-F275 HydrophobicContact CZ-CE2 3.62Å; F103-F275 HydrophobicContact CZ-CZ 4.41Å; F103-V286 HydrophobicContact CD2-CG1 4.35Å; F103-V286 HydrophobicContact CE1-CG1 4.28Å; F103-V286 HydrophobicContact CE2-CG1 3.49Å; F103-V286 VanDerWaalsContact CE2-CG1 3.49Å; F103-V286 HydrophobicContact CZ-CG1 3.46Å; F103-V286 VanDerWaalsContact CZ-CG1 3.46Å; F103-G287 WeakPolarHBondContact CE1-O 3.47Å; F103-A322 HydrophobicContact CB-CB 4.17Å; F103-A322 HydrophobicContact CD1-CB 4.21Å; F103-A322 HydrophobicContact CG-CB 4.03Å; F103-A325 HydrophobicContact CD2-CB 3.74Å; F103-A325 HydrophobicContact CE2-CB 3.74Å; F103-A326 HydrophobicContact CB-CB 4.06Å
104	T	98.8	Very high	98.4	Very high	21 Å²	21	41.4 Å²	41.4	13%	0.129	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-37.6	-176.1	56.5	0	0	0	0	112	F100 G101 A108 T126 Q128	F100-T104 PolarHBondContact O-N 3.37Å; G101-T104 PolarHBondContact O-N 3.13Å; G101-T104 PolarHBondContact O-OG1 3.33Å; T104-A108 PolarHBondContact O-N 2.82Å; T104-A108 VanDerWaalsContact O-N 3.13Å; T104-T126 WeakPolarHBondContact CB-O 3.3Å; T104-Q128 HydrophobicContact CG2-CB 3.97Å
105	K	98.7	Very high	98.2	Very high	137 Å²	137	38 Å²	38	60%	0.596	22%	0.223	S	C	*	.	H	α-helix	trans	-61.5	-50.5	171.9	-176.2	-179.9	178.2	-177	0	111.8	G101 F103 C107 A108 Q109	G101-K105 WeakPolarHBondContact O-CB 3.17Å; G101-K105 PolarHBondContact O-N 3.46Å; G101-K105 VanDerWaalsContact O-N 3.12Å; F103-K105 VanDerWaalsContact C-N 3.31Å; F103-K105 PolarHBondContact O-N 3.23Å; K105-C107 VanDerWaalsContact C-N 3.31Å; K105-C107 PolarHBondContact O-N 3.42Å; K105-A108 PolarHBondContact O-N 2.87Å; K105-Q109 WeakPolarHBondContact O-CG 3.46Å; K105-Q109 PolarHBondContact O-N 3.21Å
106	A	98.8	Very high	98.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-34.9	-179.8	0	0	0	0	0	112.6	E102 F103 Q109 L110 L329	E102-A106 WeakPolarHBondContact O-CB 3.47Å; E102-A106 PolarHBondContact O-N 3.41Å; F103-A106 PolarHBondContact O-N 3.07Å; A106-Q109 PolarHBondContact O-N 2.93Å; A106-L110 WeakPolarHBondContact O-CB 3.41Å; A106-L110 PolarHBondContact O-N 2.81Å; A106-L329 HydrophobicContact CB-CB 3.8Å; A106-L329 HydrophobicContact CB-CD1 3.77Å; A106-L329 HydrophobicContact CB-CG 4.44Å
107	C	98.8	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-48.7	174.7	-175.2	0	0	0	0	111.4	F103 K105 L110 A111 T126 Q273 F275	F103-C107 HydrophobicContact CE1-CB 4.38Å; F103-C107 HydrophobicContact CE2-CB 4.32Å; F103-C107 HydrophobicContact CZ-CB 4.12Å; F103-C107 WeakPolarHBondContact O-CB 3.34Å; F103-C107 PolarHBondContact O-N 3.45Å; K105-C107 VanDerWaalsContact C-N 3.31Å; K105-C107 PolarHBondContact O-N 3.42Å; C107-L110 PolarHBondContact O-N 3.38Å; C107-A111 PolarHBondContact O-N 3.44Å; C107-T126 HydrophobicContact CB-CG2 4.39Å; C107-Q273 PolarHBondContact O-NE2 2.9Å; C107-Q273 PolarHBondContact O-OE1 2.73Å; C107-Q273 VanDerWaalsContact SG-CD 3.53Å; C107-Q273 PolarHBondContact SG-OE1 2.81Å; C107-F275 HydrophobicContact CB-CE2 4.39Å; C107-F275 HydrophobicContact CB-CZ 4.35Å
108	A	98.8	Very high	98	Very high	5 Å²	5	37.4 Å²	37.4	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-43.4	177.5	0	0	0	0	0	112	T104 K105 L110 A111 L112 L119 T126	T104-A108 PolarHBondContact O-N 2.82Å; T104-A108 VanDerWaalsContact O-N 3.13Å; K105-A108 PolarHBondContact O-N 2.87Å; A108-L110 VanDerWaalsContact C-N 3.32Å; A108-L110 PolarHBondContact O-N 3.16Å; A108-A111 PolarHBondContact O-N 3.26Å; A108-L112 WeakPolarHBondContact O-CB 3.49Å; A108-L112 WeakPolarHBondContact O-CG 3.38Å; A108-L112 PolarHBondContact O-N 3.25Å; A108-L119 HydrophobicContact CB-CD2 3.96Å; A108-T126 WeakPolarHBondContact CB-OG1 3.48Å
109	Q	98.7	Very high	97.9	Very high	62 Å²	62	38.9 Å²	38.9	29%	0.29	22%	0.217	S	C	.	.	H	α-helix	trans	-60.6	-40.2	176.8	-75.9	176.5	-26.6	0	0	112.5	K105 A106 G113 L119	K105-Q109 WeakPolarHBondContact O-CG 3.46Å; K105-Q109 PolarHBondContact O-N 3.21Å; A106-Q109 PolarHBondContact O-N 2.93Å; Q109-G113 CarbonylContact O-C 3.56Å; Q109-G113 VanDerWaalsContact O-CA 3.3Å; Q109-G113 WeakPolarHBondContact O-CA 3.12Å; Q109-G113 PolarHBondContact O-N 3.05Å; Q109-L119 HydrophobicContact CB-CD1 4.46Å; Q109-L119 HydrophobicContact CG-CD1 3.83Å
110	L	98.8	Very high	97.9	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-61.4	-45.5	176	176.8	62.4	0	0	0	111.5	A106 C107 A108 Q245 I252 R260 F275 L329 W338	A106-L110 WeakPolarHBondContact O-CB 3.41Å; A106-L110 PolarHBondContact O-N 2.81Å; C107-L110 PolarHBondContact O-N 3.38Å; A108-L110 VanDerWaalsContact C-N 3.32Å; A108-L110 PolarHBondContact O-N 3.16Å; L110-Q245 PolarHBondContact O-NE2 3.47Å; L110-I252 HydrophobicContact CD1-CB 4.31Å; L110-I252 HydrophobicContact CD1-CD1 3.77Å; L110-I252 HydrophobicContact CD1-CG2 4.37Å; L110-R260 PolarHBondContact O-NH2 3.5Å; L110-F275 HydrophobicContact CD2-CE1 3.6Å; L110-F275 HydrophobicContact CD2-CZ 3.94Å; L110-L329 HydrophobicContact CD2-CD2 4.29Å; L110-W338 HydrophobicContact CD1-CH2 3.7Å; L110-W338 HydrophobicContact CD1-CZ3 4.08Å; L110-W338 HydrophobicContact CD2-CH2 3.75Å; L110-W338 HydrophobicContact CD2-CZ2 4.46Å; L110-W338 HydrophobicContact CG-CH2 4.4Å
111	A	98.7	Very high	97.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-52.2	179.2	0	0	0	0	0	112.6	C107 A108 M242 R260 L271	C107-A111 PolarHBondContact O-N 3.44Å; A108-A111 PolarHBondContact O-N 3.26Å; A111-M242 HydrophobicContact CB-CE 3.53Å; A111-R260 PolarHBondContact O-NE 2.68Å; A111-L271 HydrophobicContact CB-CD2 3.56Å
112	L	98.4	Very high	97.8	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-89.8	-19.9	-165.5	-54.3	-170.6	0	0	0	113.3	A108 N116 V118 L119 V259 R260 I263	A108-L112 WeakPolarHBondContact O-CB 3.49Å; A108-L112 WeakPolarHBondContact O-CG 3.38Å; A108-L112 PolarHBondContact O-N 3.25Å; L112-N116 HydrophobicContact CB-CB 4Å; L112-N116 WeakPolarHBondContact O-CB 3.48Å; L112-N116 PolarHBondContact O-ND2 3.2Å; L112-V118 HydrophobicContact CD1-CB 4.07Å; L112-V118 HydrophobicContact CD1-CG1 3.71Å; L112-L119 HydrophobicContact CB-CD1 4.36Å; L112-L119 HydrophobicContact CB-CG 4.4Å; L112-L119 HydrophobicContact CD1-CD2 3.91Å; L112-L119 HydrophobicContact CD1-CG 4.2Å; L112-V259 HydrophobicContact CD2-CG1 4.31Å; L112-R260 PolarHBondContact O-NE 2.7Å; L112-I263 HydrophobicContact CD2-CD1 3.44Å; L112-I263 VanDerWaalsContact CD2-CD1 3.44Å
113	G	97.6	Very high	97.8	Very high	14 Å²	14	40.8 Å²	40.8	14%	0.144	22%	0.223	C	C	.	.			trans	87.7	139.5	-166.8	0	0	0	0	0	110.9	Q109 D115 N116 L119	Q109-G113 CarbonylContact O-C 3.56Å; Q109-G113 VanDerWaalsContact O-CA 3.3Å; Q109-G113 WeakPolarHBondContact O-CA 3.12Å; Q109-G113 PolarHBondContact O-N 3.05Å; G113-D115 PolarHBondContact O-N 3.26Å; G113-D115 VanDerWaalsContact O-N 3.15Å; G113-N116 WeakPolarHBondContact O-CB 3.45Å; G113-N116 PolarHBondContact O-N 2.98Å; G113-N116 VanDerWaalsContact O-N 3.17Å; G113-L119 VanDerWaalsContact O-CD1 3.27Å; G113-L119 WeakPolarHBondContact O-CD1 3.43Å
114	A	94.1	Very high	97.8	Very high	68 Å²	68	41.9 Å²	41.9	56%	0.562	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.8	-172.7	0	0	0	0	0	113.7
115	D	94.1	Very high	97.8	Very high	124 Å²	124	41.3 Å²	41.3	66%	0.663	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	3.7	-177.4	-79.2	-59.9	0	0	0	115.2	G113 K120	G113-D115 PolarHBondContact O-N 3.26Å; G113-D115 VanDerWaalsContact O-N 3.15Å; D115-K120 VanDerWaalsContact O-CE 3.28Å; D115-K120 WeakPolarHBondContact O-CE 3.23Å; D115-K120 PolarHBondContact O-NZ 2.77Å; D115-K120 IonicContact OD1-NZ 2.71Å; D115-K120 PolarHBondContact OD1-NZ 3.04Å; D115-K120 VanDerWaalsContact OD1-NZ 3.08Å
116	N	95.9	Very high	97.8	Very high	22 Å²	22	35.9 Å²	35.9	12%	0.118	21%	0.206	C	C	.	.			trans	-63.8	137.8	-174.7	-161	-70.6	0	0	0	112.2	L112 G113 V118 L119 K120	L112-N116 HydrophobicContact CB-CB 4Å; L112-N116 WeakPolarHBondContact O-CB 3.48Å; L112-N116 PolarHBondContact O-ND2 3.2Å; G113-N116 WeakPolarHBondContact O-CB 3.45Å; G113-N116 PolarHBondContact O-N 2.98Å; G113-N116 VanDerWaalsContact O-N 3.17Å; N116-V118 PolarHBondContact O-N 3.08Å; N116-V118 WeakPolarHBondContact OD1-CB 3.37Å; N116-V118 WeakPolarHBondContact OD1-CG2 3.43Å; N116-V118 PolarHBondContact OD1-N 2.91Å; N116-L119 HydrophobicContact CB-CG 4.47Å; N116-L119 PolarHBondContact O-N 2.87Å; N116-L119 VanDerWaalsContact O-N 3.1Å; N116-K120 PolarHBondContact O-N 3.06Å
117	E	96.8	Very high	97.8	Very high	100 Å²	100	35.9 Å²	35.9	47%	0.467	21%	0.206	S	C	.	.	H	α-helix	trans	-57	-37.4	179.5	-174.5	-76	145.5	0	0	112	L119 K120 S121 R123	E117-L119 PolarHBondContact O-N 3.26Å; E117-K120 PolarHBondContact O-N 3.34Å; E117-S121 PolarHBondContact O-N 2.84Å; E117-S121 PolarHBondContact O-OG 3.33Å; E117-S121 WeakPolarHBondContact OE1-CB 3.4Å; E117-S121 PolarHBondContact OE1-OG 2.84Å; E117-R123 IonicContact OE1-NE 3.92Å; E117-R123 IonicContact OE2-CZ 3.44Å; E117-R123 IonicContact OE2-NE 2.93Å; E117-R123 PolarHBondContact OE2-NE 3.12Å; E117-R123 IonicContact OE2-NH2 3.86Å; E117-R123 PolarHBondContact OE2-NH2 3.25Å
118	V	98.3	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-54.8	-39.8	178.1	172.3	0	0	0	0	112.2	L112 N116 G122 R123 S124 I263 V292	L112-V118 HydrophobicContact CD1-CB 4.07Å; L112-V118 HydrophobicContact CD1-CG1 3.71Å; N116-V118 PolarHBondContact O-N 3.08Å; N116-V118 WeakPolarHBondContact OD1-CB 3.37Å; N116-V118 WeakPolarHBondContact OD1-CG2 3.43Å; N116-V118 PolarHBondContact OD1-N 2.91Å; V118-G122 PolarHBondContact O-N 2.94Å; V118-R123 HydrophobicContact CG1-CG 4.3Å; V118-R123 VanDerWaalsContact CG2-CZ 3.49Å; V118-R123 PolarHBondContact O-N 2.93Å; V118-S124 VanDerWaalsContact CG1-CB 3.44Å; V118-I263 HydrophobicContact CG2-CG2 3.41Å; V118-I263 VanDerWaalsContact CG2-CG2 3.41Å; V118-V292 HydrophobicContact CG1-CG1 4.05Å; V118-V292 HydrophobicContact CG1-CG2 4.17Å; V118-V292 HydrophobicContact CG2-CG1 3.91Å
119	L	98	Very high	97.8	Very high	43 Å²	43	35.7 Å²	35.7	23%	0.225	20%	0.204	C	C	.	.	H	α-helix	trans	-75.2	-41.4	179	-61.5	179.7	0	0	0	110.8	A108 Q109 L112 G113 N116 E117 G122	A108-L119 HydrophobicContact CB-CD2 3.96Å; Q109-L119 HydrophobicContact CB-CD1 4.46Å; Q109-L119 HydrophobicContact CG-CD1 3.83Å; L112-L119 HydrophobicContact CB-CD1 4.36Å; L112-L119 HydrophobicContact CB-CG 4.4Å; L112-L119 HydrophobicContact CD1-CD2 3.91Å; L112-L119 HydrophobicContact CD1-CG 4.2Å; G113-L119 VanDerWaalsContact O-CD1 3.27Å; G113-L119 WeakPolarHBondContact O-CD1 3.43Å; N116-L119 HydrophobicContact CB-CG 4.47Å; N116-L119 PolarHBondContact O-N 2.87Å; N116-L119 VanDerWaalsContact O-N 3.1Å; E117-L119 PolarHBondContact O-N 3.26Å; L119-G122 PolarHBondContact O-N 3.02Å
120	K	97.8	Very high	97.8	Very high	139 Å²	139	35.1 Å²	35.1	60%	0.604	20%	0.202	S	C	*	.	H	α-helix	trans	-65.5	-40.8	-178.9	-71.1	173.2	174.7	161.9	0	112.2	D115 N116 E117 G122	D115-K120 VanDerWaalsContact O-CE 3.28Å; D115-K120 WeakPolarHBondContact O-CE 3.23Å; D115-K120 PolarHBondContact O-NZ 2.77Å; D115-K120 IonicContact OD1-NZ 2.71Å; D115-K120 PolarHBondContact OD1-NZ 3.04Å; D115-K120 VanDerWaalsContact OD1-NZ 3.08Å; N116-K120 PolarHBondContact O-N 3.06Å; E117-K120 PolarHBondContact O-N 3.34Å; K120-G122 VanDerWaalsContact C-N 3.31Å
121	S	97.9	Very high	97.8	Very high	47 Å²	47	35.2 Å²	35.2	33%	0.329	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-7	176.5	56.6	0	0	0	0	113.9	E117 R123	E117-S121 PolarHBondContact O-N 2.84Å; E117-S121 PolarHBondContact O-OG 3.33Å; E117-S121 WeakPolarHBondContact OE1-CB 3.4Å; E117-S121 PolarHBondContact OE1-OG 2.84Å; S121-R123 PolarHBondContact O-N 2.83Å; S121-R123 WeakPolarHBondContact OG-CD 3.3Å; S121-R123 VanDerWaalsContact OG-CG 3.32Å; S121-R123 WeakPolarHBondContact OG-CG 3.4Å
122	G	98.1	Very high	97.8	Very high	35 Å²	35	35.5 Å²	35.5	36%	0.361	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	18	179.9	0	0	0	0	0	113.7	V118 L119 K120 S124	V118-G122 PolarHBondContact O-N 2.94Å; L119-G122 PolarHBondContact O-N 3.02Å; K120-G122 VanDerWaalsContact C-N 3.31Å; G122-S124 PolarHBondContact O-N 3.21Å; G122-S124 VanDerWaalsContact O-N 3.17Å
123	R	98.4	Very high	97.9	Very high	33 Å²	33	37.6 Å²	37.6	13%	0.125	22%	0.219	C	C	.	.			trans	-84.8	27.5	-178.2	72.1	-175.5	-179.3	86	-3.1	113.3	E117 V118 S121 N268 C293	E117-R123 IonicContact OE1-NE 3.92Å; E117-R123 IonicContact OE2-CZ 3.44Å; E117-R123 IonicContact OE2-NE 2.93Å; E117-R123 PolarHBondContact OE2-NE 3.12Å; E117-R123 IonicContact OE2-NH2 3.86Å; E117-R123 PolarHBondContact OE2-NH2 3.25Å; V118-R123 HydrophobicContact CG1-CG 4.3Å; V118-R123 VanDerWaalsContact CG2-CZ 3.49Å; V118-R123 PolarHBondContact O-N 2.93Å; S121-R123 PolarHBondContact O-N 2.83Å; S121-R123 WeakPolarHBondContact OG-CD 3.3Å; S121-R123 VanDerWaalsContact OG-CG 3.32Å; S121-R123 WeakPolarHBondContact OG-CG 3.4Å; R123-N268 PolarHBondContact NH1-OD1 3.47Å; R123-N268 VanDerWaalsContact NH1-OD1 3.13Å; R123-C293 PolarHBondContact NH1-O 3.48Å; R123-C293 VanDerWaalsContact NH1-O 3.16Å; R123-C293 WeakPolarHBondContact O-CA 3.26Å; R123-C293 WeakPolarHBondContact O-CB 3.49Å; R123-C293 PolarHBondContact O-N 3.5Å
124	S	98.4	Very high	97.9	Very high	23 Å²	23	37.5 Å²	37.5	16%	0.161	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.7	169.8	66.9	0	0	0	0	111.2	V118 G122 V291	V118-S124 VanDerWaalsContact CG1-CB 3.44Å; G122-S124 PolarHBondContact O-N 3.21Å; G122-S124 VanDerWaalsContact O-N 3.17Å; S124-V291 VanDerWaalsContact CA-O 3.24Å; S124-V291 WeakPolarHBondContact CA-O 3.43Å; S124-V291 WeakPolarHBondContact CB-O 3.37Å
125	V	98.8	Very high	98.2	Very high	10 Å²	10	34.3 Å²	34.3	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.8	169.1	53.4	0	0	0	0	108.7	V127 T290 V291 V302 E303 L306	V125-V127 HydrophobicContact CG2-CG1 4.31Å; V125-T290 CarbonylContact O-C 3.59Å; V125-T290 VanDerWaalsContact O-CA 3.22Å; V125-T290 WeakPolarHBondContact O-CA 3.47Å; V125-V291 HydrophobicContact CG1-CB 3.96Å; V125-V291 HydrophobicContact CG1-CG2 4.48Å; V125-V291 PolarHBondContact N-O 2.89Å; V125-V291 VanDerWaalsContact N-O 3.09Å; V125-V291 PolarHBondContact O-N 3.44Å; V125-V302 HydrophobicContact CG1-CB 4.01Å; V125-V302 HydrophobicContact CG1-CG1 3.55Å; V125-E303 HydrophobicContact CB-CB 4.32Å; V125-E303 HydrophobicContact CG2-CB 3.6Å; V125-E303 HydrophobicContact CG2-CG 3.67Å; V125-L306 HydrophobicContact CG1-CD1 4.06Å; V125-L306 HydrophobicContact CG2-CD1 4.36Å
126	T	98.9	Very high	98.4	Very high	22 Å²	22	28.4 Å²	28.4	14%	0.135	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125	172.1	-60.7	0	0	0	0	109.8	T104 C107 A108 F289 T290	T104-T126 WeakPolarHBondContact CB-O 3.3Å; C107-T126 HydrophobicContact CB-CG2 4.39Å; A108-T126 WeakPolarHBondContact CB-OG1 3.48Å; T126-F289 WeakPolarHBondContact CA-O 3.4Å; T126-T290 WeakPolarHBondContact CG2-OG1 3.5Å; T126-T290 WeakPolarHBondContact OG1-CG2 3.23Å; T126-T290 PolarHBondContact OG1-OG1 2.94Å
127	V	98.9	Very high	98.5	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.4	173.5	-63.7	0	0	0	0	110	G98 V125 T129 G288 F289 L306 I310	G98-V127 WeakPolarHBondContact O-CA 3.39Å; V125-V127 HydrophobicContact CG2-CG1 4.31Å; V127-T129 HydrophobicContact CG2-CG2 4.21Å; V127-G288 WeakPolarHBondContact O-CA 3.25Å; V127-F289 HydrophobicContact CG2-CB 3.99Å; V127-F289 HydrophobicContact CG2-CD1 4.37Å; V127-F289 PolarHBondContact N-O 3.37Å; V127-F289 PolarHBondContact O-N 3.48Å; V127-L306 HydrophobicContact CG1-CB 4.32Å; V127-L306 HydrophobicContact CG1-CD1 4.21Å; V127-L306 HydrophobicContact CG2-CD1 4.28Å; V127-I310 HydrophobicContact CB-CD1 4.08Å; V127-I310 HydrophobicContact CG1-CD1 4.4Å; V127-I310 HydrophobicContact CG2-CD1 3.86Å
128	Q	98.9	Very high	98.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	141.9	172.2	179.3	-173.4	-23	0	0	110.2	G98 F103 T104 Y314 P317 P318	G98-Q128 PolarHBondContact O-N 2.89Å; F103-Q128 HydrophobicContact CD1-CB 3.95Å; F103-Q128 HydrophobicContact CD1-CG 3.81Å; F103-Q128 HydrophobicContact CE1-CB 3.96Å; F103-Q128 HydrophobicContact CE1-CG 3.68Å; T104-Q128 HydrophobicContact CG2-CB 3.97Å; Q128-Y314 PolarHBondContact O-OH 3.05Å; Q128-P317 HydrophobicContact CB-CB 4.38Å; Q128-P317 HydrophobicContact CB-CG 3.87Å; Q128-P317 HydrophobicContact CG-CB 3.88Å; Q128-P317 HydrophobicContact CG-CG 3.81Å; Q128-P318 PolarHBondContact NE2-O 2.9Å
129	T	98.9	Very high	98.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	168	-175.6	60.3	0	0	0	0	111.8	V127 S131 S135 I138 G287 G288 F289	V127-T129 HydrophobicContact CG2-CG2 4.21Å; T129-S131 PolarHBondContact O-N 3.35Å; T129-S131 PolarHBondContact OG1-O 2.78Å; T129-S135 VanDerWaalsContact OG1-CB 3.29Å; T129-S135 WeakPolarHBondContact OG1-CB 3.4Å; T129-I138 HydrophobicContact CG2-CD1 3.52Å; T129-G287 PolarHBondContact N-O 3.14Å; T129-G287 PolarHBondContact O-N 3.49Å; T129-G287 VanDerWaalsContact OG1-C 3.22Å; T129-G287 PolarHBondContact OG1-O 2.98Å; T129-G288 PolarHBondContact OG1-N 3.3Å; T129-F289 HydrophobicContact CG2-CB 3.81Å
130	I	98.9	Very high	98.7	Very high	49 Å²	49	25.1 Å²	25.1	25%	0.251	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	70.4	177.1	-44.3	-55.8	0	0	0	109.7	G134 R285 Y314 P317 P318	I130-G134 WeakPolarHBondContact O-CA 3.32Å; I130-G134 PolarHBondContact O-N 2.84Å; I130-R285 CarbonylContact C-O 3.57Å; I130-R285 WeakPolarHBondContact CA-O 3.39Å; I130-R285 HydrophobicContact CG2-CB 3.63Å; I130-R285 HydrophobicContact CG2-CG 4.12Å; I130-Y314 HydrophobicContact CD1-CD1 4.5Å; I130-Y314 HydrophobicContact CD1-CD2 4.4Å; I130-Y314 HydrophobicContact CD1-CE1 4.33Å; I130-Y314 HydrophobicContact CD1-CE2 4.23Å; I130-Y314 HydrophobicContact CG1-CD1 3.98Å; I130-Y314 HydrophobicContact CG1-CE1 3.74Å; I130-Y314 HydrophobicContact CG1-CG 4.48Å; I130-P317 HydrophobicContact CD1-CB 4.38Å; I130-P318 HydrophobicContact CD1-CG 4.05Å
131	S	98.8	Very high	98.7	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.028	12%	0.118	C	C	.	.	H	α-helix	trans	59	-166.7	-173.7	-152	0	0	0	0	113.6	T129 T133 G134 S135 R285 V286	T129-S131 PolarHBondContact O-N 3.35Å; T129-S131 PolarHBondContact OG1-O 2.78Å; S131-T133 VanDerWaalsContact C-N 3.32Å; S131-T133 PolarHBondContact O-N 2.79Å; S131-G134 PolarHBondContact O-N 2.89Å; S131-S135 WeakPolarHBondContact O-CB 3.28Å; S131-S135 PolarHBondContact O-N 2.86Å; S131-R285 PolarHBondContact N-O 2.94Å; S131-R285 PolarHBondContact OG-NH1 2.87Å; S131-V286 WeakPolarHBondContact CA-O 3.37Å; S131-V286 PolarHBondContact OG-O 3.26Å
132	G	98.8	Very high	98.8	Very high	6 Å²	6	19.2 Å²	19.2	6%	0.062	11%	0.108	C	C	.	.	H	α-helix	trans	-59.3	-41	179.6	0	0	0	0	0	112.5	G134 S135 L136 S272	G132-G134 PolarHBondContact O-N 3.06Å; G132-S135 WeakPolarHBondContact O-CB 3.15Å; G132-S135 PolarHBondContact O-N 2.88Å; G132-L136 WeakPolarHBondContact O-CB 3.5Å; G132-L136 WeakPolarHBondContact O-CG 3.49Å; G132-L136 PolarHBondContact O-N 2.91Å; G132-S272 PolarHBondContact O-OG 3.35Å
133	T	98.9	Very high	98.8	Very high	48 Å²	48	17.7 Å²	17.7	29%	0.294	9%	0.092	S	C	.	.	H	α-helix	trans	-58.3	-46.3	175.8	-46.1	0	0	0	0	112.5	S131 S135 R137 W160 I166	S131-T133 VanDerWaalsContact C-N 3.32Å; S131-T133 PolarHBondContact O-N 2.79Å; T133-S135 VanDerWaalsContact C-N 3.34Å; T133-R137 WeakPolarHBondContact O-CB 3.48Å; T133-R137 PolarHBondContact O-N 2.94Å; T133-W160 HydrophobicContact CG2-CH2 4.48Å; T133-I166 HydrophobicContact CG2-CD1 3.98Å
134	G	98.9	Very high	98.8	Very high	12 Å²	12	17.5 Å²	17.5	12%	0.124	10%	0.097	C	C	.	.	H	α-helix	trans	-65.4	-39.7	177.6	0	0	0	0	0	111.8	I130 S131 G132 R137 I138	I130-G134 WeakPolarHBondContact O-CA 3.32Å; I130-G134 PolarHBondContact O-N 2.84Å; S131-G134 PolarHBondContact O-N 2.89Å; G132-G134 PolarHBondContact O-N 3.06Å; G134-R137 PolarHBondContact O-N 2.86Å; G134-I138 WeakPolarHBondContact O-CB 3.27Å; G134-I138 WeakPolarHBondContact O-CG1 3.21Å; G134-I138 PolarHBondContact O-N 3.2Å
135	S	98.9	Very high	98.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-49.6	174.7	175.6	0	0	0	0	112.6	T129 S131 G132 T133 R137 I138 G139 S272 G288 F289	T129-S135 VanDerWaalsContact OG1-CB 3.29Å; T129-S135 WeakPolarHBondContact OG1-CB 3.4Å; S131-S135 WeakPolarHBondContact O-CB 3.28Å; S131-S135 PolarHBondContact O-N 2.86Å; G132-S135 WeakPolarHBondContact O-CB 3.15Å; G132-S135 PolarHBondContact O-N 2.88Å; T133-S135 VanDerWaalsContact C-N 3.34Å; S135-R137 VanDerWaalsContact C-N 3.33Å; S135-R137 PolarHBondContact O-N 2.9Å; S135-I138 PolarHBondContact O-N 3.38Å; S135-G139 PolarHBondContact O-N 3.34Å; S135-S272 WeakPolarHBondContact CB-OG 3.28Å; S135-S272 WeakPolarHBondContact OG-CA 3.34Å; S135-S272 VanDerWaalsContact OG-CB 3.23Å; S135-S272 WeakPolarHBondContact OG-CB 3.25Å; S135-S272 PolarHBondContact OG-OG 3.29Å; S135-G288 WeakPolarHBondContact CB-O 3.48Å; S135-G288 PolarHBondContact OG-O 2.84Å; S135-F289 WeakPolarHBondContact OG-CA 3.37Å; S135-F289 WeakPolarHBondContact OG-CB 3.19Å
136	L	98.9	Very high	98.8	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-41.2	174.3	-71.9	160.9	0	0	0	112	G132 G139 G140 W160 I166 F167 F239 D241	G132-L136 WeakPolarHBondContact O-CB 3.5Å; G132-L136 WeakPolarHBondContact O-CG 3.49Å; G132-L136 PolarHBondContact O-N 2.91Å; L136-G139 PolarHBondContact O-N 2.9Å; L136-G140 PolarHBondContact O-N 2.68Å; L136-W160 HydrophobicContact CD1-CE3 4.25Å; L136-W160 HydrophobicContact CD1-CZ3 3.79Å; L136-I166 HydrophobicContact CB-CD1 4.11Å; L136-I166 HydrophobicContact CB-CG2 3.99Å; L136-I166 HydrophobicContact CD1-CD1 4.15Å; L136-F167 HydrophobicContact CD2-CE2 4.49Å; L136-F167 HydrophobicContact CD2-CZ 4.27Å; L136-F239 HydrophobicContact CD2-CD1 4.37Å; L136-F239 HydrophobicContact CD2-CE1 3.66Å; L136-F239 HydrophobicContact CD2-CZ 3.97Å; L136-D241 HydrophobicContact CD2-CB 4.4Å
137	R	98.9	Very high	98.7	Very high	93 Å²	93	26.3 Å²	26.3	35%	0.351	13%	0.127	S	C	.	.	H	α-helix	trans	-67.4	-42.3	178.3	-177.9	56.1	179.7	-91.2	9	112.5	T133 G134 S135 G140 N141 I166 D169	T133-R137 WeakPolarHBondContact O-CB 3.48Å; T133-R137 PolarHBondContact O-N 2.94Å; G134-R137 PolarHBondContact O-N 2.86Å; S135-R137 VanDerWaalsContact C-N 3.33Å; S135-R137 PolarHBondContact O-N 2.9Å; R137-G140 PolarHBondContact O-N 3.23Å; R137-N141 PolarHBondContact NE-OD1 2.94Å; R137-N141 VanDerWaalsContact NE-OD1 3.17Å; R137-N141 WeakPolarHBondContact O-CB 3.48Å; R137-N141 VanDerWaalsContact O-CG 3.26Å; R137-N141 PolarHBondContact O-N 3.16Å; R137-N141 PolarHBondContact O-OD1 3.09Å; R137-I166 HydrophobicContact CB-CG2 4.26Å; R137-D169 PolarHBondContact NH2-O 2.96Å; R137-D169 VanDerWaalsContact NH2-O 3.1Å
138	I	98.9	Very high	98.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-45.3	174.9	-73.7	163	0	0	0	110.2	T129 G134 S135 N141 Y142 F289 L306 I310 I313 Y314	T129-I138 HydrophobicContact CG2-CD1 3.52Å; G134-I138 WeakPolarHBondContact O-CB 3.27Å; G134-I138 WeakPolarHBondContact O-CG1 3.21Å; G134-I138 PolarHBondContact O-N 3.2Å; S135-I138 PolarHBondContact O-N 3.38Å; I138-N141 PolarHBondContact O-N 3.04Å; I138-Y142 VanDerWaalsContact O-CB 3.3Å; I138-Y142 WeakPolarHBondContact O-CB 3.47Å; I138-Y142 PolarHBondContact O-N 2.85Å; I138-F289 HydrophobicContact CG2-CD1 4.13Å; I138-L306 HydrophobicContact CG2-CD2 3.88Å; I138-I310 HydrophobicContact CD1-CD1 4.04Å; I138-I310 HydrophobicContact CD1-CG1 3.66Å; I138-I310 HydrophobicContact CG1-CG1 4.09Å; I138-I310 HydrophobicContact CG2-CD1 4.48Å; I138-I310 HydrophobicContact CG2-CG1 4.3Å; I138-I313 HydrophobicContact CG1-CD1 4.31Å; I138-Y314 HydrophobicContact CD1-CE1 3.92Å; I138-Y314 WeakPolarHBondContact CD1-OH 3.22Å
139	G	98.8	Very high	98.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-46.8	175.6	0	0	0	0	0	112.3	S135 L136 N141 Y142 L143 F289	S135-G139 PolarHBondContact O-N 3.34Å; L136-G139 PolarHBondContact O-N 2.9Å; G139-N141 PolarHBondContact O-N 2.93Å; G139-Y142 PolarHBondContact O-N 3.42Å; G139-L143 VanDerWaalsContact O-CG 3.27Å; G139-L143 WeakPolarHBondContact O-CG 3.28Å; G139-L143 PolarHBondContact O-N 3.08Å; G139-F289 VanDerWaalsContact CA-CZ 3.46Å
140	G	98.8	Very high	98.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.8	-48.1	174.8	0	0	0	0	0	112.6	L136 R137 Y142 L143 A144	L136-G140 PolarHBondContact O-N 2.68Å; R137-G140 PolarHBondContact O-N 3.23Å; G140-Y142 VanDerWaalsContact C-N 3.32Å; G140-Y142 PolarHBondContact O-N 3.31Å; G140-L143 PolarHBondContact O-N 3.48Å; G140-A144 WeakPolarHBondContact O-CB 3.27Å; G140-A144 PolarHBondContact O-N 3.48Å
141	N	98.8	Very high	98.1	Very high	30 Å²	30	36.7 Å²	36.7	16%	0.16	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-35.3	177.3	-70.5	-5.1	0	0	0	112.4	R137 I138 G139 R145 A170 L309	R137-N141 PolarHBondContact NE-OD1 2.94Å; R137-N141 VanDerWaalsContact NE-OD1 3.17Å; R137-N141 WeakPolarHBondContact O-CB 3.48Å; R137-N141 VanDerWaalsContact O-CG 3.26Å; R137-N141 PolarHBondContact O-N 3.16Å; R137-N141 PolarHBondContact O-OD1 3.09Å; I138-N141 PolarHBondContact O-N 3.04Å; G139-N141 PolarHBondContact O-N 2.93Å; N141-R145 WeakPolarHBondContact O-CB 3.36Å; N141-R145 PolarHBondContact O-N 3.31Å; N141-A170 WeakPolarHBondContact OD1-CB 3.44Å; N141-L309 HydrophobicContact CB-CD2 4.28Å
142	Y	98.8	Very high	98	Very high	33 Å²	33	38 Å²	38	13%	0.129	20%	0.198	C	C	.	.	H	α-helix	trans	-66	-48	176.1	180	-93.3	0	0	0	110.9	I138 G139 G140 R145 F146 V302 Q305 L306 L309	I138-Y142 VanDerWaalsContact O-CB 3.3Å; I138-Y142 WeakPolarHBondContact O-CB 3.47Å; I138-Y142 PolarHBondContact O-N 2.85Å; G139-Y142 PolarHBondContact O-N 3.42Å; G140-Y142 VanDerWaalsContact C-N 3.32Å; G140-Y142 PolarHBondContact O-N 3.31Å; Y142-R145 PolarHBondContact O-N 3.25Å; Y142-F146 AromaticContact CD2-CD2 3.49Å; Y142-F146 HydrophobicContact CD2-CD2 3.49Å; Y142-F146 VanDerWaalsContact CD2-CD2 3.49Å; Y142-F146 AromaticContact CD2-CE2 3.88Å; Y142-F146 HydrophobicContact CD2-CE2 3.88Å; Y142-F146 AromaticContact CE2-CD2 3.45Å; Y142-F146 HydrophobicContact CE2-CD2 3.45Å; Y142-F146 VanDerWaalsContact CE2-CD2 3.45Å; Y142-F146 AromaticContact CE2-CE2 3.93Å; Y142-F146 HydrophobicContact CE2-CE2 3.93Å; Y142-F146 HydrophobicContact CE2-CG 4.27Å; Y142-F146 HydrophobicContact CG-CD2 4.09Å; Y142-F146 WeakPolarHBondContact O-CD2 3.44Å; Y142-F146 PolarHBondContact O-N 3.17Å; Y142-V302 HydrophobicContact CE2-CG1 4.04Å; Y142-V302 WeakPolarHBondContact OH-CG2 3.47Å; Y142-Q305 HydrophobicContact CE2-CB 4.37Å; Y142-L306 HydrophobicContact CD2-CD2 3.54Å; Y142-L306 HydrophobicContact CD2-CG 4.08Å; Y142-L306 HydrophobicContact CE2-CD2 4.24Å; Y142-L306 HydrophobicContact CE2-CG 4.32Å; Y142-L306 HydrophobicContact CG-CD2 3.96Å; Y142-L309 HydrophobicContact CD2-CD1 3.88Å; Y142-L309 HydrophobicContact CG-CD1 4.39Å
143	L	98.6	Very high	98	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-44.6	177.1	-65.3	176.9	0	0	0	111.4	G139 G140 R145 F146 H147 M172 I204 L237 F239	G139-L143 VanDerWaalsContact O-CG 3.27Å; G139-L143 WeakPolarHBondContact O-CG 3.28Å; G139-L143 PolarHBondContact O-N 3.08Å; G140-L143 PolarHBondContact O-N 3.48Å; L143-R145 PolarHBondContact O-N 3.07Å; L143-R145 VanDerWaalsContact O-N 3.12Å; L143-F146 PolarHBondContact O-N 3.41Å; L143-H147 HydrophobicContact CB-CB 4.28Å; L143-H147 HydrophobicContact CD2-CB 4.23Å; L143-H147 WeakPolarHBondContact O-CB 3.43Å; L143-H147 PolarHBondContact O-N 3.16Å; L143-M172 HydrophobicContact CB-CE 4.17Å; L143-I204 HydrophobicContact CB-CD1 4.18Å; L143-I204 HydrophobicContact CD1-CD1 3.91Å; L143-I204 HydrophobicContact CD1-CG1 4.31Å; L143-I204 HydrophobicContact CD1-CG2 4.14Å; L143-I204 HydrophobicContact CG-CD1 4.44Å; L143-L237 HydrophobicContact CD2-CD2 3.48Å; L143-L237 VanDerWaalsContact CD2-CD2 3.48Å; L143-F239 HydrophobicContact CD1-CD2 3.65Å; L143-F239 HydrophobicContact CD1-CE2 4.01Å
144	A	98.4	Very high	98	Very high	29 Å²	29	36.8 Å²	36.8	24%	0.24	19%	0.186	C	C	.	.	H	α-helix	trans	-58.5	-27.9	176.9	0	0	0	0	0	113.7	G140 H151 A170 M172	G140-A144 WeakPolarHBondContact O-CB 3.27Å; G140-A144 PolarHBondContact O-N 3.48Å; A144-H151 PolarHBondContact O-CE1 2.98Å; A144-A170 WeakPolarHBondContact CB-O 3.23Å; A144-M172 VanDerWaalsContact CA-SD 3.53Å; A144-M172 HydrophobicContact CB-CG 4.46Å; A144-M172 HydrophobicContact CB-SD 3.65Å
145	R	98.5	Very high	98	Very high	138 Å²	138	36.7 Å²	36.7	52%	0.521	18%	0.183	S	C	.	.	H	α-helix	trans	-92.6	-35.1	-179.2	-172.2	175.2	-68.9	-177.1	0.4	113.6	N141 Y142 L143	N141-R145 WeakPolarHBondContact O-CB 3.36Å; N141-R145 PolarHBondContact O-N 3.31Å; Y142-R145 PolarHBondContact O-N 3.25Å; L143-R145 PolarHBondContact O-N 3.07Å; L143-R145 VanDerWaalsContact O-N 3.12Å
146	F	98.5	Very high	98	Very high	71 Å²	71	36.9 Å²	36.9	31%	0.311	18%	0.184	S	C	.	.	H	α-helix	trans	-124.3	-15.2	-165.4	-59.8	-65.2	0	0	0	115.1	Y142 L143 T148 Q305 L309	Y142-F146 AromaticContact CD2-CD2 3.49Å; Y142-F146 HydrophobicContact CD2-CD2 3.49Å; Y142-F146 VanDerWaalsContact CD2-CD2 3.49Å; Y142-F146 AromaticContact CD2-CE2 3.88Å; Y142-F146 HydrophobicContact CD2-CE2 3.88Å; Y142-F146 AromaticContact CE2-CD2 3.45Å; Y142-F146 HydrophobicContact CE2-CD2 3.45Å; Y142-F146 VanDerWaalsContact CE2-CD2 3.45Å; Y142-F146 AromaticContact CE2-CE2 3.93Å; Y142-F146 HydrophobicContact CE2-CE2 3.93Å; Y142-F146 HydrophobicContact CE2-CG 4.27Å; Y142-F146 HydrophobicContact CG-CD2 4.09Å; Y142-F146 WeakPolarHBondContact O-CD2 3.44Å; Y142-F146 PolarHBondContact O-N 3.17Å; L143-F146 PolarHBondContact O-N 3.41Å; F146-T148 PolarHBondContact O-N 3.1Å; F146-Q305 HydrophobicContact CE1-CG 4.13Å; F146-Q305 HydrophobicContact CE2-CB 3.71Å; F146-Q305 HydrophobicContact CE2-CG 4.21Å; F146-Q305 HydrophobicContact CZ-CB 3.68Å; F146-Q305 HydrophobicContact CZ-CG 3.7Å; F146-L309 HydrophobicContact CD2-CD1 4.48Å; F146-L309 HydrophobicContact CE2-CD1 3.87Å
147	H	97.7	Very high	98	Very high	30 Å²	30	43.6 Å²	43.6	14%	0.139	21%	0.213	C	C	.	.			trans	-69.5	129.6	174.5	-175.7	68.7	0	0	0	109.6	L143 G149 K202	L143-H147 HydrophobicContact CB-CB 4.28Å; L143-H147 HydrophobicContact CD2-CB 4.23Å; L143-H147 WeakPolarHBondContact O-CB 3.43Å; L143-H147 PolarHBondContact O-N 3.16Å; H147-G149 PolarHBondContact CD2-N 3Å; H147-G149 VanDerWaalsContact NE2-CA 3.27Å; H147-G149 WeakPolarHBondContact NE2-CA 3.35Å; H147-G149 PolarHBondContact NE2-N 3.44Å; H147-K202 PolarHBondContact CE1-O 3.34Å; H147-K202 PolarHBondContact NE2-O 3.23Å
148	T	95.2	Very high	97.9	Very high	137 Å²	137	41.1 Å²	41.1	84%	0.84	21%	0.209	S	C	*	.			trans	-99.4	-5.4	-174.5	54.9	0	0	0	0	113.8	F146	F146-T148 PolarHBondContact O-N 3.1Å
149	G	94.9	Very high	97.9	Very high	14 Å²	14	42 Å²	42	14%	0.144	22%	0.216	C	C	.	.	S	Bend	trans	-89.6	-165.5	174.5	0	0	0	0	0	112.8	H147 H151	H147-G149 PolarHBondContact CD2-N 3Å; H147-G149 VanDerWaalsContact NE2-CA 3.27Å; H147-G149 WeakPolarHBondContact NE2-CA 3.35Å; H147-G149 PolarHBondContact NE2-N 3.44Å; G149-H151 PolarHBondContact O-CD2 3.15Å; G149-H151 PolarHBondContact O-N 3.17Å
150	P	96.1	Very high	97.8	Very high	44 Å²	44	44.8 Å²	44.8	29%	0.286	23%	0.226	S	C	.	.			trans	-57.4	137.1	174.5	-22.3	33.4	0	0	0	111.8	D152	P150-D152 HydrophobicContact CB-CB 4.49Å; P150-D152 PolarHBondContact O-N 2.9Å
151	H	95.8	Very high	97.5	Very high	75 Å²	75	47.6 Å²	47.6	35%	0.347	26%	0.255	S	S	.	.			trans	-78.6	20.2	175.2	-73.5	-131	0	0	0	112.8	A144 G149 M172 Q173	A144-H151 PolarHBondContact O-CE1 2.98Å; G149-H151 PolarHBondContact O-CD2 3.15Å; G149-H151 PolarHBondContact O-N 3.17Å; H151-M172 HydrophobicContact CB-CE 4.1Å; H151-M172 HydrophobicContact CB-SD 4.28Å; H151-Q173 PolarHBondContact O-N 3.49Å
152	D	97.9	Very high	97.3	Very high	32 Å²	32	49 Å²	49	17%	0.171	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	124	175.4	-69.1	-48.9	0	0	0	110.1	P150 Y154 Q173 K175 I204	P150-D152 HydrophobicContact CB-CB 4.49Å; P150-D152 PolarHBondContact O-N 2.9Å; D152-Y154 HydrophobicContact CB-CD2 4.24Å; D152-Y154 HydrophobicContact CB-CE2 3.65Å; D152-Q173 CarbonylContact C-O 3.6Å; D152-Q173 WeakPolarHBondContact CA-O 3.35Å; D152-Q173 WeakPolarHBondContact OD1-CB 3.44Å; D152-K175 HydrophobicContact CB-CG 4.03Å; D152-K175 WeakPolarHBondContact OD1-CE 3.45Å; D152-I204 PolarHBondContact O-N 3.5Å; D152-I204 VanDerWaalsContact O-N 3.09Å
153	V	98.8	Very high	97.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.8	172.2	-179.9	0	0	0	0	108.2	L155 F167 M172 Q173 L174 K175 I204 V206	V153-L155 HydrophobicContact CG1-CD2 3.96Å; V153-F167 HydrophobicContact CG1-CD1 4.23Å; V153-F167 HydrophobicContact CG1-CD2 4.04Å; V153-F167 HydrophobicContact CG1-CE1 4.3Å; V153-F167 HydrophobicContact CG1-CE2 4.13Å; V153-F167 HydrophobicContact CG1-CG 4.11Å; V153-F167 HydrophobicContact CG1-CZ 4.26Å; V153-F167 HydrophobicContact CG2-CD1 4.04Å; V153-F167 HydrophobicContact CG2-CE1 4.47Å; V153-F167 HydrophobicContact CG2-CG 4.38Å; V153-M172 HydrophobicContact CG2-CB 3.83Å; V153-M172 HydrophobicContact CG2-CE 3.73Å; V153-M172 HydrophobicContact CG2-CG 4.14Å; V153-Q173 PolarHBondContact N-O 3.16Å; V153-L174 HydrophobicContact CB-CD2 4.21Å; V153-K175 PolarHBondContact O-N 2.77Å; V153-I204 WeakPolarHBondContact CA-O 3.47Å; V153-I204 HydrophobicContact CG1-CG2 4.4Å; V153-I204 HydrophobicContact CG2-CB 4.25Å; V153-I204 HydrophobicContact CG2-CD1 4.2Å; V153-I204 HydrophobicContact CG2-CG2 4.28Å; V153-V206 HydrophobicContact CG1-CG2 3.5Å
154	Y	98.9	Very high	97.3	Very high	28 Å²	28	50.2 Å²	50.2	11%	0.11	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	115.3	178.6	-74.5	-100.5	0	0	0	110	D152 K175 I199 P200 I204 V206	D152-Y154 HydrophobicContact CB-CD2 4.24Å; D152-Y154 HydrophobicContact CB-CE2 3.65Å; Y154-K175 WeakPolarHBondContact CA-O 3.34Å; Y154-K175 HydrophobicContact CD1-CB 3.47Å; Y154-K175 VanDerWaalsContact CD1-CB 3.47Å; Y154-K175 HydrophobicContact CD1-CG 4.45Å; Y154-K175 HydrophobicContact CD2-CB 4.1Å; Y154-K175 HydrophobicContact CE1-CB 3.37Å; Y154-K175 HydrophobicContact CE1-CG 3.96Å; Y154-K175 HydrophobicContact CE2-CB 4Å; Y154-K175 HydrophobicContact CE2-CG 4.01Å; Y154-K175 HydrophobicContact CG-CB 3.84Å; Y154-I199 HydrophobicContact CD1-CD1 3.71Å; Y154-I199 HydrophobicContact CD1-CG1 3.67Å; Y154-I199 HydrophobicContact CD1-CG2 4.48Å; Y154-I199 HydrophobicContact CD2-CD1 4.3Å; Y154-I199 HydrophobicContact CD2-CG1 4.4Å; Y154-I199 HydrophobicContact CD2-CG2 3.73Å; Y154-I199 HydrophobicContact CE1-CB 4.45Å; Y154-I199 HydrophobicContact CE1-CD1 4.31Å; Y154-I199 HydrophobicContact CE1-CG1 3.74Å; Y154-I199 HydrophobicContact CE1-CG2 4.35Å; Y154-I199 HydrophobicContact CE2-CG1 4.47Å; Y154-I199 HydrophobicContact CE2-CG2 3.6Å; Y154-I199 HydrophobicContact CG-CD1 3.71Å; Y154-I199 HydrophobicContact CG-CG1 4.02Å; Y154-I199 HydrophobicContact CG-CG2 4.19Å; Y154-P200 WeakPolarHBondContact OH-CD 3.2Å; Y154-I204 PolarHBondContact N-O 3.32Å; Y154-V206 PolarHBondContact O-N 3.47Å
155	L	98.9	Very high	97.2	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.052	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	148.5	176.8	-57.5	-179.2	0	0	0	110.9	V153 H163 F167 L174 K175 A176 Y177 V206	V153-L155 HydrophobicContact CG1-CD2 3.96Å; L155-H163 HydrophobicContact CD1-CB 3.81Å; L155-H163 HydrophobicContact CD2-CB 4.08Å; L155-F167 HydrophobicContact CD2-CD2 4.32Å; L155-F167 HydrophobicContact CD2-CE2 4.26Å; L155-L174 HydrophobicContact CD1-CD2 3.96Å; L155-L174 HydrophobicContact CG-CD2 4.35Å; L155-K175 PolarHBondContact N-O 2.87Å; L155-A176 CarbonylContact O-C 3.25Å; L155-A176 WeakPolarHBondContact O-CA 3.34Å; L155-Y177 VanDerWaalsContact C-CD1 3.49Å; L155-Y177 VanDerWaalsContact O-CD1 3.23Å; L155-Y177 WeakPolarHBondContact O-CD1 3.41Å; L155-Y177 PolarHBondContact O-N 2.8Å; L155-V206 HydrophobicContact CD2-CB 3.71Å; L155-V206 HydrophobicContact CD2-CG1 4.19Å; L155-V206 HydrophobicContact CD2-CG2 3.64Å
156	P	98.8	Very high	97.2	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	152.1	169.8	22.5	-27.3	0	0	0	110.3	P158 S159 Y177 Y179	P156-P158 CarbonylContact C-O 3.59Å; P156-P158 CarbonylContact O-C 3.59Å; P156-S159 WeakPolarHBondContact O-CB 3.49Å; P156-S159 PolarHBondContact O-N 3.07Å; P156-Y177 HydrophobicContact CB-CE1 4.18Å; P156-Y177 HydrophobicContact CB-CE2 4Å; P156-Y177 WeakPolarHBondContact CB-OH 3.19Å; P156-Y177 WeakPolarHBondContact CD-OH 3.48Å; P156-Y179 HydrophobicContact CB-CD1 4.31Å; P156-Y179 HydrophobicContact CB-CD2 3.69Å; P156-Y179 HydrophobicContact CB-CE2 4.39Å; P156-Y179 HydrophobicContact CB-CG 3.63Å
157	K	98.3	Very high	97.3	Very high	142 Å²	142	40.8 Å²	40.8	62%	0.617	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.2	175	-168.4	177.8	178.4	-176.5	0	111	A176 Y177 Y180	K157-A176 HydrophobicContact CB-CB 4.41Å; K157-Y177 WeakPolarHBondContact CB-O 3.29Å; K157-Y177 PolarHBondContact N-O 3.24Å; K157-Y180 PolarHBondContact O-N 3.24Å
158	P	97.6	Very high	97.3	Very high	42 Å²	42	46 Å²	46	27%	0.273	25%	0.253	S	S	.	.	S	Bend	cis	-74.2	178	-12.9	35.2	-35.2	0	0	0	111.7	P156 H212 P214 T215 F381	P156-P158 CarbonylContact C-O 3.59Å; P156-P158 CarbonylContact O-C 3.59Å; P158-H212 PolarHBondContact O-CE1 3.44Å; P158-H212 PolarHBondContact O-NE2 2.94Å; P158-H212 VanDerWaalsContact O-NE2 3.14Å; P158-P214 HydrophobicContact CB-CG 4.41Å; P158-P214 HydrophobicContact CG-CG 4.02Å; P158-T215 HydrophobicContact CG-CG2 3.72Å; P158-F381 HydrophobicContact CG-CE2 3.99Å; P158-F381 HydrophobicContact CG-CZ 4.18Å
159	S	98.1	Very high	97.4	Very high	21 Å²	21	43.5 Å²	43.5	15%	0.147	23%	0.234	C	C	.	.			trans	-138.2	-179	171.1	-172	0	0	0	0	109.4	P156 G161 H163 H208 N213	P156-S159 WeakPolarHBondContact O-CB 3.49Å; P156-S159 PolarHBondContact O-N 3.07Å; S159-G161 PolarHBondContact O-N 3.38Å; S159-H163 PolarHBondContact OG-ND1 2.87Å; S159-H208 PolarHBondContact OG-NE2 3.17Å; S159-N213 CarbonylContact C-O 2.96Å; S159-N213 VanDerWaalsContact C-O 3.25Å
160	W	96.3	Very high	97.6	Very high	58 Å²	58	43.4 Å²	43.4	22%	0.22	23%	0.232	C	C	.	.			trans	-61.8	123.7	175.2	178.7	47.2	0	0	0	109.7	T133 L136 N162 H163 I166 N213	T133-W160 HydrophobicContact CG2-CH2 4.48Å; L136-W160 HydrophobicContact CD1-CE3 4.25Å; L136-W160 HydrophobicContact CD1-CZ3 3.79Å; W160-N162 HydrophobicContact CD2-CB 3.79Å; W160-N162 HydrophobicContact CE3-CB 3.87Å; W160-N162 HydrophobicContact CH2-CB 3.52Å; W160-N162 VanDerWaalsContact CH2-ND2 3.3Å; W160-N162 WeakPolarHBondContact CH2-ND2 3.33Å; W160-N162 HydrophobicContact CZ2-CB 3.39Å; W160-N162 HydrophobicContact CZ3-CB 3.74Å; W160-N162 PolarHBondContact O-N 2.84Å; W160-H163 AromaticContact CE3-CD2 3.76Å; W160-H163 AromaticContact CE3-NE2 3.85Å; W160-H163 WeakPolarHBondContact O-CB 3.24Å; W160-H163 PolarHBondContact O-N 3.33Å; W160-I166 HydrophobicContact CH2-CD1 4.35Å; W160-I166 HydrophobicContact CZ3-CD1 3.82Å; W160-N213 HydrophobicContact CB-CB 4.45Å; W160-N213 VanDerWaalsContact CD1-ND2 3.26Å; W160-N213 PolarHBondContact N-O 2.83Å
161	G	92.5	Very high	97.6	Very high	58 Å²	58	43.6 Å²	43.6	60%	0.598	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-30.7	-171	0	0	0	0	0	114.4	S159 H163 T164 P165	S159-G161 PolarHBondContact O-N 3.38Å; G161-H163 VanDerWaalsContact C-N 3.34Å; G161-H163 PolarHBondContact O-N 3.35Å; G161-T164 PolarHBondContact O-N 3.47Å; G161-P165 VanDerWaalsContact O-CD 3.22Å; G161-P165 WeakPolarHBondContact O-CD 3.44Å
162	N	95.8	Very high	97.8	Very high	59 Å²	59	40.3 Å²	40.3	32%	0.316	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.6	-179.4	-156.2	35.7	0	0	0	114.1	W160 T164 P165 I166	W160-N162 HydrophobicContact CD2-CB 3.79Å; W160-N162 HydrophobicContact CE3-CB 3.87Å; W160-N162 HydrophobicContact CH2-CB 3.52Å; W160-N162 VanDerWaalsContact CH2-ND2 3.3Å; W160-N162 WeakPolarHBondContact CH2-ND2 3.33Å; W160-N162 HydrophobicContact CZ2-CB 3.39Å; W160-N162 HydrophobicContact CZ3-CB 3.74Å; W160-N162 PolarHBondContact O-N 2.84Å; N162-T164 PolarHBondContact O-N 2.94Å; N162-P165 WeakPolarHBondContact O-CD 3.46Å; N162-P165 WeakPolarHBondContact O-CG 3.45Å; N162-P165 VanDerWaalsContact OD1-CG 3.32Å; N162-P165 WeakPolarHBondContact OD1-CG 3.48Å; N162-I166 HydrophobicContact CB-CD1 4.39Å; N162-I166 WeakPolarHBondContact O-CB 3.41Å; N162-I166 VanDerWaalsContact O-CD1 3.24Å; N162-I166 WeakPolarHBondContact O-CD1 3.27Å; N162-I166 WeakPolarHBondContact O-CG1 3.36Å; N162-I166 PolarHBondContact O-N 3.47Å; N162-I166 VanDerWaalsContact O-N 3.12Å
163	H	98.6	Very high	97.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.5	-41.4	170.1	-75.8	155.4	0	0	0	111.4	L155 S159 W160 G161 I166 F167 H208 D241	L155-H163 HydrophobicContact CD1-CB 3.81Å; L155-H163 HydrophobicContact CD2-CB 4.08Å; S159-H163 PolarHBondContact OG-ND1 2.87Å; W160-H163 AromaticContact CE3-CD2 3.76Å; W160-H163 AromaticContact CE3-NE2 3.85Å; W160-H163 WeakPolarHBondContact O-CB 3.24Å; W160-H163 PolarHBondContact O-N 3.33Å; G161-H163 VanDerWaalsContact C-N 3.34Å; G161-H163 PolarHBondContact O-N 3.35Å; H163-I166 PolarHBondContact O-N 3.22Å; H163-F167 HydrophobicContact CB-CD2 4.37Å; H163-F167 HydrophobicContact CB-CE2 4.46Å; H163-F167 VanDerWaalsContact O-CD2 3.23Å; H163-F167 WeakPolarHBondContact O-CD2 3.48Å; H163-F167 PolarHBondContact O-N 2.67Å; H163-F167 VanDerWaalsContact O-N 3.07Å; H163-H208 AromaticContact CE1-CE1 3.82Å; H163-H208 AromaticContact CE1-NE2 3.38Å; H163-H208 PolarHBondContact CE1-NE2 3.49Å; H163-H208 AromaticContact ND1-NE2 3.74Å; H163-D241 IonicContact CE1-OD2 3.84Å; H163-D241 IonicContact NE2-OD2 2.81Å; H163-D241 PolarHBondContact NE2-OD2 3.25Å
164	T	97.4	Very high	97.8	Very high	63 Å²	63	46.8 Å²	46.8	39%	0.387	26%	0.257	S	S	.	.	H	α-helix	trans	-57.6	-62.1	-178.4	-62.2	0	0	0	0	112.1	G161 N162 I166 F167 R168 L174	G161-T164 PolarHBondContact O-N 3.47Å; N162-T164 PolarHBondContact O-N 2.94Å; T164-I166 VanDerWaalsContact C-N 3.32Å; T164-I166 PolarHBondContact O-N 3.14Å; T164-F167 PolarHBondContact O-N 3.06Å; T164-R168 WeakPolarHBondContact O-CB 3.09Å; T164-R168 PolarHBondContact O-N 2.8Å; T164-L174 VanDerWaalsContact CA-CD1 3.47Å; T164-L174 HydrophobicContact CG2-CD1 3.33Å; T164-L174 WeakPolarHBondContact O-CD1 3.46Å
165	P	97.7	Very high	97.7	Very high	31 Å²	31	50.1 Å²	50.1	20%	0.201	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-33.9	178.9	26.5	-36	0	0	0	112.9	G161 N162 F167 D169	G161-P165 VanDerWaalsContact O-CD 3.22Å; G161-P165 WeakPolarHBondContact O-CD 3.44Å; N162-P165 WeakPolarHBondContact O-CD 3.46Å; N162-P165 WeakPolarHBondContact O-CG 3.45Å; N162-P165 VanDerWaalsContact OD1-CG 3.32Å; N162-P165 WeakPolarHBondContact OD1-CG 3.48Å; P165-F167 PolarHBondContact O-N 2.84Å; P165-D169 WeakPolarHBondContact O-CB 3.36Å; P165-D169 PolarHBondContact O-N 3.48Å
166	I	98.6	Very high	97.7	Very high	9 Å²	9	52.5 Å²	52.5	5%	0.046	29%	0.294	C	S	.	.	H	α-helix	trans	-58.2	-52.1	178.2	-71.8	165.6	0	0	0	111.6	T133 L136 R137 W160 N162 H163 T164 A170	T133-I166 HydrophobicContact CG2-CD1 3.98Å; L136-I166 HydrophobicContact CB-CD1 4.11Å; L136-I166 HydrophobicContact CB-CG2 3.99Å; L136-I166 HydrophobicContact CD1-CD1 4.15Å; R137-I166 HydrophobicContact CB-CG2 4.26Å; W160-I166 HydrophobicContact CH2-CD1 4.35Å; W160-I166 HydrophobicContact CZ3-CD1 3.82Å; N162-I166 HydrophobicContact CB-CD1 4.39Å; N162-I166 WeakPolarHBondContact O-CB 3.41Å; N162-I166 VanDerWaalsContact O-CD1 3.24Å; N162-I166 WeakPolarHBondContact O-CD1 3.27Å; N162-I166 WeakPolarHBondContact O-CG1 3.36Å; N162-I166 PolarHBondContact O-N 3.47Å; N162-I166 VanDerWaalsContact O-N 3.12Å; H163-I166 PolarHBondContact O-N 3.22Å; T164-I166 VanDerWaalsContact C-N 3.32Å; T164-I166 PolarHBondContact O-N 3.14Å; I166-A170 WeakPolarHBondContact O-CB 3.32Å; I166-A170 PolarHBondContact O-N 3.44Å
167	F	98.7	Very high	97.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-75.9	-38.5	-177.1	-75	-66.9	0	0	0	112	L136 V153 L155 H163 T164 P165 D169 A170 G171 M172 L174 V206 F239	L136-F167 HydrophobicContact CD2-CE2 4.49Å; L136-F167 HydrophobicContact CD2-CZ 4.27Å; V153-F167 HydrophobicContact CG1-CD1 4.23Å; V153-F167 HydrophobicContact CG1-CD2 4.04Å; V153-F167 HydrophobicContact CG1-CE1 4.3Å; V153-F167 HydrophobicContact CG1-CE2 4.13Å; V153-F167 HydrophobicContact CG1-CG 4.11Å; V153-F167 HydrophobicContact CG1-CZ 4.26Å; V153-F167 HydrophobicContact CG2-CD1 4.04Å; V153-F167 HydrophobicContact CG2-CE1 4.47Å; V153-F167 HydrophobicContact CG2-CG 4.38Å; L155-F167 HydrophobicContact CD2-CD2 4.32Å; L155-F167 HydrophobicContact CD2-CE2 4.26Å; H163-F167 HydrophobicContact CB-CD2 4.37Å; H163-F167 HydrophobicContact CB-CE2 4.46Å; H163-F167 VanDerWaalsContact O-CD2 3.23Å; H163-F167 WeakPolarHBondContact O-CD2 3.48Å; H163-F167 PolarHBondContact O-N 2.67Å; H163-F167 VanDerWaalsContact O-N 3.07Å; T164-F167 PolarHBondContact O-N 3.06Å; P165-F167 PolarHBondContact O-N 2.84Å; F167-D169 PolarHBondContact O-N 3.33Å; F167-A170 WeakPolarHBondContact O-CB 3.45Å; F167-A170 PolarHBondContact O-N 2.85Å; F167-G171 PolarHBondContact O-N 3.45Å; F167-M172 HydrophobicContact CB-CB 4.21Å; F167-M172 HydrophobicContact CD1-CG 4.4Å; F167-M172 WeakPolarHBondContact O-CB 3.34Å; F167-M172 PolarHBondContact O-N 3.3Å; F167-L174 HydrophobicContact CB-CD2 3.74Å; F167-V206 HydrophobicContact CE2-CG2 3.84Å; F167-V206 HydrophobicContact CZ-CG2 3.85Å; F167-F239 HydrophobicContact CE1-CD2 4.16Å; F167-F239 HydrophobicContact CE1-CE2 4.04Å; F167-F239 HydrophobicContact CZ-CD2 4.09Å; F167-F239 HydrophobicContact CZ-CE2 4.07Å
168	R	98.4	Very high	97.7	Very high	139 Å²	139	50.2 Å²	50.2	53%	0.525	28%	0.281	S	S	.	.	H	α-helix	trans	-58.7	-48.2	174	-179.2	-164.6	65.6	-155.8	-4.4	111.4	T164 A170 G171	T164-R168 WeakPolarHBondContact O-CB 3.09Å; T164-R168 PolarHBondContact O-N 2.8Å; R168-A170 PolarHBondContact O-N 2.92Å; R168-G171 WeakPolarHBondContact O-CA 3.23Å; R168-G171 PolarHBondContact O-N 3.19Å
169	D	98.1	Very high	97.8	Very high	84 Å²	84	48.4 Å²	48.4	45%	0.449	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.9	-178	-57.6	-6.3	0	0	0	112.2	R137 P165 F167	R137-D169 PolarHBondContact NH2-O 2.96Å; R137-D169 VanDerWaalsContact NH2-O 3.1Å; P165-D169 WeakPolarHBondContact O-CB 3.36Å; P165-D169 PolarHBondContact O-N 3.48Å; F167-D169 PolarHBondContact O-N 3.33Å
170	A	98.1	Very high	97.8	Very high	13 Å²	13	49 Å²	49	11%	0.107	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-6.9	164.4	0	0	0	0	0	113	N141 A144 I166 F167 R168 M172	N141-A170 WeakPolarHBondContact OD1-CB 3.44Å; A144-A170 WeakPolarHBondContact CB-O 3.23Å; I166-A170 WeakPolarHBondContact O-CB 3.32Å; I166-A170 PolarHBondContact O-N 3.44Å; F167-A170 WeakPolarHBondContact O-CB 3.45Å; F167-A170 PolarHBondContact O-N 2.85Å; R168-A170 PolarHBondContact O-N 2.92Å; A170-M172 HydrophobicContact CB-CG 4.5Å
171	G	97.4	Very high	97.9	Very high	48 Å²	48	48 Å²	48	50%	0.495	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	14.4	-179.1	0	0	0	0	0	114.8	F167 R168	F167-G171 PolarHBondContact O-N 3.45Å; R168-G171 WeakPolarHBondContact O-CA 3.23Å; R168-G171 PolarHBondContact O-N 3.19Å
172	M	98.3	Very high	98.1	Very high	5 Å²	5	50 Å²	50	3%	0.025	27%	0.269	C	S	.	.			trans	-91.1	156.1	179	-53.9	-60.6	-74.4	0	0	111.9	L143 A144 H151 V153 F167 A170 I204	L143-M172 HydrophobicContact CB-CE 4.17Å; A144-M172 VanDerWaalsContact CA-SD 3.53Å; A144-M172 HydrophobicContact CB-CG 4.46Å; A144-M172 HydrophobicContact CB-SD 3.65Å; H151-M172 HydrophobicContact CB-CE 4.1Å; H151-M172 HydrophobicContact CB-SD 4.28Å; V153-M172 HydrophobicContact CG2-CB 3.83Å; V153-M172 HydrophobicContact CG2-CE 3.73Å; V153-M172 HydrophobicContact CG2-CG 4.14Å; F167-M172 HydrophobicContact CB-CB 4.21Å; F167-M172 HydrophobicContact CD1-CG 4.4Å; F167-M172 WeakPolarHBondContact O-CB 3.34Å; F167-M172 PolarHBondContact O-N 3.3Å; A170-M172 HydrophobicContact CB-CG 4.5Å; M172-I204 HydrophobicContact CE-CD1 3.33Å
173	Q	98	Very high	98	Very high	116 Å²	116	52 Å²	52	54%	0.542	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	142.3	172.8	-61.3	-56.7	-46	0	0	110.2	H151 D152 V153	H151-Q173 PolarHBondContact O-N 3.49Å; D152-Q173 CarbonylContact C-O 3.6Å; D152-Q173 WeakPolarHBondContact CA-O 3.35Å; D152-Q173 WeakPolarHBondContact OD1-CB 3.44Å; V153-Q173 PolarHBondContact N-O 3.16Å
174	L	98.4	Very high	97.9	Very high	52 Å²	52	56 Å²	56	27%	0.272	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.8	-177.7	-64.5	176.5	0	0	0	111.3	V153 L155 T164 F167	V153-L174 HydrophobicContact CB-CD2 4.21Å; L155-L174 HydrophobicContact CD1-CD2 3.96Å; L155-L174 HydrophobicContact CG-CD2 4.35Å; T164-L174 VanDerWaalsContact CA-CD1 3.47Å; T164-L174 HydrophobicContact CG2-CD1 3.33Å; T164-L174 WeakPolarHBondContact O-CD1 3.46Å; F167-L174 HydrophobicContact CB-CD2 3.74Å
175	K	98.6	Very high	97.9	Very high	99 Å²	99	53.8 Å²	53.8	43%	0.43	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	171.1	170.4	-56.5	-64.4	179.5	-175.8	0	108.5	D152 V153 Y154 L155	D152-K175 HydrophobicContact CB-CG 4.03Å; D152-K175 WeakPolarHBondContact OD1-CE 3.45Å; V153-K175 PolarHBondContact O-N 2.77Å; Y154-K175 WeakPolarHBondContact CA-O 3.34Å; Y154-K175 HydrophobicContact CD1-CB 3.47Å; Y154-K175 VanDerWaalsContact CD1-CB 3.47Å; Y154-K175 HydrophobicContact CD1-CG 4.45Å; Y154-K175 HydrophobicContact CD2-CB 4.1Å; Y154-K175 HydrophobicContact CE1-CB 3.37Å; Y154-K175 HydrophobicContact CE1-CG 3.96Å; Y154-K175 HydrophobicContact CE2-CB 4Å; Y154-K175 HydrophobicContact CE2-CG 4.01Å; Y154-K175 HydrophobicContact CG-CB 3.84Å; L155-K175 PolarHBondContact N-O 2.87Å
176	A	98.5	Very high	97.9	Very high	60 Å²	60	53.2 Å²	53.2	50%	0.496	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.1	178.7	0	0	0	0	0	111.3	L155 K157	L155-A176 CarbonylContact O-C 3.25Å; L155-A176 WeakPolarHBondContact O-CA 3.34Å; K157-A176 HydrophobicContact CB-CB 4.41Å
177	Y	98.8	Very high	97.9	Very high	5 Å²	5	54.3 Å²	54.3	2%	0.02	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	149.9	166.9	62.8	-84	0	0	0	109.6	L155 P156 K157 Y179 I196 I205 V206 L207	L155-Y177 VanDerWaalsContact C-CD1 3.49Å; L155-Y177 VanDerWaalsContact O-CD1 3.23Å; L155-Y177 WeakPolarHBondContact O-CD1 3.41Å; L155-Y177 PolarHBondContact O-N 2.8Å; P156-Y177 HydrophobicContact CB-CE1 4.18Å; P156-Y177 HydrophobicContact CB-CE2 4Å; P156-Y177 WeakPolarHBondContact CB-OH 3.19Å; P156-Y177 WeakPolarHBondContact CD-OH 3.48Å; K157-Y177 WeakPolarHBondContact CB-O 3.29Å; K157-Y177 PolarHBondContact N-O 3.24Å; Y177-Y179 HydrophobicContact CE2-CD2 4.02Å; Y177-I196 HydrophobicContact CD2-CD1 4.15Å; Y177-I196 HydrophobicContact CD2-CG1 4.13Å; Y177-I196 HydrophobicContact CE2-CD1 4.32Å; Y177-I196 HydrophobicContact CG-CG1 4.36Å; Y177-I205 HydrophobicContact CD1-CD1 4.38Å; Y177-I205 HydrophobicContact CD1-CG1 4.4Å; Y177-I205 HydrophobicContact CE1-CD1 4.04Å; Y177-I205 HydrophobicContact CE1-CG1 3.84Å; Y177-V206 PolarHBondContact OH-O 3.05Å; Y177-L207 WeakPolarHBondContact OH-CD2 3.3Å
178	R	98.8	Very high	97.9	Very high	92 Å²	92	56.3 Å²	56.3	35%	0.347	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	140.9	175.6	-78	173.4	-73.8	162.7	0.3	110.9	G191 A192 D195	R178-G191 PolarHBondContact NE-O 3.48Å; R178-G191 VanDerWaalsContact NH1-CA 3.31Å; R178-G191 PolarHBondContact NH2-O 3.37Å; R178-A192 WeakPolarHBondContact O-CA 3.41Å; R178-A192 VanDerWaalsContact O-CB 3.22Å; R178-A192 WeakPolarHBondContact O-CB 3.4Å; R178-D195 WeakPolarHBondContact CB-OD2 3.43Å; R178-D195 VanDerWaalsContact CG-OD2 3.26Å; R178-D195 WeakPolarHBondContact CG-OD2 3.47Å; R178-D195 IonicContact CZ-OD1 3.68Å; R178-D195 IonicContact CZ-OD2 3.71Å; R178-D195 PolarHBondContact N-OD2 2.99Å; R178-D195 VanDerWaalsContact NE-CG 3.32Å; R178-D195 IonicContact NE-OD1 2.82Å; R178-D195 PolarHBondContact NE-OD1 3.24Å; R178-D195 VanDerWaalsContact NE-OD1 3.17Å; R178-D195 IonicContact NE-OD2 2.99Å; R178-D195 PolarHBondContact NE-OD2 3.42Å; R178-D195 IonicContact NH2-OD1 3.53Å; R178-D195 PolarHBondContact NH2-OD1 3.46Å; R178-D195 IonicContact NH2-OD2 3.69Å
179	Y	98.9	Very high	97.9	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.02	30%	0.299	C	S	.	.			trans	-147.8	-62.5	-177.4	-172.7	-90	0	0	0	111.3	P156 Y177 F187 D188 H212 V217 P219	P156-Y179 HydrophobicContact CB-CD1 4.31Å; P156-Y179 HydrophobicContact CB-CD2 3.69Å; P156-Y179 HydrophobicContact CB-CE2 4.39Å; P156-Y179 HydrophobicContact CB-CG 3.63Å; Y177-Y179 HydrophobicContact CE2-CD2 4.02Å; Y179-F187 HydrophobicContact CD1-CD2 4.4Å; Y179-F187 AromaticContact CD2-CD2 3.98Å; Y179-F187 HydrophobicContact CD2-CD2 3.98Å; Y179-F187 AromaticContact CD2-CE2 3.44Å; Y179-F187 HydrophobicContact CD2-CE2 3.44Å; Y179-F187 VanDerWaalsContact CD2-CE2 3.44Å; Y179-F187 HydrophobicContact CD2-CZ 4.46Å; Y179-F187 HydrophobicContact CE1-CD2 4.44Å; Y179-F187 HydrophobicContact CE2-CD2 4.03Å; Y179-F187 AromaticContact CE2-CE2 3.62Å; Y179-F187 HydrophobicContact CE2-CE2 3.62Å; Y179-F187 HydrophobicContact CE2-CZ 4.47Å; Y179-F187 HydrophobicContact CG-CD2 4.17Å; Y179-F187 AromaticContact CG-CE2 4Å; Y179-F187 HydrophobicContact CG-CE2 4Å; Y179-F187 CarbonylContact O-C 3.58Å; Y179-F187 WeakPolarHBondContact O-CA 3.49Å; Y179-F187 WeakPolarHBondContact O-CD2 3.36Å; Y179-D188 PolarHBondContact O-N 3.34Å; Y179-H212 AromaticContact CD1-CE1 3.88Å; Y179-H212 AromaticContact CD1-NE2 3.99Å; Y179-H212 HydrophobicContact CE1-CB 3.97Å; Y179-H212 AromaticContact CE1-CD2 3.56Å; Y179-H212 AromaticContact CE1-CE1 3.76Å; Y179-H212 AromaticContact CE1-CG 3.41Å; Y179-H212 VanDerWaalsContact CE1-CG 3.41Å; Y179-H212 AromaticContact CE1-ND1 3.55Å; Y179-H212 AromaticContact CE1-NE2 3.81Å; Y179-H212 AromaticContact CZ-CD2 3.68Å; Y179-H212 AromaticContact CZ-CG 3.78Å; Y179-H212 WeakPolarHBondContact OH-CB 3.33Å; Y179-V217 HydrophobicContact CE1-CB 4.38Å; Y179-V217 HydrophobicContact CE1-CG1 4.43Å; Y179-V217 WeakPolarHBondContact CE1-O 3.4Å; Y179-V217 PolarHBondContact OH-O 3.06Å; Y179-P219 HydrophobicContact CE2-CG 4.4Å
180	Y	98.6	Very high	97.9	Very high	33 Å²	33	55.2 Å²	55.2	13%	0.129	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.9	179.8	176.5	-106.7	0	0	0	111.1	K157 P182 C185 T215 V217 F381	K157-Y180 PolarHBondContact O-N 3.24Å; Y180-P182 HydrophobicContact CD1-CB 4.45Å; Y180-P182 HydrophobicContact CE1-CB 3.96Å; Y180-P182 WeakPolarHBondContact O-CD 3.42Å; Y180-C185 HydrophobicContact CE2-CB 4.25Å; Y180-C185 PolarHBondContact OH-SG 3.2Å; Y180-T215 HydrophobicContact CD2-CG2 3.84Å; Y180-T215 HydrophobicContact CE2-CG2 4.45Å; Y180-T215 HydrophobicContact CG-CG2 3.98Å; Y180-V217 HydrophobicContact CD2-CG2 3.99Å; Y180-V217 HydrophobicContact CE2-CG2 4.25Å; Y180-F381 HydrophobicContact CD1-CD2 4.26Å; Y180-F381 AromaticContact CE1-CD2 3.81Å; Y180-F381 HydrophobicContact CE1-CD2 3.81Å; Y180-F381 HydrophobicContact CE1-CE2 4.37Å; Y180-F381 HydrophobicContact CE2-CB 4.13Å; Y180-F381 HydrophobicContact CE2-CD2 4.11Å; Y180-F381 AromaticContact CZ-CD2 3.73Å
181	D	98.1	Very high	98	Very high	36 Å²	36	54.6 Å²	54.6	19%	0.193	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	109	170.9	177.2	5.6	0	0	0	109.8	S183 T184 C185 G186 D188	D181-S183 VanDerWaalsContact CG-OG 3.23Å; D181-S183 PolarHBondContact O-N 3.11Å; D181-S183 WeakPolarHBondContact OD1-CB 3.49Å; D181-S183 PolarHBondContact OD1-N 2.91Å; D181-S183 PolarHBondContact OD1-OG 3.4Å; D181-S183 PolarHBondContact OD2-OG 3.1Å; D181-S183 VanDerWaalsContact OD2-OG 3.06Å; D181-T184 WeakPolarHBondContact CB-OG1 3.29Å; D181-T184 PolarHBondContact O-N 2.84Å; D181-T184 VanDerWaalsContact OD2-CG2 3.27Å; D181-T184 WeakPolarHBondContact OD2-CG2 3.42Å; D181-T184 PolarHBondContact OD2-OG1 2.72Å; D181-C185 VanDerWaalsContact O-CA 3.29Å; D181-C185 WeakPolarHBondContact O-CA 3.1Å; D181-C185 PolarHBondContact O-N 2.95Å; D181-G186 PolarHBondContact N-O 2.93Å; D181-G186 PolarHBondContact O-N 3.35Å; D181-D188 HydrophobicContact CB-CB 4.02Å
182	P	95.8	Very high	98	Very high	100 Å²	100	52.3 Å²	52.3	65%	0.649	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.4	179.9	29.9	-35.7	0	0	0	113.7	Y180	Y180-P182 HydrophobicContact CD1-CB 4.45Å; Y180-P182 HydrophobicContact CE1-CB 3.96Å; Y180-P182 WeakPolarHBondContact O-CD 3.42Å
183	S	95	Very high	98.1	Very high	102 Å²	102	53 Å²	53	71%	0.713	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-28.7	178.2	73.9	0	0	0	0	112.8	D181	D181-S183 VanDerWaalsContact CG-OG 3.23Å; D181-S183 PolarHBondContact O-N 3.11Å; D181-S183 WeakPolarHBondContact OD1-CB 3.49Å; D181-S183 PolarHBondContact OD1-N 2.91Å; D181-S183 PolarHBondContact OD1-OG 3.4Å; D181-S183 PolarHBondContact OD2-OG 3.1Å; D181-S183 VanDerWaalsContact OD2-OG 3.06Å
184	T	95.6	Very high	98.1	Very high	85 Å²	85	50.4 Å²	50.4	52%	0.521	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-9.4	179.7	58.4	0	0	0	0	113.2	D181 G186	D181-T184 WeakPolarHBondContact CB-OG1 3.29Å; D181-T184 PolarHBondContact O-N 2.84Å; D181-T184 VanDerWaalsContact OD2-CG2 3.27Å; D181-T184 WeakPolarHBondContact OD2-CG2 3.42Å; D181-T184 PolarHBondContact OD2-OG1 2.72Å; T184-G186 PolarHBondContact O-N 2.9Å; T184-G186 VanDerWaalsContact O-N 3.16Å; T184-G186 PolarHBondContact OG1-N 2.74Å
185	C	97.4	Very high	98.1	Very high	15 Å²	15	50 Å²	50	10%	0.101	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	23.4	-167.1	-65.6	0	0	0	0	113.6	Y180 D181 V217 H371 Q375	Y180-C185 HydrophobicContact CE2-CB 4.25Å; Y180-C185 PolarHBondContact OH-SG 3.2Å; D181-C185 VanDerWaalsContact O-CA 3.29Å; D181-C185 WeakPolarHBondContact O-CA 3.1Å; D181-C185 PolarHBondContact O-N 2.95Å; C185-V217 WeakPolarHBondContact O-CG2 3.07Å; C185-H371 HydrophobicContact CB-CB 3.55Å; C185-H371 VanDerWaalsContact CB-CD2 3.48Å; C185-H371 WeakPolarHBondContact CB-CD2 3.16Å; C185-H371 VanDerWaalsContact CB-CG 3.46Å; C185-Q375 PolarHBondContact O-NE2 2.81Å
186	G	98	Very high	98.1	Very high	20 Å²	20	45.3 Å²	45.3	21%	0.206	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	-161.2	-175.1	0	0	0	0	0	113.2	D181 T184 V217	D181-G186 PolarHBondContact N-O 2.93Å; D181-G186 PolarHBondContact O-N 3.35Å; T184-G186 PolarHBondContact O-N 2.9Å; T184-G186 VanDerWaalsContact O-N 3.16Å; T184-G186 PolarHBondContact OG1-N 2.74Å; G186-V217 VanDerWaalsContact C-CG1 3.47Å
187	F	98.6	Very high	98.1	Very high	31 Å²	31	44.7 Å²	44.7	14%	0.136	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118	-178.5	-175.1	-136.2	0	0	0	110.6	Y179 F189 A192 V217 P219 Q223 I227	Y179-F187 HydrophobicContact CD1-CD2 4.4Å; Y179-F187 AromaticContact CD2-CD2 3.98Å; Y179-F187 HydrophobicContact CD2-CD2 3.98Å; Y179-F187 AromaticContact CD2-CE2 3.44Å; Y179-F187 HydrophobicContact CD2-CE2 3.44Å; Y179-F187 VanDerWaalsContact CD2-CE2 3.44Å; Y179-F187 HydrophobicContact CD2-CZ 4.46Å; Y179-F187 HydrophobicContact CE1-CD2 4.44Å; Y179-F187 HydrophobicContact CE2-CD2 4.03Å; Y179-F187 AromaticContact CE2-CE2 3.62Å; Y179-F187 HydrophobicContact CE2-CE2 3.62Å; Y179-F187 HydrophobicContact CE2-CZ 4.47Å; Y179-F187 HydrophobicContact CG-CD2 4.17Å; Y179-F187 AromaticContact CG-CE2 4Å; Y179-F187 HydrophobicContact CG-CE2 4Å; Y179-F187 CarbonylContact O-C 3.58Å; Y179-F187 WeakPolarHBondContact O-CA 3.49Å; Y179-F187 WeakPolarHBondContact O-CD2 3.36Å; F187-F189 HydrophobicContact CD1-CB 3.87Å; F187-F189 HydrophobicContact CD1-CD2 4.19Å; F187-F189 HydrophobicContact CD1-CG 4.44Å; F187-F189 HydrophobicContact CE1-CB 3.98Å; F187-F189 AromaticContact CE1-CD2 3.53Å; F187-F189 HydrophobicContact CE1-CD2 3.53Å; F187-F189 HydrophobicContact CE1-CE2 4.46Å; F187-F189 HydrophobicContact CE1-CG 4.2Å; F187-F189 HydrophobicContact CZ-CD2 4.32Å; F187-F189 PolarHBondContact O-N 3.06Å; F187-A192 HydrophobicContact CE2-CB 3.91Å; F187-A192 HydrophobicContact CZ-CB 3.73Å; F187-V217 HydrophobicContact CB-CG1 3.51Å; F187-V217 HydrophobicContact CG-CG1 4.4Å; F187-V217 VanDerWaalsContact N-CG1 3.33Å; F187-P219 HydrophobicContact CD1-CB 4.04Å; F187-P219 HydrophobicContact CD1-CG 4.13Å; F187-P219 HydrophobicContact CE1-CB 3.7Å; F187-P219 HydrophobicContact CE1-CG 3.69Å; F187-P219 HydrophobicContact CE2-CG 4.23Å; F187-P219 HydrophobicContact CZ-CB 4.29Å; F187-P219 HydrophobicContact CZ-CG 3.79Å; F187-Q223 HydrophobicContact CE1-CB 4.46Å; F187-I227 HydrophobicContact CE1-CD1 4.31Å; F187-I227 HydrophobicContact CZ-CD1 4.08Å
188	D	98.7	Very high	98.1	Very high	42 Å²	42	51.3 Å²	51.3	23%	0.225	27%	0.273	C	S	.	.			trans	-71.8	72.2	169.7	-176.1	5.5	0	0	0	109.8	Y179 D181 K190 G191 A192	Y179-D188 PolarHBondContact O-N 3.34Å; D181-D188 HydrophobicContact CB-CB 4.02Å; D188-K190 PolarHBondContact O-N 3.29Å; D188-G191 PolarHBondContact O-N 3.39Å; D188-G191 WeakPolarHBondContact OD1-CA 3.44Å; D188-G191 PolarHBondContact OD1-N 3.36Å; D188-A192 WeakPolarHBondContact O-CB 3.22Å; D188-A192 PolarHBondContact O-N 3.11Å
189	F	98.6	Very high	98.1	Very high	45 Å²	45	47.1 Å²	47.1	20%	0.197	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-46.3	-173.9	178.9	-131.8	0	0	0	112.2	F187 A192 L193 Q223 E226	F187-F189 HydrophobicContact CD1-CB 3.87Å; F187-F189 HydrophobicContact CD1-CD2 4.19Å; F187-F189 HydrophobicContact CD1-CG 4.44Å; F187-F189 HydrophobicContact CE1-CB 3.98Å; F187-F189 AromaticContact CE1-CD2 3.53Å; F187-F189 HydrophobicContact CE1-CD2 3.53Å; F187-F189 HydrophobicContact CE1-CE2 4.46Å; F187-F189 HydrophobicContact CE1-CG 4.2Å; F187-F189 HydrophobicContact CZ-CD2 4.32Å; F187-F189 PolarHBondContact O-N 3.06Å; F189-A192 PolarHBondContact O-N 3.45Å; F189-L193 HydrophobicContact CD2-CD1 4.23Å; F189-L193 HydrophobicContact CD2-CD2 4.38Å; F189-L193 HydrophobicContact CD2-CG 4Å; F189-L193 HydrophobicContact CE1-CD1 3.95Å; F189-L193 HydrophobicContact CE2-CD1 3.61Å; F189-L193 HydrophobicContact CE2-CD2 3.78Å; F189-L193 HydrophobicContact CE2-CG 3.66Å; F189-L193 HydrophobicContact CZ-CD1 3.46Å; F189-L193 VanDerWaalsContact CZ-CD1 3.46Å; F189-L193 HydrophobicContact CZ-CD2 4.38Å; F189-L193 HydrophobicContact CZ-CG 4.07Å; F189-L193 WeakPolarHBondContact O-CG 3.48Å; F189-L193 PolarHBondContact O-N 3.39Å; F189-Q223 HydrophobicContact CD1-CG 4.13Å; F189-Q223 HydrophobicContact CD2-CB 3.85Å; F189-Q223 HydrophobicContact CD2-CG 3.83Å; F189-Q223 HydrophobicContact CE1-CG 4Å; F189-Q223 HydrophobicContact CE2-CB 3.45Å; F189-Q223 VanDerWaalsContact CE2-CB 3.45Å; F189-Q223 HydrophobicContact CE2-CG 3.66Å; F189-Q223 HydrophobicContact CG-CG 4.03Å; F189-Q223 HydrophobicContact CZ-CB 3.87Å; F189-Q223 HydrophobicContact CZ-CG 3.73Å; F189-E226 HydrophobicContact CE2-CB 4.42Å; F189-E226 HydrophobicContact CZ-CB 4Å; F189-E226 HydrophobicContact CZ-CG 4.26Å; F189-E226 WeakPolarHBondContact CZ-OE2 3.36Å
190	K	98.6	Very high	98.1	Very high	155 Å²	155	49.5 Å²	49.5	67%	0.674	27%	0.274	S	S	*	.	H	α-helix	trans	-63.4	-47	179.7	-176.2	-179.7	177.4	-178	0	110.7	D188 A192 L193 D194	D188-K190 PolarHBondContact O-N 3.29Å; K190-A192 VanDerWaalsContact C-N 3.33Å; K190-A192 PolarHBondContact O-N 2.98Å; K190-L193 PolarHBondContact O-N 2.81Å; K190-D194 WeakPolarHBondContact O-CB 3.23Å; K190-D194 VanDerWaalsContact O-CG 3.26Å; K190-D194 PolarHBondContact O-N 3.31Å
191	G	98.8	Very high	98.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-38.2	178	0	0	0	0	0	113	R178 D188 D195	R178-G191 PolarHBondContact NE-O 3.48Å; R178-G191 VanDerWaalsContact NH1-CA 3.31Å; R178-G191 PolarHBondContact NH2-O 3.37Å; D188-G191 PolarHBondContact O-N 3.39Å; D188-G191 WeakPolarHBondContact OD1-CA 3.44Å; D188-G191 PolarHBondContact OD1-N 3.36Å; G191-D195 WeakPolarHBondContact O-CB 3.44Å; G191-D195 VanDerWaalsContact O-CG 3.3Å; G191-D195 PolarHBondContact O-N 2.95Å
192	A	98.8	Very high	98.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-51.8	174.4	0	0	0	0	0	111.5	R178 F187 D188 F189 K190 D194 D195 I196	R178-A192 WeakPolarHBondContact O-CA 3.41Å; R178-A192 VanDerWaalsContact O-CB 3.22Å; R178-A192 WeakPolarHBondContact O-CB 3.4Å; F187-A192 HydrophobicContact CE2-CB 3.91Å; F187-A192 HydrophobicContact CZ-CB 3.73Å; D188-A192 WeakPolarHBondContact O-CB 3.22Å; D188-A192 PolarHBondContact O-N 3.11Å; F189-A192 PolarHBondContact O-N 3.45Å; K190-A192 VanDerWaalsContact C-N 3.33Å; K190-A192 PolarHBondContact O-N 2.98Å; A192-D194 PolarHBondContact O-N 2.77Å; A192-D195 PolarHBondContact O-N 2.93Å; A192-I196 HydrophobicContact CB-CD1 4.49Å; A192-I196 WeakPolarHBondContact O-CB 3.49Å; A192-I196 WeakPolarHBondContact O-CD1 3.3Å; A192-I196 WeakPolarHBondContact O-CG1 3.48Å; A192-I196 PolarHBondContact O-N 3.38Å
193	L	98.8	Very high	98.2	Very high	21 Å²	21	52 Å²	52	11%	0.11	28%	0.275	C	S	.	.	H	α-helix	trans	-62.6	-41.8	178.4	-65.3	-172.4	0	0	0	112.1	F189 K190 D195 I196 S197 E226 I227 I230	F189-L193 HydrophobicContact CD2-CD1 4.23Å; F189-L193 HydrophobicContact CD2-CD2 4.38Å; F189-L193 HydrophobicContact CD2-CG 4Å; F189-L193 HydrophobicContact CE1-CD1 3.95Å; F189-L193 HydrophobicContact CE2-CD1 3.61Å; F189-L193 HydrophobicContact CE2-CD2 3.78Å; F189-L193 HydrophobicContact CE2-CG 3.66Å; F189-L193 HydrophobicContact CZ-CD1 3.46Å; F189-L193 VanDerWaalsContact CZ-CD1 3.46Å; F189-L193 HydrophobicContact CZ-CD2 4.38Å; F189-L193 HydrophobicContact CZ-CG 4.07Å; F189-L193 WeakPolarHBondContact O-CG 3.48Å; F189-L193 PolarHBondContact O-N 3.39Å; K190-L193 PolarHBondContact O-N 2.81Å; L193-D195 VanDerWaalsContact C-N 3.3Å; L193-D195 PolarHBondContact O-N 2.82Å; L193-I196 PolarHBondContact O-N 2.87Å; L193-S197 WeakPolarHBondContact O-CB 3.37Å; L193-S197 PolarHBondContact O-N 3.48Å; L193-S197 PolarHBondContact O-OG 3.26Å; L193-E226 HydrophobicContact CD1-CB 4.26Å; L193-E226 WeakPolarHBondContact CD1-OE2 3.37Å; L193-E226 HydrophobicContact CD2-CB 4.32Å; L193-I227 HydrophobicContact CD2-CG1 3.74Å; L193-I230 HydrophobicContact CB-CD1 3.88Å; L193-I230 HydrophobicContact CD1-CD1 4.39Å; L193-I230 HydrophobicContact CD2-CD1 3.69Å; L193-I230 HydrophobicContact CG-CD1 4.18Å
194	D	98.8	Very high	98.4	Very high	61 Å²	61	47.1 Å²	47.1	33%	0.326	24%	0.241	S	C	.	.	H	α-helix	trans	-58.9	-41.5	176.7	-80.1	-11.8	0	0	0	111.9	K190 A192 S197 K198	K190-D194 WeakPolarHBondContact O-CB 3.23Å; K190-D194 VanDerWaalsContact O-CG 3.26Å; K190-D194 PolarHBondContact O-N 3.31Å; A192-D194 PolarHBondContact O-N 2.77Å; D194-S197 PolarHBondContact O-OG 2.69Å; D194-K198 WeakPolarHBondContact O-CD 3.15Å; D194-K198 WeakPolarHBondContact O-CE 3.33Å; D194-K198 WeakPolarHBondContact O-CG 3.21Å
195	D	98.9	Very high	98.5	Very high	42 Å²	42	43.1 Å²	43.1	23%	0.225	22%	0.216	C	C	.	.	H	α-helix	trans	-74.6	-47.8	178.9	-72	-6.1	0	0	0	111.4	R178 G191 A192 L193 S197 K198 I199	R178-D195 WeakPolarHBondContact CB-OD2 3.43Å; R178-D195 VanDerWaalsContact CG-OD2 3.26Å; R178-D195 WeakPolarHBondContact CG-OD2 3.47Å; R178-D195 IonicContact CZ-OD1 3.68Å; R178-D195 IonicContact CZ-OD2 3.71Å; R178-D195 PolarHBondContact N-OD2 2.99Å; R178-D195 VanDerWaalsContact NE-CG 3.32Å; R178-D195 IonicContact NE-OD1 2.82Å; R178-D195 PolarHBondContact NE-OD1 3.24Å; R178-D195 VanDerWaalsContact NE-OD1 3.17Å; R178-D195 IonicContact NE-OD2 2.99Å; R178-D195 PolarHBondContact NE-OD2 3.42Å; R178-D195 IonicContact NH2-OD1 3.53Å; R178-D195 PolarHBondContact NH2-OD1 3.46Å; R178-D195 IonicContact NH2-OD2 3.69Å; G191-D195 WeakPolarHBondContact O-CB 3.44Å; G191-D195 VanDerWaalsContact O-CG 3.3Å; G191-D195 PolarHBondContact O-N 2.95Å; A192-D195 PolarHBondContact O-N 2.93Å; L193-D195 VanDerWaalsContact C-N 3.3Å; L193-D195 PolarHBondContact O-N 2.82Å; D195-S197 VanDerWaalsContact C-N 3.25Å; D195-S197 PolarHBondContact O-N 2.91Å; D195-K198 PolarHBondContact O-N 3.23Å; D195-I199 PolarHBondContact O-N 2.87Å; D195-I199 VanDerWaalsContact O-N 3.17Å
196	I	98.9	Very high	98.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-39.7	-179.6	-65.1	166.5	0	0	0	110.4	Y177 A192 L193 K198 I199 I205 I227 I230 V231 L236	Y177-I196 HydrophobicContact CD2-CD1 4.15Å; Y177-I196 HydrophobicContact CD2-CG1 4.13Å; Y177-I196 HydrophobicContact CE2-CD1 4.32Å; Y177-I196 HydrophobicContact CG-CG1 4.36Å; A192-I196 HydrophobicContact CB-CD1 4.49Å; A192-I196 WeakPolarHBondContact O-CB 3.49Å; A192-I196 WeakPolarHBondContact O-CD1 3.3Å; A192-I196 WeakPolarHBondContact O-CG1 3.48Å; A192-I196 PolarHBondContact O-N 3.38Å; L193-I196 PolarHBondContact O-N 2.87Å; I196-K198 PolarHBondContact O-N 3.18Å; I196-K198 VanDerWaalsContact O-N 3.08Å; I196-I199 HydrophobicContact CB-CD1 4.39Å; I196-I199 HydrophobicContact CG1-CD1 4.27Å; I196-I199 HydrophobicContact CG2-CD1 4.49Å; I196-I199 PolarHBondContact O-N 3.49Å; I196-I205 HydrophobicContact CD1-CD1 4.06Å; I196-I205 HydrophobicContact CG1-CD1 3.89Å; I196-I205 HydrophobicContact CG2-CD1 4.28Å; I196-I227 HydrophobicContact CD1-CG2 4.2Å; I196-I230 HydrophobicContact CB-CG2 4.46Å; I196-I230 HydrophobicContact CG2-CB 4.44Å; I196-I230 HydrophobicContact CG2-CG2 3.83Å; I196-V231 HydrophobicContact CG2-CG2 4.02Å; I196-L236 HydrophobicContact CG2-CD1 4.17Å
197	S	98.7	Very high	98.7	Very high	48 Å²	48	41.6 Å²	41.6	34%	0.336	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-10.3	176.9	74.2	0	0	0	0	114.4	L193 D194 D195 R234	L193-S197 WeakPolarHBondContact O-CB 3.37Å; L193-S197 PolarHBondContact O-N 3.48Å; L193-S197 PolarHBondContact O-OG 3.26Å; D194-S197 PolarHBondContact O-OG 2.69Å; D195-S197 VanDerWaalsContact C-N 3.25Å; D195-S197 PolarHBondContact O-N 2.91Å; S197-R234 PolarHBondContact O-NH1 2.99Å
198	K	98.6	Very high	98.7	Very high	144 Å²	144	40.3 Å²	40.3	63%	0.626	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-9.3	179	-64.2	169.5	-168.8	163.7	0	114	D194 D195 I196 R234	D194-K198 WeakPolarHBondContact O-CD 3.15Å; D194-K198 WeakPolarHBondContact O-CE 3.33Å; D194-K198 WeakPolarHBondContact O-CG 3.21Å; D195-K198 PolarHBondContact O-N 3.23Å; I196-K198 PolarHBondContact O-N 3.18Å; I196-K198 VanDerWaalsContact O-N 3.08Å; K198-R234 VanDerWaalsContact C-NH1 3.29Å
199	I	98.8	Very high	98.7	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	19%	0.188	C	C	.	.	S	Bend	trans	-55.5	129.2	174.3	-68.7	178.5	0	0	0	109.5	Y154 D195 I196 I205 R234 L236	Y154-I199 HydrophobicContact CD1-CD1 3.71Å; Y154-I199 HydrophobicContact CD1-CG1 3.67Å; Y154-I199 HydrophobicContact CD1-CG2 4.48Å; Y154-I199 HydrophobicContact CD2-CD1 4.3Å; Y154-I199 HydrophobicContact CD2-CG1 4.4Å; Y154-I199 HydrophobicContact CD2-CG2 3.73Å; Y154-I199 HydrophobicContact CE1-CB 4.45Å; Y154-I199 HydrophobicContact CE1-CD1 4.31Å; Y154-I199 HydrophobicContact CE1-CG1 3.74Å; Y154-I199 HydrophobicContact CE1-CG2 4.35Å; Y154-I199 HydrophobicContact CE2-CG1 4.47Å; Y154-I199 HydrophobicContact CE2-CG2 3.6Å; Y154-I199 HydrophobicContact CG-CD1 3.71Å; Y154-I199 HydrophobicContact CG-CG1 4.02Å; Y154-I199 HydrophobicContact CG-CG2 4.19Å; D195-I199 PolarHBondContact O-N 2.87Å; D195-I199 VanDerWaalsContact O-N 3.17Å; I196-I199 HydrophobicContact CB-CD1 4.39Å; I196-I199 HydrophobicContact CG1-CD1 4.27Å; I196-I199 HydrophobicContact CG2-CD1 4.49Å; I196-I199 PolarHBondContact O-N 3.49Å; I199-I205 HydrophobicContact CD1-CD1 4.12Å; I199-R234 PolarHBondContact O-NH1 2.84Å; I199-R234 PolarHBondContact O-NH2 3.49Å; I199-L236 HydrophobicContact CB-CD1 4.04Å; I199-L236 HydrophobicContact CB-CD2 4.27Å; I199-L236 HydrophobicContact CD1-CD1 4.16Å; I199-L236 HydrophobicContact CG2-CD1 3.91Å; I199-L236 HydrophobicContact CG2-CD2 3.62Å; I199-L236 HydrophobicContact CG2-CG 4.42Å
200	P	98.3	Very high	98.7	Very high	54 Å²	54	36.8 Å²	36.8	35%	0.351	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-52.5	144.2	178.9	-26.1	35.3	0	0	0	112.8	Y154 S203 L236	Y154-P200 WeakPolarHBondContact OH-CD 3.2Å; P200-S203 VanDerWaalsContact O-CB 3.25Å; P200-S203 WeakPolarHBondContact O-CB 3.42Å; P200-S203 PolarHBondContact O-N 3.1Å; P200-S203 PolarHBondContact O-OG 3.38Å; P200-S203 VanDerWaalsContact O-OG 3.12Å; P200-L236 WeakPolarHBondContact O-CD2 3.24Å
201	E	98.2	Very high	98.7	Very high	112 Å²	112	29.5 Å²	29.5	52%	0.523	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	149.4	-178.8	-60.3	-171.9	171.9	0	0	111.2	S203 R234	E201-S203 PolarHBondContact O-N 3.12Å; E201-S203 VanDerWaalsContact O-N 3.1Å; E201-R234 VanDerWaalsContact CA-O 3.26Å; E201-R234 WeakPolarHBondContact CA-O 3.09Å; E201-R234 WeakPolarHBondContact CB-O 3.37Å; E201-R234 WeakPolarHBondContact CG-O 3.35Å
202	K	97.7	Very high	98.7	Very high	110 Å²	110	29.6 Å²	29.6	48%	0.478	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	-2.2	-175.3	-51.8	177	179.7	176.4	0	115.2	H147 N235	H147-K202 PolarHBondContact CE1-O 3.34Å; H147-K202 PolarHBondContact NE2-O 3.23Å; K202-N235 WeakPolarHBondContact CA-O 3.21Å; K202-N235 PolarHBondContact N-O 3.38Å
203	S	98.7	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.			trans	-60.6	163.6	169.7	-68.4	0	0	0	0	111.8	P200 E201 L236 L237	P200-S203 VanDerWaalsContact O-CB 3.25Å; P200-S203 WeakPolarHBondContact O-CB 3.42Å; P200-S203 PolarHBondContact O-N 3.1Å; P200-S203 PolarHBondContact O-OG 3.38Å; P200-S203 VanDerWaalsContact O-OG 3.12Å; E201-S203 PolarHBondContact O-N 3.12Å; E201-S203 VanDerWaalsContact O-N 3.1Å; S203-L236 WeakPolarHBondContact O-CA 3.4Å; S203-L237 PolarHBondContact O-N 3.34Å
204	I	98.9	Very high	98.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.9	179.9	-61.6	147.6	0	0	0	109.2	L143 D152 V153 Y154 M172 L237 F239	L143-I204 HydrophobicContact CB-CD1 4.18Å; L143-I204 HydrophobicContact CD1-CD1 3.91Å; L143-I204 HydrophobicContact CD1-CG1 4.31Å; L143-I204 HydrophobicContact CD1-CG2 4.14Å; L143-I204 HydrophobicContact CG-CD1 4.44Å; D152-I204 PolarHBondContact O-N 3.5Å; D152-I204 VanDerWaalsContact O-N 3.09Å; V153-I204 WeakPolarHBondContact CA-O 3.47Å; V153-I204 HydrophobicContact CG1-CG2 4.4Å; V153-I204 HydrophobicContact CG2-CB 4.25Å; V153-I204 HydrophobicContact CG2-CD1 4.2Å; V153-I204 HydrophobicContact CG2-CG2 4.28Å; Y154-I204 PolarHBondContact N-O 3.32Å; M172-I204 HydrophobicContact CE-CD1 3.33Å; I204-L237 WeakPolarHBondContact CA-O 3.45Å; I204-L237 HydrophobicContact CG1-CB 4.27Å; I204-L237 HydrophobicContact CG1-CD2 4.25Å; I204-F239 HydrophobicContact CG2-CB 4.24Å
205	I	98.9	Very high	98.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.7	172.1	-174.6	170.6	0	0	0	110	Y177 I196 I199 L207 V231 L236 L237 V238 F239	Y177-I205 HydrophobicContact CD1-CD1 4.38Å; Y177-I205 HydrophobicContact CD1-CG1 4.4Å; Y177-I205 HydrophobicContact CE1-CD1 4.04Å; Y177-I205 HydrophobicContact CE1-CG1 3.84Å; I196-I205 HydrophobicContact CD1-CD1 4.06Å; I196-I205 HydrophobicContact CG1-CD1 3.89Å; I196-I205 HydrophobicContact CG2-CD1 4.28Å; I199-I205 HydrophobicContact CD1-CD1 4.12Å; I205-L207 HydrophobicContact CD1-CD2 3.92Å; I205-L207 HydrophobicContact CG1-CD2 4.02Å; I205-L207 HydrophobicContact CG1-CG 4.36Å; I205-V231 HydrophobicContact CG2-CG2 4.43Å; I205-L236 HydrophobicContact CG2-CB 4.16Å; I205-L236 HydrophobicContact CG2-CD1 4.36Å; I205-L237 PolarHBondContact N-O 3.19Å; I205-V238 HydrophobicContact CG2-CG2 4.09Å; I205-F239 PolarHBondContact O-N 3.07Å
206	V	98.9	Very high	98.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.6	172.7	178.8	0	0	0	0	109.2	V153 Y154 L155 F167 Y177 F239	V153-V206 HydrophobicContact CG1-CG2 3.5Å; Y154-V206 PolarHBondContact O-N 3.47Å; L155-V206 HydrophobicContact CD2-CB 3.71Å; L155-V206 HydrophobicContact CD2-CG1 4.19Å; L155-V206 HydrophobicContact CD2-CG2 3.64Å; F167-V206 HydrophobicContact CE2-CG2 3.84Å; F167-V206 HydrophobicContact CZ-CG2 3.85Å; Y177-V206 PolarHBondContact OH-O 3.05Å; V206-F239 CarbonylContact C-O 3.43Å; V206-F239 VanDerWaalsContact CA-O 3.28Å; V206-F239 WeakPolarHBondContact CA-O 3.49Å; V206-F239 HydrophobicContact CG2-CB 4.15Å
207	L	98.9	Very high	98.4	Very high	3 Å²	3	25 Å²	25	2%	0.016	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.3	177.1	-61.2	176.9	0	0	0	108.9	Y177 I205 W224 V238 F239 F240 D241 F262	Y177-L207 WeakPolarHBondContact OH-CD2 3.3Å; I205-L207 HydrophobicContact CD1-CD2 3.92Å; I205-L207 HydrophobicContact CG1-CD2 4.02Å; I205-L207 HydrophobicContact CG1-CG 4.36Å; L207-W224 HydrophobicContact CB-CH2 4.32Å; L207-W224 HydrophobicContact CB-CZ3 4.44Å; L207-W224 HydrophobicContact CD1-CZ3 3.99Å; L207-W224 HydrophobicContact CD2-CZ3 4.17Å; L207-W224 HydrophobicContact CG-CZ3 4.44Å; L207-V238 HydrophobicContact CD1-CG1 3.63Å; L207-V238 HydrophobicContact CG-CG1 4.24Å; L207-F239 PolarHBondContact N-O 2.89Å; L207-F240 HydrophobicContact CB-CD1 3.73Å; L207-F240 HydrophobicContact CB-CE1 3.63Å; L207-F240 HydrophobicContact CB-CZ 4.36Å; L207-F240 HydrophobicContact CD1-CE1 3.95Å; L207-F240 HydrophobicContact CD1-CZ 3.87Å; L207-F240 HydrophobicContact CG-CE1 4.45Å; L207-F240 CarbonylContact O-C 3.6Å; L207-F240 VanDerWaalsContact O-CA 3.29Å; L207-F240 WeakPolarHBondContact O-CA 3.38Å; L207-D241 PolarHBondContact O-N 3.48Å; L207-F262 HydrophobicContact CD1-CE1 3.72Å; L207-F262 HydrophobicContact CD1-CZ 3.73Å
208	H	98.9	Very high	98.4	Very high	5 Å²	5	24 Å²	24	2%	0.023	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	125.5	167.3	-68.4	-133.2	0	0	0	107.2	S159 H163 C210 H212 N213 D241	S159-H208 PolarHBondContact OG-NE2 3.17Å; H163-H208 AromaticContact CE1-CE1 3.82Å; H163-H208 AromaticContact CE1-NE2 3.38Å; H163-H208 PolarHBondContact CE1-NE2 3.49Å; H163-H208 AromaticContact ND1-NE2 3.74Å; H208-C210 VanDerWaalsContact C-N 3.29Å; H208-C210 PolarHBondContact O-N 3.24Å; H208-H212 AromaticContact CD2-CD2 3.71Å; H208-H212 AromaticContact CE1-CD2 3.84Å; H208-H212 AromaticContact CG-CD2 3.54Å; H208-H212 AromaticContact ND1-CD2 3.64Å; H208-H212 AromaticContact NE2-CD2 3.9Å; H208-H212 AromaticContact NE2-NE2 3.93Å; H208-N213 PolarHBondContact CE1-O 3.17Å; H208-N213 VanDerWaalsContact CE1-O 3.29Å; H208-N213 PolarHBondContact ND1-N 3.38Å; H208-D241 WeakPolarHBondContact CA-O 3.47Å
209	A	98.8	Very high	98.4	Very high	4 Å²	4	17.5 Å²	17.5	3%	0.033	9%	0.09	C	C	.	.	S	Bend	trans	-63.1	-38.6	-175.6	0	0	0	0	0	112.4	F240 D241 M242 V259	A209-F240 HydrophobicContact CB-CD1 4.08Å; A209-D241 PolarHBondContact N-O 3.21Å; A209-M242 HydrophobicContact CB-CB 3.65Å; A209-M242 HydrophobicContact CB-CG 3.65Å; A209-M242 HydrophobicContact CB-SD 3.91Å; A209-V259 HydrophobicContact CB-CG2 3.86Å
210	C	98.6	Very high	98.4	Very high	8 Å²	8	24.6 Å²	24.6	5%	0.054	12%	0.117	C	C	.	.	S	Bend	trans	-167.1	169.5	175.5	56.4	0	0	0	0	109.7	H208 D218 A248 D255	H208-C210 VanDerWaalsContact C-N 3.29Å; H208-C210 PolarHBondContact O-N 3.24Å; C210-D218 WeakPolarHBondContact CA-OD2 3.44Å; C210-A248 HydrophobicContact CB-CB 4.2Å; C210-D255 PolarHBondContact SG-O 3.43Å; C210-D255 VanDerWaalsContact SG-O 3.36Å
211	A	98.2	Very high	98.4	Very high	3 Å²	3	24.8 Å²	24.8	3%	0.025	12%	0.118	C	C	.	.	S	Bend	trans	46	62.6	-177.4	0	0	0	0	0	112.1	N213 D218 Y244 A248	A211-N213 PolarHBondContact O-N 2.96Å; A211-D218 VanDerWaalsContact N-CG 3.3Å; A211-D218 PolarHBondContact N-OD1 3.47Å; A211-D218 VanDerWaalsContact N-OD1 3.11Å; A211-D218 PolarHBondContact N-OD2 3.48Å; A211-Y244 HydrophobicContact CB-CD2 3.88Å; A211-Y244 HydrophobicContact CB-CG 3.89Å; A211-Y244 WeakPolarHBondContact O-CD2 3.29Å; A211-A248 HydrophobicContact CB-CB 3.63Å
212	H	98.8	Very high	98.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.117	C	C	.	.			trans	-48.1	131.9	-178	-179.7	-99.2	0	0	0	111.9	P158 Y179 H208 T215 G216 V217 D218	P158-H212 PolarHBondContact O-CE1 3.44Å; P158-H212 PolarHBondContact O-NE2 2.94Å; P158-H212 VanDerWaalsContact O-NE2 3.14Å; Y179-H212 AromaticContact CD1-CE1 3.88Å; Y179-H212 AromaticContact CD1-NE2 3.99Å; Y179-H212 HydrophobicContact CE1-CB 3.97Å; Y179-H212 AromaticContact CE1-CD2 3.56Å; Y179-H212 AromaticContact CE1-CE1 3.76Å; Y179-H212 AromaticContact CE1-CG 3.41Å; Y179-H212 VanDerWaalsContact CE1-CG 3.41Å; Y179-H212 AromaticContact CE1-ND1 3.55Å; Y179-H212 AromaticContact CE1-NE2 3.81Å; Y179-H212 AromaticContact CZ-CD2 3.68Å; Y179-H212 AromaticContact CZ-CG 3.78Å; Y179-H212 WeakPolarHBondContact OH-CB 3.33Å; H208-H212 AromaticContact CD2-CD2 3.71Å; H208-H212 AromaticContact CE1-CD2 3.84Å; H208-H212 AromaticContact CG-CD2 3.54Å; H208-H212 AromaticContact ND1-CD2 3.64Å; H208-H212 AromaticContact NE2-CD2 3.9Å; H208-H212 AromaticContact NE2-NE2 3.93Å; H212-T215 PolarHBondContact ND1-OG1 2.9Å; H212-T215 PolarHBondContact O-N 2.98Å; H212-G216 WeakPolarHBondContact O-CA 3.27Å; H212-G216 PolarHBondContact O-N 3.33Å; H212-V217 WeakPolarHBondContact CB-O 3.48Å; H212-D218 PolarHBondContact N-OD1 3.29Å
213	N	97.6	Very high	98.5	Very high	13 Å²	13	20 Å²	20	7%	0.07	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	117.4	177.9	176.8	-0	0	0	0	107.4	S159 W160 H208 A211 Y244 F379	S159-N213 CarbonylContact C-O 2.96Å; S159-N213 VanDerWaalsContact C-O 3.25Å; W160-N213 HydrophobicContact CB-CB 4.45Å; W160-N213 VanDerWaalsContact CD1-ND2 3.26Å; W160-N213 PolarHBondContact N-O 2.83Å; H208-N213 PolarHBondContact CE1-O 3.17Å; H208-N213 VanDerWaalsContact CE1-O 3.29Å; H208-N213 PolarHBondContact ND1-N 3.38Å; A211-N213 PolarHBondContact O-N 2.96Å; N213-Y244 HydrophobicContact CB-CE2 4.34Å; N213-Y244 PolarHBondContact ND2-OH 3.22Å; N213-F379 HydrophobicContact CB-CD2 4.09Å; N213-F379 HydrophobicContact CB-CE2 4.31Å
214	P	96.9	Very high	98.5	Very high	8 Å²	8	20.5 Å²	20.5	5%	0.052	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	cis	-103.5	-3.2	22.4	38.7	-39.5	0	0	0	117	P158 F379 F381 R405	P158-P214 HydrophobicContact CB-CG 4.41Å; P158-P214 HydrophobicContact CG-CG 4.02Å; P214-F379 WeakPolarHBondContact O-CB 3.3Å; P214-F381 HydrophobicContact CB-CD1 4.12Å; P214-F381 HydrophobicContact CB-CE1 3.48Å; P214-F381 VanDerWaalsContact CB-CE1 3.48Å; P214-F381 HydrophobicContact CB-CZ 4.17Å; P214-F381 HydrophobicContact CG-CD1 4.17Å; P214-F381 HydrophobicContact CG-CE1 3.33Å; P214-F381 HydrophobicContact CG-CE2 4.44Å; P214-F381 HydrophobicContact CG-CZ 3.49Å; P214-F381 VanDerWaalsContact CG-CZ 3.49Å; P214-F381 WeakPolarHBondContact O-CD1 3.29Å; P214-R405 VanDerWaalsContact CB-CD 3.5Å; P214-R405 HydrophobicContact CB-CG 3.95Å; P214-R405 WeakPolarHBondContact O-CG 3.44Å
215	T	98.3	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-25.3	-161.5	69.2	0	0	0	0	115.2	P158 Y180 H212 V217 Q375 F381	P158-T215 HydrophobicContact CG-CG2 3.72Å; Y180-T215 HydrophobicContact CD2-CG2 3.84Å; Y180-T215 HydrophobicContact CE2-CG2 4.45Å; Y180-T215 HydrophobicContact CG-CG2 3.98Å; H212-T215 PolarHBondContact ND1-OG1 2.9Å; H212-T215 PolarHBondContact O-N 2.98Å; T215-V217 PolarHBondContact O-N 2.84Å; T215-V217 WeakPolarHBondContact OG1-CB 2.95Å; T215-V217 PolarHBondContact OG1-N 3.41Å; T215-V217 VanDerWaalsContact OG1-N 3.09Å; T215-Q375 WeakPolarHBondContact O-CG 3.49Å; T215-Q375 PolarHBondContact O-NE2 3.11Å; T215-Q375 PolarHBondContact O-OE1 3.4Å; T215-F381 HydrophobicContact CG2-CB 4.42Å; T215-F381 HydrophobicContact CG2-CD1 4.29Å; T215-F381 HydrophobicContact CG2-CD2 3.69Å; T215-F381 HydrophobicContact CG2-CE2 3.97Å; T215-F381 HydrophobicContact CG2-CG 3.87Å; T215-F381 HydrophobicContact CG2-CZ 4.41Å; T215-F381 PolarHBondContact O-N 3.34Å
216	G	98.1	Very high	98.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.139	C	C	.	.			trans	71.2	-0.1	-167.2	0	0	0	0	0	114.2	H212 Q375 I376 F379	H212-G216 WeakPolarHBondContact O-CA 3.27Å; H212-G216 PolarHBondContact O-N 3.33Å; G216-Q375 CarbonylContact O-C 3.56Å; G216-Q375 WeakPolarHBondContact O-CA 3.41Å; G216-I376 WeakPolarHBondContact CA-O 3.32Å; G216-I376 PolarHBondContact O-N 3.43Å; G216-F379 WeakPolarHBondContact CA-O 3.48Å
217	V	98.5	Very high	98.5	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.042	14%	0.14	C	C	.	.			trans	-79.4	125.2	179	172.4	0	0	0	0	109	Y179 Y180 C185 G186 F187 H212 T215 Q375	Y179-V217 HydrophobicContact CE1-CB 4.38Å; Y179-V217 HydrophobicContact CE1-CG1 4.43Å; Y179-V217 WeakPolarHBondContact CE1-O 3.4Å; Y179-V217 PolarHBondContact OH-O 3.06Å; Y180-V217 HydrophobicContact CD2-CG2 3.99Å; Y180-V217 HydrophobicContact CE2-CG2 4.25Å; C185-V217 WeakPolarHBondContact O-CG2 3.07Å; G186-V217 VanDerWaalsContact C-CG1 3.47Å; F187-V217 HydrophobicContact CB-CG1 3.51Å; F187-V217 HydrophobicContact CG-CG1 4.4Å; F187-V217 VanDerWaalsContact N-CG1 3.33Å; H212-V217 WeakPolarHBondContact CB-O 3.48Å; T215-V217 PolarHBondContact O-N 2.84Å; T215-V217 WeakPolarHBondContact OG1-CB 2.95Å; T215-V217 PolarHBondContact OG1-N 3.41Å; T215-V217 VanDerWaalsContact OG1-N 3.09Å; V217-Q375 HydrophobicContact CG2-CG 3.79Å
218	D	98.4	Very high	98.5	Very high	28 Å²	28	29.3 Å²	29.3	15%	0.15	14%	0.139	C	C	.	.			trans	-122.3	143.5	176.7	-72.1	-7.5	0	0	0	111.3	C210 A211 H212 I376	C210-D218 WeakPolarHBondContact CA-OD2 3.44Å; A211-D218 VanDerWaalsContact N-CG 3.3Å; A211-D218 PolarHBondContact N-OD1 3.47Å; A211-D218 VanDerWaalsContact N-OD1 3.11Å; A211-D218 PolarHBondContact N-OD2 3.48Å; H212-D218 PolarHBondContact N-OD1 3.29Å; D218-I376 HydrophobicContact CB-CD1 4.16Å
219	P	98.5	Very high	98.5	Very high	8 Å²	8	33.7 Å²	33.7	5%	0.052	16%	0.163	C	C	.	.			trans	-63.6	144.5	168.6	-17.4	30.3	0	0	0	111.4	Y179 F187 Q223 W224 I227	Y179-P219 HydrophobicContact CE2-CG 4.4Å; F187-P219 HydrophobicContact CD1-CB 4.04Å; F187-P219 HydrophobicContact CD1-CG 4.13Å; F187-P219 HydrophobicContact CE1-CB 3.7Å; F187-P219 HydrophobicContact CE1-CG 3.69Å; F187-P219 HydrophobicContact CE2-CG 4.23Å; F187-P219 HydrophobicContact CZ-CB 4.29Å; F187-P219 HydrophobicContact CZ-CG 3.79Å; P219-Q223 HydrophobicContact CB-CB 4Å; P219-W224 HydrophobicContact CB-CD2 3.99Å; P219-W224 HydrophobicContact CB-CG 4.16Å; P219-W224 HydrophobicContact CB-CZ2 4.25Å; P219-W224 HydrophobicContact CG-CD2 4.17Å; P219-W224 HydrophobicContact CG-CH2 4.02Å; P219-W224 HydrophobicContact CG-CZ2 3.65Å; P219-W224 HydrophobicContact CG-CZ3 4.41Å; P219-W224 VanDerWaalsContact O-CD1 3.25Å; P219-W224 PolarHBondContact O-NE1 3.42Å; P219-I227 HydrophobicContact CB-CD1 4.24Å; P219-I227 HydrophobicContact CG-CD1 4.16Å
220	R	98.3	Very high	98.4	Very high	152 Å²	152	35.2 Å²	35.2	57%	0.574	17%	0.17	S	C	*	.			trans	-74.4	161.9	171.6	-66	-170.1	-58.4	-81.3	-2.3	111.5	E222 Q223 W224	R220-E222 PolarHBondContact O-N 3.18Å; R220-E222 VanDerWaalsContact O-N 3.16Å; R220-Q223 HydrophobicContact CB-CG 4.46Å; R220-Q223 WeakPolarHBondContact O-CA 3.45Å; R220-Q223 WeakPolarHBondContact O-CB 3.34Å; R220-Q223 PolarHBondContact O-N 3.49Å; R220-W224 PolarHBondContact O-N 3.09Å
221	P	98.4	Very high	98.4	Very high	59 Å²	59	34.9 Å²	34.9	38%	0.383	17%	0.167	S	C	.	.	H	α-helix	trans	-52.3	-38.7	179.6	-28.9	37.1	0	0	0	114.4	W224 K225 W257	P221-W224 PolarHBondContact O-N 3.32Å; P221-K225 WeakPolarHBondContact O-CG 3.06Å; P221-K225 PolarHBondContact O-N 2.77Å; P221-K225 VanDerWaalsContact O-N 3.1Å; P221-W257 HydrophobicContact CB-CE3 4.33Å; P221-W257 HydrophobicContact CB-CH2 3.82Å; P221-W257 HydrophobicContact CB-CZ2 4.16Å; P221-W257 HydrophobicContact CB-CZ3 3.92Å; P221-W257 WeakPolarHBondContact O-CH2 3.42Å
222	E	98.5	Very high	98.5	Very high	105 Å²	105	40.1 Å²	40.1	49%	0.491	19%	0.19	S	C	.	.	H	α-helix	trans	-66.1	-39.7	178	-60.5	68.5	-144.3	0	0	111.4	R220 K225 E226	R220-E222 PolarHBondContact O-N 3.18Å; R220-E222 VanDerWaalsContact O-N 3.16Å; E222-K225 WeakPolarHBondContact O-CB 3.32Å; E222-K225 PolarHBondContact O-N 3.1Å; E222-E226 PolarHBondContact O-N 3.3Å
223	Q	98.8	Very high	98.4	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.07	23%	0.226	C	C	.	.	H	α-helix	trans	-69.9	-38.2	177.6	-63.5	176.2	-47.5	0	0	111.3	F187 F189 P219 R220 K225 E226 I227	F187-Q223 HydrophobicContact CE1-CB 4.46Å; F189-Q223 HydrophobicContact CD1-CG 4.13Å; F189-Q223 HydrophobicContact CD2-CB 3.85Å; F189-Q223 HydrophobicContact CD2-CG 3.83Å; F189-Q223 HydrophobicContact CE1-CG 4Å; F189-Q223 HydrophobicContact CE2-CB 3.45Å; F189-Q223 VanDerWaalsContact CE2-CB 3.45Å; F189-Q223 HydrophobicContact CE2-CG 3.66Å; F189-Q223 HydrophobicContact CG-CG 4.03Å; F189-Q223 HydrophobicContact CZ-CB 3.87Å; F189-Q223 HydrophobicContact CZ-CG 3.73Å; P219-Q223 HydrophobicContact CB-CB 4Å; R220-Q223 HydrophobicContact CB-CG 4.46Å; R220-Q223 WeakPolarHBondContact O-CA 3.45Å; R220-Q223 WeakPolarHBondContact O-CB 3.34Å; R220-Q223 PolarHBondContact O-N 3.49Å; Q223-K225 VanDerWaalsContact C-N 3.32Å; Q223-K225 PolarHBondContact O-N 2.8Å; Q223-E226 PolarHBondContact O-N 3.39Å; Q223-I227 VanDerWaalsContact O-CG1 3.28Å; Q223-I227 WeakPolarHBondContact O-CG1 3.23Å; Q223-I227 PolarHBondContact O-N 2.79Å
224	W	98.9	Very high	98.4	Very high	12 Å²	12	50 Å²	50	5%	0.045	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-36.1	173.9	-83	124.6	0	0	0	113.2	L207 P219 R220 P221 I227 S228 W257 A258 F262	L207-W224 HydrophobicContact CB-CH2 4.32Å; L207-W224 HydrophobicContact CB-CZ3 4.44Å; L207-W224 HydrophobicContact CD1-CZ3 3.99Å; L207-W224 HydrophobicContact CD2-CZ3 4.17Å; L207-W224 HydrophobicContact CG-CZ3 4.44Å; P219-W224 HydrophobicContact CB-CD2 3.99Å; P219-W224 HydrophobicContact CB-CG 4.16Å; P219-W224 HydrophobicContact CB-CZ2 4.25Å; P219-W224 HydrophobicContact CG-CD2 4.17Å; P219-W224 HydrophobicContact CG-CH2 4.02Å; P219-W224 HydrophobicContact CG-CZ2 3.65Å; P219-W224 HydrophobicContact CG-CZ3 4.41Å; P219-W224 VanDerWaalsContact O-CD1 3.25Å; P219-W224 PolarHBondContact O-NE1 3.42Å; R220-W224 PolarHBondContact O-N 3.09Å; P221-W224 PolarHBondContact O-N 3.32Å; W224-I227 HydrophobicContact CE3-CB 4.35Å; W224-I227 HydrophobicContact CE3-CD1 3.87Å; W224-I227 HydrophobicContact CE3-CG2 4.39Å; W224-I227 HydrophobicContact CZ3-CD1 4.09Å; W224-I227 HydrophobicContact CZ3-CG2 4.41Å; W224-I227 PolarHBondContact O-N 3.32Å; W224-S228 WeakPolarHBondContact O-CB 3.37Å; W224-S228 PolarHBondContact O-N 2.73Å; W224-W257 HydrophobicContact CB-CH2 4.42Å; W224-W257 HydrophobicContact CB-CZ3 3.66Å; W224-W257 HydrophobicContact CG-CZ3 4.24Å; W224-A258 HydrophobicContact CD2-CB 3.86Å; W224-A258 HydrophobicContact CE3-CB 4.41Å; W224-A258 HydrophobicContact CG-CB 4.05Å; W224-A258 HydrophobicContact CZ2-CB 4.29Å; W224-F262 AromaticContact CE3-CE2 4Å; W224-F262 HydrophobicContact CE3-CE2 4Å; W224-F262 HydrophobicContact CE3-CZ 4.25Å
225	K	98.9	Very high	98.5	Very high	94 Å²	94	54.1 Å²	54.1	41%	0.409	25%	0.252	S	S	.	.	H	α-helix	trans	-60.2	-49	173.5	-70	170.4	-176.7	176.3	0	110.8	P221 E222 Q223 I227 S228 D229 W257	P221-K225 WeakPolarHBondContact O-CG 3.06Å; P221-K225 PolarHBondContact O-N 2.77Å; P221-K225 VanDerWaalsContact O-N 3.1Å; E222-K225 WeakPolarHBondContact O-CB 3.32Å; E222-K225 PolarHBondContact O-N 3.1Å; Q223-K225 VanDerWaalsContact C-N 3.32Å; Q223-K225 PolarHBondContact O-N 2.8Å; K225-I227 PolarHBondContact O-N 3.21Å; K225-S228 WeakPolarHBondContact O-CB 3.38Å; K225-S228 PolarHBondContact O-N 3.03Å; K225-S228 VanDerWaalsContact O-N 3.17Å; K225-D229 PolarHBondContact O-N 3.28Å; K225-W257 HydrophobicContact CG-CH2 4.12Å
226	E	98.8	Very high	98.5	Very high	90 Å²	90	54.6 Å²	54.6	42%	0.421	26%	0.255	S	S	.	.	H	α-helix	trans	-63.3	-40.1	178	-67.8	-174	-128.3	0	0	112.4	F189 L193 E222 Q223 D229 I230	F189-E226 HydrophobicContact CE2-CB 4.42Å; F189-E226 HydrophobicContact CZ-CB 4Å; F189-E226 HydrophobicContact CZ-CG 4.26Å; F189-E226 WeakPolarHBondContact CZ-OE2 3.36Å; L193-E226 HydrophobicContact CD1-CB 4.26Å; L193-E226 WeakPolarHBondContact CD1-OE2 3.37Å; L193-E226 HydrophobicContact CD2-CB 4.32Å; E222-E226 PolarHBondContact O-N 3.3Å; Q223-E226 PolarHBondContact O-N 3.39Å; E226-D229 PolarHBondContact O-N 2.85Å; E226-I230 WeakPolarHBondContact O-CG1 3.21Å; E226-I230 PolarHBondContact O-N 3.4Å; E226-I230 VanDerWaalsContact O-N 3.09Å
227	I	98.9	Very high	98.5	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-47.1	173.4	-65.8	164.9	0	0	0	110.1	F187 L193 I196 P219 Q223 W224 K225 D229 I230 V231 F262	F187-I227 HydrophobicContact CE1-CD1 4.31Å; F187-I227 HydrophobicContact CZ-CD1 4.08Å; L193-I227 HydrophobicContact CD2-CG1 3.74Å; I196-I227 HydrophobicContact CD1-CG2 4.2Å; P219-I227 HydrophobicContact CB-CD1 4.24Å; P219-I227 HydrophobicContact CG-CD1 4.16Å; Q223-I227 VanDerWaalsContact O-CG1 3.28Å; Q223-I227 WeakPolarHBondContact O-CG1 3.23Å; Q223-I227 PolarHBondContact O-N 2.79Å; W224-I227 HydrophobicContact CE3-CB 4.35Å; W224-I227 HydrophobicContact CE3-CD1 3.87Å; W224-I227 HydrophobicContact CE3-CG2 4.39Å; W224-I227 HydrophobicContact CZ3-CD1 4.09Å; W224-I227 HydrophobicContact CZ3-CG2 4.41Å; W224-I227 PolarHBondContact O-N 3.32Å; K225-I227 PolarHBondContact O-N 3.21Å; I227-D229 VanDerWaalsContact C-N 3.31Å; I227-D229 PolarHBondContact O-N 2.83Å; I227-I230 PolarHBondContact O-N 3.01Å; I227-V231 HydrophobicContact CG2-CG2 4.05Å; I227-V231 WeakPolarHBondContact O-CB 3.46Å; I227-V231 WeakPolarHBondContact O-CG2 3.4Å; I227-V231 PolarHBondContact O-N 2.8Å; I227-F262 HydrophobicContact CG2-CZ 4.02Å
228	S	98.8	Very high	98.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.4	-45.4	178.1	-175.3	0	0	0	0	111.6	W224 K225 V231 K232 T265 H267	W224-S228 WeakPolarHBondContact O-CB 3.37Å; W224-S228 PolarHBondContact O-N 2.73Å; K225-S228 WeakPolarHBondContact O-CB 3.38Å; K225-S228 PolarHBondContact O-N 3.03Å; K225-S228 VanDerWaalsContact O-N 3.17Å; S228-V231 PolarHBondContact O-N 3.15Å; S228-K232 VanDerWaalsContact O-CB 3.32Å; S228-K232 WeakPolarHBondContact O-CB 3.48Å; S228-K232 PolarHBondContact O-N 3.02Å; S228-T265 PolarHBondContact OG-OG1 2.99Å; S228-H267 PolarHBondContact O-CE1 3.2Å; S228-H267 VanDerWaalsContact O-CE1 3.32Å; S228-H267 PolarHBondContact O-NE2 3.02Å; S228-H267 PolarHBondContact OG-CD2 2.84Å; S228-H267 PolarHBondContact OG-NE2 2.77Å
229	D	98.8	Very high	98.6	Very high	97 Å²	97	54.8 Å²	54.8	52%	0.519	26%	0.256	S	S	.	.	H	α-helix	trans	-63.1	-45.3	-179.8	-72.1	-22.8	0	0	0	112.1	K225 E226 I227 K232 K233	K225-D229 PolarHBondContact O-N 3.28Å; E226-D229 PolarHBondContact O-N 2.85Å; I227-D229 VanDerWaalsContact C-N 3.31Å; I227-D229 PolarHBondContact O-N 2.83Å; D229-K232 PolarHBondContact O-N 3.12Å; D229-K233 VanDerWaalsContact O-CB 3.32Å; D229-K233 WeakPolarHBondContact O-CB 3.16Å; D229-K233 PolarHBondContact O-N 3.42Å
230	I	98.6	Very high	98.6	Very high	36 Å²	36	54.4 Å²	54.4	19%	0.185	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-46.2	177.6	-62.6	-178.1	0	0	0	110.7	L193 I196 E226 I227 K232 K233 R234	L193-I230 HydrophobicContact CB-CD1 3.88Å; L193-I230 HydrophobicContact CD1-CD1 4.39Å; L193-I230 HydrophobicContact CD2-CD1 3.69Å; L193-I230 HydrophobicContact CG-CD1 4.18Å; I196-I230 HydrophobicContact CB-CG2 4.46Å; I196-I230 HydrophobicContact CG2-CB 4.44Å; I196-I230 HydrophobicContact CG2-CG2 3.83Å; E226-I230 WeakPolarHBondContact O-CG1 3.21Å; E226-I230 PolarHBondContact O-N 3.4Å; E226-I230 VanDerWaalsContact O-N 3.09Å; I227-I230 PolarHBondContact O-N 3.01Å; I230-K232 VanDerWaalsContact C-N 3.26Å; I230-K232 PolarHBondContact O-N 2.89Å; I230-K233 PolarHBondContact O-N 2.95Å; I230-R234 HydrophobicContact CG2-CG 4.18Å; I230-R234 WeakPolarHBondContact O-CB 3.49Å; I230-R234 WeakPolarHBondContact O-CG 3.47Å; I230-R234 PolarHBondContact O-N 3.42Å
231	V	98.6	Very high	98.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.5	-43.5	177.6	165.9	0	0	0	0	110.3	I196 I205 I227 S228 R234 N235 L236 V238 F262 H267	I196-V231 HydrophobicContact CG2-CG2 4.02Å; I205-V231 HydrophobicContact CG2-CG2 4.43Å; I227-V231 HydrophobicContact CG2-CG2 4.05Å; I227-V231 WeakPolarHBondContact O-CB 3.46Å; I227-V231 WeakPolarHBondContact O-CG2 3.4Å; I227-V231 PolarHBondContact O-N 2.8Å; S228-V231 PolarHBondContact O-N 3.15Å; V231-R234 CarbonylContact O-C 3.52Å; V231-R234 PolarHBondContact O-N 3.41Å; V231-N235 PolarHBondContact O-N 2.91Å; V231-L236 HydrophobicContact CG1-CB 4.03Å; V231-L236 HydrophobicContact CG2-CD1 4.36Å; V231-L236 PolarHBondContact O-N 2.91Å; V231-V238 HydrophobicContact CG1-CG2 3.25Å; V231-F262 HydrophobicContact CB-CE1 4.41Å; V231-F262 HydrophobicContact CG1-CE1 4.23Å; V231-F262 HydrophobicContact CG2-CE1 4.43Å; V231-H267 VanDerWaalsContact CG1-CE1 3.47Å; V231-H267 WeakPolarHBondContact CG1-CE1 3.39Å
232	K	98.4	Very high	98.7	Very high	114 Å²	114	45.1 Å²	45.1	50%	0.496	21%	0.211	S	C	.	.	H	α-helix	trans	-66.4	-46.9	178.4	-168.7	174.1	179.3	-179.3	0	111.3	S228 D229 I230 R234 N235 T265 H267	S228-K232 VanDerWaalsContact O-CB 3.32Å; S228-K232 WeakPolarHBondContact O-CB 3.48Å; S228-K232 PolarHBondContact O-N 3.02Å; D229-K232 PolarHBondContact O-N 3.12Å; I230-K232 VanDerWaalsContact C-N 3.26Å; I230-K232 PolarHBondContact O-N 2.89Å; K232-R234 VanDerWaalsContact C-N 3.27Å; K232-R234 PolarHBondContact O-N 2.71Å; K232-N235 PolarHBondContact O-N 3.09Å; K232-T265 WeakPolarHBondContact CD-O 3.32Å; K232-T265 VanDerWaalsContact CE-O 3.31Å; K232-T265 WeakPolarHBondContact CE-O 3.29Å; K232-T265 PolarHBondContact NZ-O 3.37Å; K232-H267 PolarHBondContact N-CE1 2.98Å
233	K	98.3	Very high	98.7	Very high	176 Å²	176	40.6 Å²	40.6	77%	0.765	19%	0.192	S	C	*	.	H	α-helix	trans	-59.7	-37.4	177.8	-177.9	178.1	178.5	179.9	0	112.3	D229 I230 N235	D229-K233 VanDerWaalsContact O-CB 3.32Å; D229-K233 WeakPolarHBondContact O-CB 3.16Å; D229-K233 PolarHBondContact O-N 3.42Å; I230-K233 PolarHBondContact O-N 2.95Å; K233-N235 VanDerWaalsContact C-N 3.3Å
234	R	97.6	Very high	98.7	Very high	44 Å²	44	40.4 Å²	40.4	17%	0.166	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-0.9	177.1	-62.3	-50.4	-51.2	-62.5	-10.7	113.3	S197 K198 I199 E201 I230 V231 K232 L236	S197-R234 PolarHBondContact O-NH1 2.99Å; K198-R234 VanDerWaalsContact C-NH1 3.29Å; I199-R234 PolarHBondContact O-NH1 2.84Å; I199-R234 PolarHBondContact O-NH2 3.49Å; E201-R234 VanDerWaalsContact CA-O 3.26Å; E201-R234 WeakPolarHBondContact CA-O 3.09Å; E201-R234 WeakPolarHBondContact CB-O 3.37Å; E201-R234 WeakPolarHBondContact CG-O 3.35Å; I230-R234 HydrophobicContact CG2-CG 4.18Å; I230-R234 WeakPolarHBondContact O-CB 3.49Å; I230-R234 WeakPolarHBondContact O-CG 3.47Å; I230-R234 PolarHBondContact O-N 3.42Å; V231-R234 CarbonylContact O-C 3.52Å; V231-R234 PolarHBondContact O-N 3.41Å; K232-R234 VanDerWaalsContact C-N 3.27Å; K232-R234 PolarHBondContact O-N 2.71Å; R234-L236 VanDerWaalsContact C-N 3.28Å; R234-L236 HydrophobicContact CB-CD1 4.29Å; R234-L236 HydrophobicContact CB-CD2 3.95Å; R234-L236 HydrophobicContact CB-CG 3.79Å; R234-L236 PolarHBondContact O-N 2.87Å
235	N	97.9	Very high	98.7	Very high	95 Å²	95	39.9 Å²	39.9	51%	0.508	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	47	-178.5	-169.6	28	0	0	0	112.4	K202 V231 K232 K233	K202-N235 WeakPolarHBondContact CA-O 3.21Å; K202-N235 PolarHBondContact N-O 3.38Å; V231-N235 PolarHBondContact O-N 2.91Å; K232-N235 PolarHBondContact O-N 3.09Å; K233-N235 VanDerWaalsContact C-N 3.3Å
236	L	98.8	Very high	98.6	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.052	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-83.5	145.3	178.4	-53.1	-178.1	0	0	0	110.5	I196 I199 P200 S203 I205 V231 R234	I196-L236 HydrophobicContact CG2-CD1 4.17Å; I199-L236 HydrophobicContact CB-CD1 4.04Å; I199-L236 HydrophobicContact CB-CD2 4.27Å; I199-L236 HydrophobicContact CD1-CD1 4.16Å; I199-L236 HydrophobicContact CG2-CD1 3.91Å; I199-L236 HydrophobicContact CG2-CD2 3.62Å; I199-L236 HydrophobicContact CG2-CG 4.42Å; P200-L236 WeakPolarHBondContact O-CD2 3.24Å; S203-L236 WeakPolarHBondContact O-CA 3.4Å; I205-L236 HydrophobicContact CG2-CB 4.16Å; I205-L236 HydrophobicContact CG2-CD1 4.36Å; V231-L236 HydrophobicContact CG1-CB 4.03Å; V231-L236 HydrophobicContact CG2-CD1 4.36Å; V231-L236 PolarHBondContact O-N 2.91Å; R234-L236 VanDerWaalsContact C-N 3.28Å; R234-L236 HydrophobicContact CB-CD1 4.29Å; R234-L236 HydrophobicContact CB-CD2 3.95Å; R234-L236 HydrophobicContact CB-CG 3.79Å; R234-L236 PolarHBondContact O-N 2.87Å
237	L	98.8	Very high	98.4	Very high	38 Å²	38	31.2 Å²	31.2	20%	0.199	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	121.3	170.4	-179.7	61.8	0	0	0	109.8	L143 S203 I204 I205 N268	L143-L237 HydrophobicContact CD2-CD2 3.48Å; L143-L237 VanDerWaalsContact CD2-CD2 3.48Å; S203-L237 PolarHBondContact O-N 3.34Å; I204-L237 WeakPolarHBondContact CA-O 3.45Å; I204-L237 HydrophobicContact CG1-CB 4.27Å; I204-L237 HydrophobicContact CG1-CD2 4.25Å; I205-L237 PolarHBondContact N-O 3.19Å; L237-N268 WeakPolarHBondContact CD1-O 3.37Å
238	V	98.9	Very high	98.2	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125.1	-179.4	-177.9	0	0	0	0	110.9	I205 L207 V231 F240 F262 I269 V270	I205-V238 HydrophobicContact CG2-CG2 4.09Å; L207-V238 HydrophobicContact CD1-CG1 3.63Å; L207-V238 HydrophobicContact CG-CG1 4.24Å; V231-V238 HydrophobicContact CG1-CG2 3.25Å; V238-F240 HydrophobicContact CG1-CD2 3.54Å; V238-F240 HydrophobicContact CG1-CE2 3.43Å; V238-F240 VanDerWaalsContact CG1-CE2 3.43Å; V238-F240 HydrophobicContact CG1-CG 4.27Å; V238-F240 HydrophobicContact CG1-CZ 4.06Å; V238-F262 HydrophobicContact CB-CD1 4.45Å; V238-F262 HydrophobicContact CG1-CD1 4.18Å; V238-F262 HydrophobicContact CG1-CE1 4.26Å; V238-F262 HydrophobicContact CG2-CD1 3.88Å; V238-F262 HydrophobicContact CG2-CE1 3.87Å; V238-I269 HydrophobicContact CB-CG2 4.02Å; V238-I269 HydrophobicContact CG1-CG2 4.34Å; V238-V270 PolarHBondContact O-N 3.02Å
239	F	98.9	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	106.4	169.4	-163.3	-42	0	0	0	109	L136 L143 F167 I204 I205 V206 L207 V270 F289	L136-F239 HydrophobicContact CD2-CD1 4.37Å; L136-F239 HydrophobicContact CD2-CE1 3.66Å; L136-F239 HydrophobicContact CD2-CZ 3.97Å; L143-F239 HydrophobicContact CD1-CD2 3.65Å; L143-F239 HydrophobicContact CD1-CE2 4.01Å; F167-F239 HydrophobicContact CE1-CD2 4.16Å; F167-F239 HydrophobicContact CE1-CE2 4.04Å; F167-F239 HydrophobicContact CZ-CD2 4.09Å; F167-F239 HydrophobicContact CZ-CE2 4.07Å; I204-F239 HydrophobicContact CG2-CB 4.24Å; I205-F239 PolarHBondContact O-N 3.07Å; V206-F239 CarbonylContact C-O 3.43Å; V206-F239 VanDerWaalsContact CA-O 3.28Å; V206-F239 WeakPolarHBondContact CA-O 3.49Å; V206-F239 HydrophobicContact CG2-CB 4.15Å; L207-F239 PolarHBondContact N-O 2.89Å; F239-V270 CarbonylContact C-O 3.59Å; F239-V270 WeakPolarHBondContact CA-O 3.19Å; F239-V270 HydrophobicContact CB-CG2 3.69Å; F239-V270 HydrophobicContact CD1-CG2 3.98Å; F239-V270 HydrophobicContact CD2-CG2 3.41Å; F239-V270 VanDerWaalsContact CD2-CG2 3.41Å; F239-V270 HydrophobicContact CE1-CG2 4.39Å; F239-V270 HydrophobicContact CE2-CG2 3.9Å; F239-V270 HydrophobicContact CG-CG2 3.42Å; F239-V270 VanDerWaalsContact CG-CG2 3.42Å; F239-V270 HydrophobicContact CZ-CG2 4.35Å; F239-F289 HydrophobicContact CE1-CE2 4.42Å; F239-F289 HydrophobicContact CE2-CE2 4.2Å; F239-F289 HydrophobicContact CZ-CD2 4.36Å; F239-F289 AromaticContact CZ-CE2 3.76Å; F239-F289 HydrophobicContact CZ-CE2 3.76Å
240	F	98.9	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	132.3	172.5	-82.6	-75	0	0	0	112.2	L207 A209 V238 A258 V259 F262 I269 V270 L271 S272	L207-F240 HydrophobicContact CB-CD1 3.73Å; L207-F240 HydrophobicContact CB-CE1 3.63Å; L207-F240 HydrophobicContact CB-CZ 4.36Å; L207-F240 HydrophobicContact CD1-CE1 3.95Å; L207-F240 HydrophobicContact CD1-CZ 3.87Å; L207-F240 HydrophobicContact CG-CE1 4.45Å; L207-F240 CarbonylContact O-C 3.6Å; L207-F240 VanDerWaalsContact O-CA 3.29Å; L207-F240 WeakPolarHBondContact O-CA 3.38Å; A209-F240 HydrophobicContact CB-CD1 4.08Å; V238-F240 HydrophobicContact CG1-CD2 3.54Å; V238-F240 HydrophobicContact CG1-CE2 3.43Å; V238-F240 VanDerWaalsContact CG1-CE2 3.43Å; V238-F240 HydrophobicContact CG1-CG 4.27Å; V238-F240 HydrophobicContact CG1-CZ 4.06Å; F240-A258 HydrophobicContact CE1-CB 4.4Å; F240-V259 HydrophobicContact CB-CG2 4.09Å; F240-V259 HydrophobicContact CD1-CG2 3.85Å; F240-V259 HydrophobicContact CD2-CG2 3.95Å; F240-V259 HydrophobicContact CE1-CG2 4.22Å; F240-V259 HydrophobicContact CE2-CG2 4.29Å; F240-V259 HydrophobicContact CG-CG2 3.7Å; F240-V259 HydrophobicContact CZ-CG2 4.42Å; F240-F262 HydrophobicContact CE2-CB 3.99Å; F240-F262 AromaticContact CE2-CD1 3.97Å; F240-F262 HydrophobicContact CE2-CD1 3.97Å; F240-F262 HydrophobicContact CE2-CD2 4.32Å; F240-F262 AromaticContact CE2-CG 3.84Å; F240-F262 HydrophobicContact CE2-CG 3.84Å; F240-F262 HydrophobicContact CZ-CB 4.4Å; F240-F262 HydrophobicContact CZ-CD1 4.08Å; F240-F262 AromaticContact CZ-CD2 3.89Å; F240-F262 HydrophobicContact CZ-CD2 3.89Å; F240-F262 HydrophobicContact CZ-CE1 4.27Å; F240-F262 HydrophobicContact CZ-CE2 4.08Å; F240-F262 AromaticContact CZ-CG 3.86Å; F240-F262 HydrophobicContact CZ-CG 3.86Å; F240-F262 HydrophobicContact CZ-CZ 4.25Å; F240-I269 HydrophobicContact CD2-CB 4.43Å; F240-I269 HydrophobicContact CD2-CD1 3.81Å; F240-I269 HydrophobicContact CD2-CG2 4.36Å; F240-I269 HydrophobicContact CE2-CD1 4.37Å; F240-I269 HydrophobicContact CE2-CG2 4.31Å; F240-V270 PolarHBondContact N-O 2.98Å; F240-L271 HydrophobicContact CB-CD1 3.56Å; F240-S272 PolarHBondContact O-N 3.23Å
241	D	98.9	Very high	98.1	Very high	12 Å²	12	30 Å²	30	6%	0.064	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.7	161.4	-178.4	10.8	0	0	0	109.5	L136 H163 L207 H208 A209	L136-D241 HydrophobicContact CD2-CB 4.4Å; H163-D241 IonicContact CE1-OD2 3.84Å; H163-D241 IonicContact NE2-OD2 2.81Å; H163-D241 PolarHBondContact NE2-OD2 3.25Å; L207-D241 PolarHBondContact O-N 3.48Å; H208-D241 WeakPolarHBondContact CA-O 3.47Å; A209-D241 PolarHBondContact N-O 3.21Å
242	M	98.9	Very high	98	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	73.5	-176	-170.1	164.1	70	0	0	111.1	A111 A209 Q245 A256 V259 L271 S272 Q273 S274	A111-M242 HydrophobicContact CB-CE 3.53Å; A209-M242 HydrophobicContact CB-CB 3.65Å; A209-M242 HydrophobicContact CB-CG 3.65Å; A209-M242 HydrophobicContact CB-SD 3.91Å; M242-Q245 HydrophobicContact CG-CB 4Å; M242-Q245 HydrophobicContact SD-CB 4.17Å; M242-Q245 HydrophobicContact SD-CG 4.35Å; M242-A256 HydrophobicContact SD-CB 4.17Å; M242-V259 HydrophobicContact SD-CG2 4.04Å; M242-L271 HydrophobicContact CB-CD1 3.79Å; M242-L271 HydrophobicContact CE-CD1 4.15Å; M242-L271 HydrophobicContact CE-CD2 4.03Å; M242-S272 WeakPolarHBondContact CA-O 3.35Å; M242-S272 WeakPolarHBondContact CB-O 3.5Å; M242-S272 PolarHBondContact N-O 3.38Å; M242-Q273 HydrophobicContact CE-CG 3.9Å; M242-S274 PolarHBondContact O-N 2.74Å
243	A	98.7	Very high	98	Very high	10 Å²	10	29 Å²	29	8%	0.083	15%	0.148	C	C	.	.	S	Bend	trans	-87.8	-8.3	-179	0	0	0	0	0	115.3
244	Y	98.6	Very high	98	Very high	11 Å²	11	28.5 Å²	28.5	4%	0.043	14%	0.142	C	C	.	.			trans	-128.6	13.3	-166.2	-57.5	-74.5	0	0	0	115.1	A211 N213 G246 F247 A248 K277 F379	A211-Y244 HydrophobicContact CB-CD2 3.88Å; A211-Y244 HydrophobicContact CB-CG 3.89Å; A211-Y244 WeakPolarHBondContact O-CD2 3.29Å; N213-Y244 HydrophobicContact CB-CE2 4.34Å; N213-Y244 PolarHBondContact ND2-OH 3.22Å; Y244-G246 PolarHBondContact O-N 3.05Å; Y244-F247 HydrophobicContact CD1-CD1 4.07Å; Y244-F247 CarbonylContact O-C 3.58Å; Y244-F247 WeakPolarHBondContact O-CA 3.23Å; Y244-F247 WeakPolarHBondContact O-CB 3.21Å; Y244-F247 PolarHBondContact O-N 3.35Å; Y244-A248 PolarHBondContact O-N 2.56Å; Y244-K277 HydrophobicContact CD1-CB 4.27Å; Y244-K277 HydrophobicContact CD1-CD 4.43Å; Y244-K277 HydrophobicContact CD1-CG 4.09Å; Y244-K277 HydrophobicContact CE1-CD 3.99Å; Y244-K277 HydrophobicContact CE1-CG 3.87Å; Y244-F379 WeakPolarHBondContact OH-CE2 3.37Å
245	Q	98.8	Very high	98.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	125	-178.8	-171.1	-172.8	4.6	0	0	112.4	L110 M242 F247 I252 D255 A256 N278	L110-Q245 PolarHBondContact O-NE2 3.47Å; M242-Q245 HydrophobicContact CG-CB 4Å; M242-Q245 HydrophobicContact SD-CB 4.17Å; M242-Q245 HydrophobicContact SD-CG 4.35Å; Q245-F247 PolarHBondContact O-N 3.15Å; Q245-I252 HydrophobicContact CG-CB 4.3Å; Q245-I252 WeakPolarHBondContact CG-O 3.46Å; Q245-I252 PolarHBondContact NE2-O 3.44Å; Q245-D255 HydrophobicContact CG-CB 4.16Å; Q245-A256 HydrophobicContact CG-CB 4.37Å; Q245-N278 VanDerWaalsContact O-CB 3.28Å; Q245-N278 WeakPolarHBondContact O-CB 3.33Å; Q245-N278 PolarHBondContact O-ND2 2.87Å
246	G	98	Very high	98.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-36.7	-172.4	0	0	0	0	0	113.2	Y244 A248 G250 D255 V342	Y244-G246 PolarHBondContact O-N 3.05Å; G246-A248 VanDerWaalsContact C-N 3.27Å; G246-A248 PolarHBondContact O-N 3.28Å; G246-G250 WeakPolarHBondContact O-CA 3.45Å; G246-G250 PolarHBondContact O-N 2.99Å; G246-D255 VanDerWaalsContact C-OD2 3.26Å; G246-D255 WeakPolarHBondContact CA-OD2 3.33Å; G246-D255 PolarHBondContact N-OD2 3.26Å; G246-V342 WeakPolarHBondContact O-CG1 3.45Å
247	F	94.3	Very high	98.1	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.8	-179.5	-173.1	-88.4	0	0	0	112.8	Y65 Y244 Q245 K277 N278 M345 I349 M378	Y65-F247 AromaticContact CD2-CE2 3.77Å; Y65-F247 HydrophobicContact CD2-CE2 3.77Å; Y65-F247 AromaticContact CD2-CZ 3.81Å; Y65-F247 HydrophobicContact CD2-CZ 3.81Å; Y65-F247 HydrophobicContact CG-CE2 4.03Å; Y65-F247 HydrophobicContact CG-CZ 4.3Å; Y244-F247 HydrophobicContact CD1-CD1 4.07Å; Y244-F247 CarbonylContact O-C 3.58Å; Y244-F247 WeakPolarHBondContact O-CA 3.23Å; Y244-F247 WeakPolarHBondContact O-CB 3.21Å; Y244-F247 PolarHBondContact O-N 3.35Å; Q245-F247 PolarHBondContact O-N 3.15Å; F247-K277 HydrophobicContact CD1-CB 4.44Å; F247-K277 HydrophobicContact CD2-CB 4.43Å; F247-K277 HydrophobicContact CG-CB 4.22Å; F247-N278 HydrophobicContact CB-CB 4.37Å; F247-M345 HydrophobicContact CD2-CB 4.3Å; F247-M345 HydrophobicContact CD2-CE 4.12Å; F247-M345 HydrophobicContact CD2-SD 4.43Å; F247-M345 HydrophobicContact CE2-CB 4.07Å; F247-M345 HydrophobicContact CE2-CE 4.46Å; F247-M345 HydrophobicContact CE2-SD 4.18Å; F247-I349 HydrophobicContact CZ-CG1 4.49Å; F247-M378 HydrophobicContact CE1-CB 3.81Å; F247-M378 HydrophobicContact CE1-CG 4.19Å; F247-M378 HydrophobicContact CE1-SD 4.36Å; F247-M378 HydrophobicContact CZ-CG 4.43Å; F247-M378 HydrophobicContact CZ-SD 4.33Å
248	A	95.6	Very high	98.1	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.033	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-53.7	-178.5	0	0	0	0	0	111.3	C210 A211 Y244 G246 D255 I376	C210-A248 HydrophobicContact CB-CB 4.2Å; A211-A248 HydrophobicContact CB-CB 3.63Å; Y244-A248 PolarHBondContact O-N 2.56Å; G246-A248 VanDerWaalsContact C-N 3.27Å; G246-A248 PolarHBondContact O-N 3.28Å; A248-D255 WeakPolarHBondContact CB-OD2 3.13Å; A248-D255 PolarHBondContact N-OD2 3.37Å; A248-I376 HydrophobicContact CB-CG2 3.79Å; A248-I376 WeakPolarHBondContact O-CG2 3.37Å
249	S	96.8	Very high	98.1	Very high	19 Å²	19	24 Å²	24	13%	0.133	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-9.2	-176.7	69	0	0	0	0	115.3	D251 D255	S249-D251 VanDerWaalsContact C-N 3.32Å; S249-D251 PolarHBondContact OG-N 3.33Å; S249-D251 PolarHBondContact OG-O 3.13Å; S249-D255 WeakPolarHBondContact CB-OD1 3.42Å; S249-D255 PolarHBondContact N-OD1 2.79Å; S249-D255 PolarHBondContact N-OD2 3.12Å; S249-D255 PolarHBondContact OG-OD1 3.2Å
250	G	97.3	Very high	98.1	Very high	12 Å²	12	25.7 Å²	25.7	12%	0.124	12%	0.122	C	C	.	.	S	Bend	trans	86	3	-170	0	0	0	0	0	113.7	G246 H343 A346	G246-G250 WeakPolarHBondContact O-CA 3.45Å; G246-G250 PolarHBondContact O-N 2.99Å; G250-H343 PolarHBondContact O-ND1 2.9Å; G250-A346 VanDerWaalsContact CA-CB 3.49Å; G250-A346 VanDerWaalsContact N-CB 3.28Å
251	D	98.4	Very high	98.1	Very high	76 Å²	76	26.8 Å²	26.8	41%	0.406	13%	0.127	S	C	.	.			trans	-130.3	116.3	-179.3	179.8	-26.8	0	0	0	109.9	S249 D253 R254 D255	S249-D251 VanDerWaalsContact C-N 3.32Å; S249-D251 PolarHBondContact OG-N 3.33Å; S249-D251 PolarHBondContact OG-O 3.13Å; D251-D253 VanDerWaalsContact C-N 3.29Å; D251-D253 PolarHBondContact O-N 3.26Å; D251-D253 WeakPolarHBondContact OD1-CA 3.13Å; D251-D253 PolarHBondContact OD1-N 2.99Å; D251-R254 HydrophobicContact CB-CB 3.86Å; D251-R254 PolarHBondContact OD1-N 3.46Å; D251-D255 WeakPolarHBondContact O-CB 3.47Å; D251-D255 PolarHBondContact O-N 3.33Å; D251-D255 VanDerWaalsContact O-N 3.11Å
252	I	98.2	Very high	98.1	Very high	15 Å²	15	26.2 Å²	26.2	8%	0.077	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-26.1	-176.4	55.6	157.9	0	0	0	113.6	L110 Q245 A256 W338 L339	L110-I252 HydrophobicContact CD1-CB 4.31Å; L110-I252 HydrophobicContact CD1-CD1 3.77Å; L110-I252 HydrophobicContact CD1-CG2 4.37Å; Q245-I252 HydrophobicContact CG-CB 4.3Å; Q245-I252 WeakPolarHBondContact CG-O 3.46Å; Q245-I252 PolarHBondContact NE2-O 3.44Å; I252-A256 WeakPolarHBondContact O-CB 3.21Å; I252-A256 PolarHBondContact O-N 3.44Å; I252-W338 HydrophobicContact CG2-CH2 4.21Å; I252-L339 HydrophobicContact CD1-CD2 3.8Å; I252-L339 HydrophobicContact CG1-CD2 3.96Å; I252-L339 HydrophobicContact CG2-CD2 3.77Å
253	D	98.3	Very high	98.1	Very high	78 Å²	78	26.4 Å²	26.4	42%	0.417	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-40.7	-176.6	-67.7	-45.9	0	0	0	110.2	D251 D255 A256 W257 R260	D251-D253 VanDerWaalsContact C-N 3.29Å; D251-D253 PolarHBondContact O-N 3.26Å; D251-D253 WeakPolarHBondContact OD1-CA 3.13Å; D251-D253 PolarHBondContact OD1-N 2.99Å; D253-D255 VanDerWaalsContact C-N 3.3Å; D253-D255 PolarHBondContact O-N 2.94Å; D253-A256 PolarHBondContact O-N 3.45Å; D253-W257 PolarHBondContact O-N 2.55Å; D253-R260 IonicContact OD1-CZ 3.17Å; D253-R260 IonicContact OD1-NH1 2.93Å; D253-R260 PolarHBondContact OD1-NH1 3.04Å; D253-R260 IonicContact OD1-NH2 3.33Å; D253-R260 PolarHBondContact OD1-NH2 3.46Å
254	R	98.3	Very high	98	Very high	166 Å²	166	32.7 Å²	32.7	63%	0.626	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-45.7	169.5	-178.1	177.7	175.7	-179	-0.7	111.2	D251 A256 W257	D251-R254 HydrophobicContact CB-CB 3.86Å; D251-R254 PolarHBondContact OD1-N 3.46Å; R254-A256 VanDerWaalsContact C-N 3.26Å; R254-A256 PolarHBondContact O-N 3.17Å; R254-W257 VanDerWaalsContact O-CB 3.23Å; R254-W257 WeakPolarHBondContact O-CB 3.37Å; R254-W257 PolarHBondContact O-N 3.42Å
255	D	98.8	Very high	98	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.043	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-20.3	-176.9	-71.7	-4.9	0	0	0	113.5	C210 Q245 G246 A248 S249 D251 D253	C210-D255 PolarHBondContact SG-O 3.43Å; C210-D255 VanDerWaalsContact SG-O 3.36Å; Q245-D255 HydrophobicContact CG-CB 4.16Å; G246-D255 VanDerWaalsContact C-OD2 3.26Å; G246-D255 WeakPolarHBondContact CA-OD2 3.33Å; G246-D255 PolarHBondContact N-OD2 3.26Å; A248-D255 WeakPolarHBondContact CB-OD2 3.13Å; A248-D255 PolarHBondContact N-OD2 3.37Å; S249-D255 WeakPolarHBondContact CB-OD1 3.42Å; S249-D255 PolarHBondContact N-OD1 2.79Å; S249-D255 PolarHBondContact N-OD2 3.12Å; S249-D255 PolarHBondContact OG-OD1 3.2Å; D251-D255 WeakPolarHBondContact O-CB 3.47Å; D251-D255 PolarHBondContact O-N 3.33Å; D251-D255 VanDerWaalsContact O-N 3.11Å; D253-D255 VanDerWaalsContact C-N 3.3Å; D253-D255 PolarHBondContact O-N 2.94Å
256	A	98.8	Very high	97.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	0.4	175	0	0	0	0	0	113.4	M242 Q245 I252 D253 R254 A258 V259 R260	M242-A256 HydrophobicContact SD-CB 4.17Å; Q245-A256 HydrophobicContact CG-CB 4.37Å; I252-A256 WeakPolarHBondContact O-CB 3.21Å; I252-A256 PolarHBondContact O-N 3.44Å; D253-A256 PolarHBondContact O-N 3.45Å; R254-A256 VanDerWaalsContact C-N 3.26Å; R254-A256 PolarHBondContact O-N 3.17Å; A256-A258 VanDerWaalsContact C-N 3.35Å; A256-A258 PolarHBondContact O-N 3.23Å; A256-V259 WeakPolarHBondContact O-CB 3.33Å; A256-V259 PolarHBondContact O-N 3.18Å; A256-V259 VanDerWaalsContact O-N 3.16Å; A256-R260 WeakPolarHBondContact O-CG 3.38Å; A256-R260 PolarHBondContact O-N 3.19Å
257	W	98.8	Very high	97.9	Very high	83 Å²	83	37 Å²	37	31%	0.314	19%	0.19	S	C	.	.	H	α-helix	trans	-58.1	-43.9	-172.3	-179.6	90.1	0	0	0	112.5	P221 W224 K225 D253 R254 V259 R260 H261	P221-W257 HydrophobicContact CB-CE3 4.33Å; P221-W257 HydrophobicContact CB-CH2 3.82Å; P221-W257 HydrophobicContact CB-CZ2 4.16Å; P221-W257 HydrophobicContact CB-CZ3 3.92Å; P221-W257 WeakPolarHBondContact O-CH2 3.42Å; W224-W257 HydrophobicContact CB-CH2 4.42Å; W224-W257 HydrophobicContact CB-CZ3 3.66Å; W224-W257 HydrophobicContact CG-CZ3 4.24Å; K225-W257 HydrophobicContact CG-CH2 4.12Å; D253-W257 PolarHBondContact O-N 2.55Å; R254-W257 VanDerWaalsContact O-CB 3.23Å; R254-W257 WeakPolarHBondContact O-CB 3.37Å; R254-W257 PolarHBondContact O-N 3.42Å; W257-V259 VanDerWaalsContact C-N 3.34Å; W257-V259 PolarHBondContact O-N 2.93Å; W257-R260 PolarHBondContact O-N 2.96Å; W257-H261 HydrophobicContact CD2-CB 4.45Å; W257-H261 HydrophobicContact CE3-CB 4.37Å; W257-H261 HydrophobicContact CH2-CB 4.02Å; W257-H261 AromaticContact CH2-CG 3.79Å; W257-H261 HydrophobicContact CZ2-CB 4.13Å; W257-H261 HydrophobicContact CZ3-CB 4.14Å; W257-H261 VanDerWaalsContact O-CB 3.3Å; W257-H261 WeakPolarHBondContact O-CB 3.4Å; W257-H261 PolarHBondContact O-N 3.49Å
258	A	98.8	Very high	98.1	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-42.9	179.4	0	0	0	0	0	111.8	W224 F240 A256 R260 H261 F262	W224-A258 HydrophobicContact CD2-CB 3.86Å; W224-A258 HydrophobicContact CE3-CB 4.41Å; W224-A258 HydrophobicContact CG-CB 4.05Å; W224-A258 HydrophobicContact CZ2-CB 4.29Å; F240-A258 HydrophobicContact CE1-CB 4.4Å; A256-A258 VanDerWaalsContact C-N 3.35Å; A256-A258 PolarHBondContact O-N 3.23Å; A258-R260 PolarHBondContact O-N 3.05Å; A258-H261 PolarHBondContact O-N 3.09Å; A258-F262 WeakPolarHBondContact O-CD2 3.45Å; A258-F262 PolarHBondContact O-N 3.49Å; A258-F262 VanDerWaalsContact O-N 3.07Å
259	V	98.9	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-47.7	176.6	170.8	0	0	0	0	110.9	L112 A209 F240 M242 A256 W257 F262 I263 I269 L271	L112-V259 HydrophobicContact CD2-CG1 4.31Å; A209-V259 HydrophobicContact CB-CG2 3.86Å; F240-V259 HydrophobicContact CB-CG2 4.09Å; F240-V259 HydrophobicContact CD1-CG2 3.85Å; F240-V259 HydrophobicContact CD2-CG2 3.95Å; F240-V259 HydrophobicContact CE1-CG2 4.22Å; F240-V259 HydrophobicContact CE2-CG2 4.29Å; F240-V259 HydrophobicContact CG-CG2 3.7Å; F240-V259 HydrophobicContact CZ-CG2 4.42Å; M242-V259 HydrophobicContact SD-CG2 4.04Å; A256-V259 WeakPolarHBondContact O-CB 3.33Å; A256-V259 PolarHBondContact O-N 3.18Å; A256-V259 VanDerWaalsContact O-N 3.16Å; W257-V259 VanDerWaalsContact C-N 3.34Å; W257-V259 PolarHBondContact O-N 2.93Å; V259-F262 PolarHBondContact O-N 2.85Å; V259-I263 HydrophobicContact CG1-CD1 4.26Å; V259-I263 PolarHBondContact O-N 3.38Å; V259-I269 HydrophobicContact CG1-CD1 3.64Å; V259-L271 HydrophobicContact CG1-CD2 4.36Å; V259-L271 HydrophobicContact CG2-CD1 4.18Å
260	R	98.8	Very high	98.4	Very high	35 Å²	35	39.3 Å²	39.3	13%	0.132	20%	0.201	C	C	.	.	H	α-helix	trans	-67.6	-41.2	-178.6	-65.2	174.5	-171.3	177.1	2	111.6	L110 A111 L112 D253 A256 W257 A258 F262 I263 E264	L110-R260 PolarHBondContact O-NH2 3.5Å; A111-R260 PolarHBondContact O-NE 2.68Å; L112-R260 PolarHBondContact O-NE 2.7Å; D253-R260 IonicContact OD1-CZ 3.17Å; D253-R260 IonicContact OD1-NH1 2.93Å; D253-R260 PolarHBondContact OD1-NH1 3.04Å; D253-R260 IonicContact OD1-NH2 3.33Å; D253-R260 PolarHBondContact OD1-NH2 3.46Å; A256-R260 WeakPolarHBondContact O-CG 3.38Å; A256-R260 PolarHBondContact O-N 3.19Å; W257-R260 PolarHBondContact O-N 2.96Å; A258-R260 PolarHBondContact O-N 3.05Å; R260-F262 PolarHBondContact O-N 3.29Å; R260-I263 PolarHBondContact O-N 2.84Å; R260-I263 VanDerWaalsContact O-N 3.16Å; R260-E264 WeakPolarHBondContact O-CB 3.42Å; R260-E264 VanDerWaalsContact O-CG 3.3Å; R260-E264 WeakPolarHBondContact O-CG 3.22Å; R260-E264 PolarHBondContact O-N 3.48Å
261	H	98.8	Very high	98.4	Very high	23 Å²	23	38.8 Å²	38.8	11%	0.106	20%	0.195	C	C	.	.	H	α-helix	trans	-60.5	-42.1	176.5	178.8	62.3	0	0	0	112.5	W257 A258 I263 E264 T265	W257-H261 HydrophobicContact CD2-CB 4.45Å; W257-H261 HydrophobicContact CE3-CB 4.37Å; W257-H261 HydrophobicContact CH2-CB 4.02Å; W257-H261 AromaticContact CH2-CG 3.79Å; W257-H261 HydrophobicContact CZ2-CB 4.13Å; W257-H261 HydrophobicContact CZ3-CB 4.14Å; W257-H261 VanDerWaalsContact O-CB 3.3Å; W257-H261 WeakPolarHBondContact O-CB 3.4Å; W257-H261 PolarHBondContact O-N 3.49Å; A258-H261 PolarHBondContact O-N 3.09Å; H261-I263 VanDerWaalsContact C-N 3.35Å; H261-E264 PolarHBondContact O-N 2.94Å; H261-T265 VanDerWaalsContact CE1-CG2 3.41Å; H261-T265 WeakPolarHBondContact CE1-CG2 3.38Å; H261-T265 WeakPolarHBondContact O-CB 3.1Å; H261-T265 WeakPolarHBondContact O-CG2 3.17Å; H261-T265 PolarHBondContact O-N 3.14Å; H261-T265 PolarHBondContact O-OG1 3.41Å
262	F	98.8	Very high	98.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.9	-42.9	175.3	-85.5	-121	0	0	0	110.9	L207 W224 I227 V231 V238 F240 A258 V259 R260 T265 G266 H267 I269	L207-F262 HydrophobicContact CD1-CE1 3.72Å; L207-F262 HydrophobicContact CD1-CZ 3.73Å; W224-F262 AromaticContact CE3-CE2 4Å; W224-F262 HydrophobicContact CE3-CE2 4Å; W224-F262 HydrophobicContact CE3-CZ 4.25Å; I227-F262 HydrophobicContact CG2-CZ 4.02Å; V231-F262 HydrophobicContact CB-CE1 4.41Å; V231-F262 HydrophobicContact CG1-CE1 4.23Å; V231-F262 HydrophobicContact CG2-CE1 4.43Å; V238-F262 HydrophobicContact CB-CD1 4.45Å; V238-F262 HydrophobicContact CG1-CD1 4.18Å; V238-F262 HydrophobicContact CG1-CE1 4.26Å; V238-F262 HydrophobicContact CG2-CD1 3.88Å; V238-F262 HydrophobicContact CG2-CE1 3.87Å; F240-F262 HydrophobicContact CE2-CB 3.99Å; F240-F262 AromaticContact CE2-CD1 3.97Å; F240-F262 HydrophobicContact CE2-CD1 3.97Å; F240-F262 HydrophobicContact CE2-CD2 4.32Å; F240-F262 AromaticContact CE2-CG 3.84Å; F240-F262 HydrophobicContact CE2-CG 3.84Å; F240-F262 HydrophobicContact CZ-CB 4.4Å; F240-F262 HydrophobicContact CZ-CD1 4.08Å; F240-F262 AromaticContact CZ-CD2 3.89Å; F240-F262 HydrophobicContact CZ-CD2 3.89Å; F240-F262 HydrophobicContact CZ-CE1 4.27Å; F240-F262 HydrophobicContact CZ-CE2 4.08Å; F240-F262 AromaticContact CZ-CG 3.86Å; F240-F262 HydrophobicContact CZ-CG 3.86Å; F240-F262 HydrophobicContact CZ-CZ 4.25Å; A258-F262 WeakPolarHBondContact O-CD2 3.45Å; A258-F262 PolarHBondContact O-N 3.49Å; A258-F262 VanDerWaalsContact O-N 3.07Å; V259-F262 PolarHBondContact O-N 2.85Å; R260-F262 PolarHBondContact O-N 3.29Å; F262-T265 WeakPolarHBondContact CA-OG1 3.35Å; F262-T265 PolarHBondContact O-N 2.92Å; F262-T265 PolarHBondContact O-OG1 3.24Å; F262-G266 PolarHBondContact O-N 3Å; F262-H267 HydrophobicContact CB-CB 4.19Å; F262-H267 AromaticContact CD1-CD2 3.93Å; F262-H267 AromaticContact CD1-CG 3.99Å; F262-H267 AromaticContact CD1-NE2 3.95Å; F262-H267 VanDerWaalsContact O-CB 3.23Å; F262-H267 WeakPolarHBondContact O-CB 3.22Å; F262-H267 PolarHBondContact O-CD2 3.42Å; F262-H267 PolarHBondContact O-N 2.9Å; F262-I269 HydrophobicContact CB-CG2 4.27Å
263	I	98.6	Very high	98.5	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-47.2	175.9	-70.6	167.2	0	0	0	111.5	L112 V118 V259 R260 H261 T265 G266 I269 V292	L112-I263 HydrophobicContact CD2-CD1 3.44Å; L112-I263 VanDerWaalsContact CD2-CD1 3.44Å; V118-I263 HydrophobicContact CG2-CG2 3.41Å; V118-I263 VanDerWaalsContact CG2-CG2 3.41Å; V259-I263 HydrophobicContact CG1-CD1 4.26Å; V259-I263 PolarHBondContact O-N 3.38Å; R260-I263 PolarHBondContact O-N 2.84Å; R260-I263 VanDerWaalsContact O-N 3.16Å; H261-I263 VanDerWaalsContact C-N 3.35Å; I263-T265 VanDerWaalsContact C-N 3.25Å; I263-T265 PolarHBondContact O-N 2.73Å; I263-G266 PolarHBondContact O-N 3.39Å; I263-I269 HydrophobicContact CD1-CD1 3.88Å; I263-I269 HydrophobicContact CD1-CG1 4.24Å; I263-I269 HydrophobicContact CG1-CD1 4.02Å; I263-I269 HydrophobicContact CG1-CG1 4.1Å; I263-V292 HydrophobicContact CD1-CG2 4.14Å; I263-V292 HydrophobicContact CG1-CG2 4.49Å
264	E	97.6	Very high	98.5	Very high	141 Å²	141	31.1 Å²	31.1	66%	0.659	16%	0.155	S	C	*	.	H	α-helix	trans	-61.2	-34.2	179.4	-74	168.2	-172.5	0	0	112.4	R260 H261 G266	R260-E264 WeakPolarHBondContact O-CB 3.42Å; R260-E264 VanDerWaalsContact O-CG 3.3Å; R260-E264 WeakPolarHBondContact O-CG 3.22Å; R260-E264 PolarHBondContact O-N 3.48Å; H261-E264 PolarHBondContact O-N 2.94Å; E264-G266 PolarHBondContact O-N 3.23Å
265	T	97.3	Very high	98.6	Very high	35 Å²	35	23.3 Å²	23.3	22%	0.215	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	8.8	175.8	52	0	0	0	0	113	S228 K232 H261 F262 I263 H267	S228-T265 PolarHBondContact OG-OG1 2.99Å; K232-T265 WeakPolarHBondContact CD-O 3.32Å; K232-T265 VanDerWaalsContact CE-O 3.31Å; K232-T265 WeakPolarHBondContact CE-O 3.29Å; K232-T265 PolarHBondContact NZ-O 3.37Å; H261-T265 VanDerWaalsContact CE1-CG2 3.41Å; H261-T265 WeakPolarHBondContact CE1-CG2 3.38Å; H261-T265 WeakPolarHBondContact O-CB 3.1Å; H261-T265 WeakPolarHBondContact O-CG2 3.17Å; H261-T265 PolarHBondContact O-N 3.14Å; H261-T265 PolarHBondContact O-OG1 3.41Å; F262-T265 WeakPolarHBondContact CA-OG1 3.35Å; F262-T265 PolarHBondContact O-N 2.92Å; F262-T265 PolarHBondContact O-OG1 3.24Å; I263-T265 VanDerWaalsContact C-N 3.25Å; I263-T265 PolarHBondContact O-N 2.73Å; T265-H267 PolarHBondContact OG1-CD2 2.8Å
266	G	97.1	Very high	98.6	Very high	55 Å²	55	23 Å²	23	57%	0.567	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.3	15.7	168.1	0	0	0	0	0	115.1	F262 I263 E264	F262-G266 PolarHBondContact O-N 3Å; I263-G266 PolarHBondContact O-N 3.39Å; E264-G266 PolarHBondContact O-N 3.23Å
267	H	98.4	Very high	98.5	Very high	14 Å²	14	24.9 Å²	24.9	7%	0.065	13%	0.132	C	C	.	.			trans	-79.9	132.9	173.8	-62.8	-100.5	0	0	0	111.2	S228 V231 K232 F262 T265 I269	S228-H267 PolarHBondContact O-CE1 3.2Å; S228-H267 VanDerWaalsContact O-CE1 3.32Å; S228-H267 PolarHBondContact O-NE2 3.02Å; S228-H267 PolarHBondContact OG-CD2 2.84Å; S228-H267 PolarHBondContact OG-NE2 2.77Å; V231-H267 VanDerWaalsContact CG1-CE1 3.47Å; V231-H267 WeakPolarHBondContact CG1-CE1 3.39Å; K232-H267 PolarHBondContact N-CE1 2.98Å; F262-H267 HydrophobicContact CB-CB 4.19Å; F262-H267 AromaticContact CD1-CD2 3.93Å; F262-H267 AromaticContact CD1-CG 3.99Å; F262-H267 AromaticContact CD1-NE2 3.95Å; F262-H267 VanDerWaalsContact O-CB 3.23Å; F262-H267 WeakPolarHBondContact O-CB 3.22Å; F262-H267 PolarHBondContact O-CD2 3.42Å; F262-H267 PolarHBondContact O-N 2.9Å; T265-H267 PolarHBondContact OG1-CD2 2.8Å; H267-I269 HydrophobicContact CB-CG2 3.83Å
268	N	98.3	Very high	98.5	Very high	67 Å²	67	21.1 Å²	21.1	36%	0.358	12%	0.118	S	C	.	.			trans	-93.2	98.1	165	-76.6	-19.2	0	0	0	108.5	R123 L237 V292 C293	R123-N268 PolarHBondContact NH1-OD1 3.47Å; R123-N268 VanDerWaalsContact NH1-OD1 3.13Å; L237-N268 WeakPolarHBondContact CD1-O 3.37Å; N268-V292 WeakPolarHBondContact CB-O 3.32Å; N268-C293 PolarHBondContact OD1-O 2.73Å
269	I	98.8	Very high	98.5	Very high	1 Å²	1	21 Å²	21	1%	0.005	12%	0.116	C	C	.	.			trans	-92.6	164.2	-173.5	68.6	166.7	0	0	0	112.3	V238 F240 V259 F262 I263 H267 L271 V292	V238-I269 HydrophobicContact CB-CG2 4.02Å; V238-I269 HydrophobicContact CG1-CG2 4.34Å; F240-I269 HydrophobicContact CD2-CB 4.43Å; F240-I269 HydrophobicContact CD2-CD1 3.81Å; F240-I269 HydrophobicContact CD2-CG2 4.36Å; F240-I269 HydrophobicContact CE2-CD1 4.37Å; F240-I269 HydrophobicContact CE2-CG2 4.31Å; V259-I269 HydrophobicContact CG1-CD1 3.64Å; F262-I269 HydrophobicContact CB-CG2 4.27Å; I263-I269 HydrophobicContact CD1-CD1 3.88Å; I263-I269 HydrophobicContact CD1-CG1 4.24Å; I263-I269 HydrophobicContact CG1-CD1 4.02Å; I263-I269 HydrophobicContact CG1-CG1 4.1Å; H267-I269 HydrophobicContact CB-CG2 3.83Å; I269-L271 HydrophobicContact CD1-CB 4.38Å; I269-V292 HydrophobicContact CG1-CB 4.36Å; I269-V292 HydrophobicContact CG1-CG2 3.85Å; I269-V292 PolarHBondContact O-N 3.42Å
270	V	98.9	Very high	98.5	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.03	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	146.2	155.5	-56.4	0	0	0	0	109.7	V238 F239 F240 F289 T290 V291	V238-V270 PolarHBondContact O-N 3.02Å; F239-V270 CarbonylContact C-O 3.59Å; F239-V270 WeakPolarHBondContact CA-O 3.19Å; F239-V270 HydrophobicContact CB-CG2 3.69Å; F239-V270 HydrophobicContact CD1-CG2 3.98Å; F239-V270 HydrophobicContact CD2-CG2 3.41Å; F239-V270 VanDerWaalsContact CD2-CG2 3.41Å; F239-V270 HydrophobicContact CE1-CG2 4.39Å; F239-V270 HydrophobicContact CE2-CG2 3.9Å; F239-V270 HydrophobicContact CG-CG2 3.42Å; F239-V270 VanDerWaalsContact CG-CG2 3.42Å; F239-V270 HydrophobicContact CZ-CG2 4.35Å; F240-V270 PolarHBondContact N-O 2.98Å; V270-F289 HydrophobicContact CB-CE2 3.96Å; V270-F289 HydrophobicContact CB-CZ 3.94Å; V270-F289 HydrophobicContact CG1-CZ 4.21Å; V270-F289 HydrophobicContact CG2-CE2 4.37Å; V270-T290 CarbonylContact C-O 3.46Å; V270-T290 WeakPolarHBondContact CA-O 3.42Å; V270-V291 HydrophobicContact CG1-CB 4.43Å; V270-V291 HydrophobicContact CG1-CG1 4.1Å; V270-V291 HydrophobicContact CG1-CG2 4.05Å
271	L	98.9	Very high	98.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.7	-171.4	173.3	68.3	0	0	0	111.1	A111 F240 M242 V259 I269 Q273 F289 T290	A111-L271 HydrophobicContact CB-CD2 3.56Å; F240-L271 HydrophobicContact CB-CD1 3.56Å; M242-L271 HydrophobicContact CB-CD1 3.79Å; M242-L271 HydrophobicContact CE-CD1 4.15Å; M242-L271 HydrophobicContact CE-CD2 4.03Å; V259-L271 HydrophobicContact CG1-CD2 4.36Å; V259-L271 HydrophobicContact CG2-CD1 4.18Å; I269-L271 HydrophobicContact CD1-CB 4.38Å; L271-Q273 HydrophobicContact CD2-CG 4.04Å; L271-Q273 HydrophobicContact CG-CG 4.1Å; L271-F289 WeakPolarHBondContact O-CA 3.39Å; L271-F289 WeakPolarHBondContact O-CD2 3.5Å; L271-T290 PolarHBondContact N-O 3.15Å; L271-T290 PolarHBondContact O-N 3.22Å
272	S	98.9	Very high	98.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.2	166.3	-173.1	0	0	0	0	111.5	G132 S135 F240 M242	G132-S272 PolarHBondContact O-OG 3.35Å; S135-S272 WeakPolarHBondContact CB-OG 3.28Å; S135-S272 WeakPolarHBondContact OG-CA 3.34Å; S135-S272 VanDerWaalsContact OG-CB 3.23Å; S135-S272 WeakPolarHBondContact OG-CB 3.25Å; S135-S272 PolarHBondContact OG-OG 3.29Å; F240-S272 PolarHBondContact O-N 3.23Å; M242-S272 WeakPolarHBondContact CA-O 3.35Å; M242-S272 WeakPolarHBondContact CB-O 3.5Å; M242-S272 PolarHBondContact N-O 3.38Å
273	Q	98.9	Very high	98.4	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145	174.5	-70.6	176.4	-91.7	0	0	111.3	C107 M242 L271 G287 G288	C107-Q273 PolarHBondContact O-NE2 2.9Å; C107-Q273 PolarHBondContact O-OE1 2.73Å; C107-Q273 VanDerWaalsContact SG-CD 3.53Å; C107-Q273 PolarHBondContact SG-OE1 2.81Å; M242-Q273 HydrophobicContact CE-CG 3.9Å; L271-Q273 HydrophobicContact CD2-CG 4.04Å; L271-Q273 HydrophobicContact CG-CG 4.1Å; Q273-G287 WeakPolarHBondContact O-CA 3.38Å; Q273-G288 PolarHBondContact N-O 3.22Å; Q273-G288 PolarHBondContact O-N 3.37Å; Q273-G288 VanDerWaalsContact O-N 3.09Å
274	S	98.9	Very high	98.4	Very high	5 Å²	5	28 Å²	28	4%	0.035	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.6	173.9	149	0	0	0	0	111	M242 A276	M242-S274 PolarHBondContact O-N 2.74Å; S274-A276 WeakPolarHBondContact OG-CB 3.3Å; S274-A276 PolarHBondContact OG-N 3.03Å
275	F	98.9	Very high	98.5	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	16%	0.156	C	C	.	.			trans	-99.3	8.6	174	-67.3	-93.2	0	0	0	113.6	F103 C107 L110 K277 N278 M279 L281 V286 L329	F103-F275 AromaticContact CE2-CD2 3.99Å; F103-F275 HydrophobicContact CE2-CD2 3.99Å; F103-F275 AromaticContact CE2-CE2 3.66Å; F103-F275 HydrophobicContact CE2-CE2 3.66Å; F103-F275 HydrophobicContact CE2-CZ 4.06Å; F103-F275 AromaticContact CZ-CD2 3.93Å; F103-F275 HydrophobicContact CZ-CD2 3.93Å; F103-F275 AromaticContact CZ-CE2 3.62Å; F103-F275 HydrophobicContact CZ-CE2 3.62Å; F103-F275 HydrophobicContact CZ-CZ 4.41Å; C107-F275 HydrophobicContact CB-CE2 4.39Å; C107-F275 HydrophobicContact CB-CZ 4.35Å; L110-F275 HydrophobicContact CD2-CE1 3.6Å; L110-F275 HydrophobicContact CD2-CZ 3.94Å; F275-K277 VanDerWaalsContact C-N 3.28Å; F275-K277 PolarHBondContact O-N 3.42Å; F275-N278 VanDerWaalsContact CA-OD1 3.25Å; F275-N278 WeakPolarHBondContact CA-OD1 3.39Å; F275-M279 HydrophobicContact CB-CB 4.5Å; F275-M279 HydrophobicContact CB-SD 4.32Å; F275-M279 HydrophobicContact CD1-CE 3.6Å; F275-M279 HydrophobicContact CD1-CG 4.02Å; F275-M279 HydrophobicContact CD1-SD 3.51Å; F275-M279 VanDerWaalsContact CD1-SD 3.51Å; F275-M279 HydrophobicContact CE1-CE 3.72Å; F275-M279 HydrophobicContact CE1-SD 4.22Å; F275-M279 HydrophobicContact CG-SD 4.26Å; F275-M279 PolarHBondContact O-N 3.46Å; F275-L281 PolarHBondContact O-N 2.97Å; F275-V286 HydrophobicContact CB-CB 4.05Å; F275-V286 HydrophobicContact CB-CG1 4.12Å; F275-V286 HydrophobicContact CD2-CG1 3.93Å; F275-V286 HydrophobicContact CG-CG1 4.22Å; F275-V286 PolarHBondContact N-O 3.28Å; F275-L329 HydrophobicContact CE1-CD1 4.06Å; F275-L329 HydrophobicContact CZ-CD1 4.31Å
276	A	98.6	Very high	98.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.008	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-34.2	-177	0	0	0	0	0	112.9	S274 G280 L281 Y282	S274-A276 WeakPolarHBondContact OG-CB 3.3Å; S274-A276 PolarHBondContact OG-N 3.03Å; A276-G280 CarbonylContact O-C 3.22Å; A276-G280 VanDerWaalsContact O-CA 3.29Å; A276-G280 WeakPolarHBondContact O-CA 3.5Å; A276-L281 PolarHBondContact O-N 3.06Å; A276-Y282 HydrophobicContact CB-CD1 4.12Å; A276-Y282 VanDerWaalsContact O-CD1 3.25Å; A276-Y282 WeakPolarHBondContact O-CD1 3.16Å; A276-Y282 WeakPolarHBondContact O-CE1 3.4Å; A276-Y282 WeakPolarHBondContact O-CE2 3.44Å
277	K	98.1	Very high	98.6	Very high	39 Å²	39	20.9 Å²	20.9	17%	0.17	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-55.8	-174	-74.4	80.4	-174.1	-179.9	0	111.3	Y244 F247 F275 M279 G280 Y282	Y244-K277 HydrophobicContact CD1-CB 4.27Å; Y244-K277 HydrophobicContact CD1-CD 4.43Å; Y244-K277 HydrophobicContact CD1-CG 4.09Å; Y244-K277 HydrophobicContact CE1-CD 3.99Å; Y244-K277 HydrophobicContact CE1-CG 3.87Å; F247-K277 HydrophobicContact CD1-CB 4.44Å; F247-K277 HydrophobicContact CD2-CB 4.43Å; F247-K277 HydrophobicContact CG-CB 4.22Å; F275-K277 VanDerWaalsContact C-N 3.28Å; F275-K277 PolarHBondContact O-N 3.42Å; K277-M279 VanDerWaalsContact C-N 3.26Å; K277-M279 PolarHBondContact O-N 3.23Å; K277-G280 PolarHBondContact O-N 3.19Å; K277-G280 VanDerWaalsContact O-N 3.12Å; K277-Y282 HydrophobicContact CD-CE1 4.27Å; K277-Y282 HydrophobicContact CG-CE1 4.01Å
278	N	98.2	Very high	98.6	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.021	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.8	-176.7	66.7	2	0	0	0	114	Q245 F247 F275 W338 V342	Q245-N278 VanDerWaalsContact O-CB 3.28Å; Q245-N278 WeakPolarHBondContact O-CB 3.33Å; Q245-N278 PolarHBondContact O-ND2 2.87Å; F247-N278 HydrophobicContact CB-CB 4.37Å; F275-N278 VanDerWaalsContact CA-OD1 3.25Å; F275-N278 WeakPolarHBondContact CA-OD1 3.39Å; N278-W338 HydrophobicContact CB-CZ2 4.38Å; N278-W338 PolarHBondContact O-NE1 3.08Å; N278-V342 HydrophobicContact CB-CG2 4.45Å; N278-V342 WeakPolarHBondContact O-CG2 3.37Å
279	M	98.8	Very high	98.7	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	3.7	171.1	-66.8	-176.3	178.1	0	0	112.9	V78 F275 K277 L281 A325 I328 L329 W338	V78-M279 WeakPolarHBondContact CG2-O 3.33Å; F275-M279 HydrophobicContact CB-CB 4.5Å; F275-M279 HydrophobicContact CB-SD 4.32Å; F275-M279 HydrophobicContact CD1-CE 3.6Å; F275-M279 HydrophobicContact CD1-CG 4.02Å; F275-M279 HydrophobicContact CD1-SD 3.51Å; F275-M279 VanDerWaalsContact CD1-SD 3.51Å; F275-M279 HydrophobicContact CE1-CE 3.72Å; F275-M279 HydrophobicContact CE1-SD 4.22Å; F275-M279 HydrophobicContact CG-SD 4.26Å; F275-M279 PolarHBondContact O-N 3.46Å; K277-M279 VanDerWaalsContact C-N 3.26Å; K277-M279 PolarHBondContact O-N 3.23Å; M279-L281 HydrophobicContact CB-CB 4.47Å; M279-L281 HydrophobicContact CB-CD1 3.93Å; M279-L281 HydrophobicContact CB-CG 3.72Å; M279-L281 PolarHBondContact O-N 3.25Å; M279-L281 VanDerWaalsContact O-N 3.12Å; M279-L281 HydrophobicContact SD-CD1 4.1Å; M279-A325 HydrophobicContact CE-CB 4.26Å; M279-A325 HydrophobicContact SD-CB 3.69Å; M279-I328 HydrophobicContact CE-CG2 4.27Å; M279-I328 HydrophobicContact SD-CD1 4.34Å; M279-L329 HydrophobicContact CE-CD1 3.97Å; M279-L329 HydrophobicContact CE-CD2 3.71Å; M279-L329 HydrophobicContact CE-CG 3.66Å; M279-W338 HydrophobicContact CE-CD2 4.27Å; M279-W338 HydrophobicContact CE-CH2 4.45Å; M279-W338 HydrophobicContact CE-CZ2 4.03Å; M279-W338 HydrophobicContact CG-CZ2 4.39Å
280	G	98.3	Very high	98.7	Very high	20 Å²	20	17.1 Å²	17.1	21%	0.206	10%	0.099	C	C	.	.			trans	62.4	15.9	-174.6	0	0	0	0	0	114.7	A276 K277 Y282	A276-G280 CarbonylContact O-C 3.22Å; A276-G280 VanDerWaalsContact O-CA 3.29Å; A276-G280 WeakPolarHBondContact O-CA 3.5Å; K277-G280 PolarHBondContact O-N 3.19Å; K277-G280 VanDerWaalsContact O-N 3.12Å; G280-Y282 WeakPolarHBondContact O-CD2 3.47Å; G280-Y282 PolarHBondContact O-N 2.92Å
281	L	98.8	Very high	98.7	Very high	7 Å²	7	17.4 Å²	17.4	4%	0.037	10%	0.101	C	C	.	.			trans	-84.4	45.2	-175.5	-63.3	-176.6	0	0	0	112.3	V78 F275 A276 M279 G283 E284 V286 I324 A325	V78-L281 HydrophobicContact CG1-CD2 3.9Å; V78-L281 HydrophobicContact CG2-CD2 4.04Å; F275-L281 PolarHBondContact O-N 2.97Å; A276-L281 PolarHBondContact O-N 3.06Å; M279-L281 HydrophobicContact CB-CB 4.47Å; M279-L281 HydrophobicContact CB-CD1 3.93Å; M279-L281 HydrophobicContact CB-CG 3.72Å; M279-L281 PolarHBondContact O-N 3.25Å; M279-L281 VanDerWaalsContact O-N 3.12Å; M279-L281 HydrophobicContact SD-CD1 4.1Å; L281-G283 PolarHBondContact O-N 3.3Å; L281-E284 HydrophobicContact CB-CB 4.1Å; L281-E284 HydrophobicContact CB-CG 4.39Å; L281-E284 HydrophobicContact CD2-CG 4.11Å; L281-E284 PolarHBondContact O-N 3.36Å; L281-V286 HydrophobicContact CB-CG2 4.44Å; L281-V286 HydrophobicContact CD1-CG2 4.1Å; L281-I324 HydrophobicContact CD1-CB 4.45Å; L281-I324 HydrophobicContact CD1-CG2 4.11Å; L281-I324 HydrophobicContact CD2-CD1 4.48Å; L281-I324 HydrophobicContact CD2-CG2 4.18Å; L281-A325 HydrophobicContact CD1-CB 4.43Å
282	Y	98.1	Very high	98.7	Very high	56 Å²	56	17.6 Å²	17.6	22%	0.22	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-53.7	-173.9	-58.9	-85.3	0	0	0	112.4	A64 Y65 A276 K277 G280 R285	A64-Y282 HydrophobicContact CB-CD1 3.95Å; A64-Y282 HydrophobicContact CB-CE1 3.54Å; A64-Y282 HydrophobicContact CB-CE2 4.25Å; A64-Y282 HydrophobicContact CB-CG 4.48Å; Y65-Y282 VanDerWaalsContact CB-OH 3.29Å; Y65-Y282 WeakPolarHBondContact CB-OH 3.47Å; Y65-Y282 PolarHBondContact N-OH 2.84Å; A276-Y282 HydrophobicContact CB-CD1 4.12Å; A276-Y282 VanDerWaalsContact O-CD1 3.25Å; A276-Y282 WeakPolarHBondContact O-CD1 3.16Å; A276-Y282 WeakPolarHBondContact O-CE1 3.4Å; A276-Y282 WeakPolarHBondContact O-CE2 3.44Å; K277-Y282 HydrophobicContact CD-CE1 4.27Å; K277-Y282 HydrophobicContact CG-CE1 4.01Å; G280-Y282 WeakPolarHBondContact O-CD2 3.47Å; G280-Y282 PolarHBondContact O-N 2.92Å; Y282-R285 WeakPolarHBondContact O-CD 3.36Å; Y282-R285 PolarHBondContact O-NH1 3.21Å
283	G	98.1	Very high	98.7	Very high	69 Å²	69	17.7 Å²	17.7	71%	0.711	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-21.5	-175.5	0	0	0	0	0	114.4	L281 R285	L281-G283 PolarHBondContact O-N 3.3Å; G283-R285 VanDerWaalsContact C-N 3.25Å; G283-R285 WeakPolarHBondContact O-CD 3.44Å; G283-R285 WeakPolarHBondContact O-CG 3.44Å; G283-R285 PolarHBondContact O-N 3.47Å
284	E	98.8	Very high	98.6	Very high	61 Å²	61	24.7 Å²	24.7	29%	0.285	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.6	180	-65.5	-63	156.8	0	0	113.4	L281 V286 N320 G321	L281-E284 HydrophobicContact CB-CB 4.1Å; L281-E284 HydrophobicContact CB-CG 4.39Å; L281-E284 HydrophobicContact CD2-CG 4.11Å; L281-E284 PolarHBondContact O-N 3.36Å; E284-V286 HydrophobicContact CB-CG2 3.9Å; E284-N320 PolarHBondContact OE1-ND2 3.38Å; E284-N320 VanDerWaalsContact OE1-ND2 3.16Å; E284-N320 PolarHBondContact OE2-ND2 2.91Å; E284-G321 PolarHBondContact OE2-N 2.87Å
285	R	98.8	Very high	98.6	Very high	81 Å²	81	27.2 Å²	27.2	31%	0.306	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	51.5	174.7	-42.7	-50.5	-61.2	123.6	5.7	113.8	I130 S131 Y282 G283	I130-R285 CarbonylContact C-O 3.57Å; I130-R285 WeakPolarHBondContact CA-O 3.39Å; I130-R285 HydrophobicContact CG2-CB 3.63Å; I130-R285 HydrophobicContact CG2-CG 4.12Å; S131-R285 PolarHBondContact N-O 2.94Å; S131-R285 PolarHBondContact OG-NH1 2.87Å; Y282-R285 WeakPolarHBondContact O-CD 3.36Å; Y282-R285 PolarHBondContact O-NH1 3.21Å; G283-R285 VanDerWaalsContact C-N 3.25Å; G283-R285 WeakPolarHBondContact O-CD 3.44Å; G283-R285 WeakPolarHBondContact O-CG 3.44Å; G283-R285 PolarHBondContact O-N 3.47Å
286	V	98.9	Very high	98.6	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.1	-177.9	-172.5	0	0	0	0	111.5	F103 S131 F275 L281 E284 A325	F103-V286 HydrophobicContact CD2-CG1 4.35Å; F103-V286 HydrophobicContact CE1-CG1 4.28Å; F103-V286 HydrophobicContact CE2-CG1 3.49Å; F103-V286 VanDerWaalsContact CE2-CG1 3.49Å; F103-V286 HydrophobicContact CZ-CG1 3.46Å; F103-V286 VanDerWaalsContact CZ-CG1 3.46Å; S131-V286 WeakPolarHBondContact CA-O 3.37Å; S131-V286 PolarHBondContact OG-O 3.26Å; F275-V286 HydrophobicContact CB-CB 4.05Å; F275-V286 HydrophobicContact CB-CG1 4.12Å; F275-V286 HydrophobicContact CD2-CG1 3.93Å; F275-V286 HydrophobicContact CG-CG1 4.22Å; F275-V286 PolarHBondContact N-O 3.28Å; L281-V286 HydrophobicContact CB-CG2 4.44Å; L281-V286 HydrophobicContact CD1-CG2 4.1Å; E284-V286 HydrophobicContact CB-CG2 3.9Å; V286-A325 HydrophobicContact CG1-CB 4.14Å
287	G	98.9	Very high	98.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	172.1	179.3	0	0	0	0	0	113	F103 T129 Q273	F103-G287 WeakPolarHBondContact CE1-O 3.47Å; T129-G287 PolarHBondContact N-O 3.14Å; T129-G287 PolarHBondContact O-N 3.49Å; T129-G287 VanDerWaalsContact OG1-C 3.22Å; T129-G287 PolarHBondContact OG1-O 2.98Å; Q273-G287 WeakPolarHBondContact O-CA 3.38Å
288	G	98.8	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.8	-179.6	0	0	0	0	0	111.9	V127 T129 S135 Q273	V127-G288 WeakPolarHBondContact O-CA 3.25Å; T129-G288 PolarHBondContact OG1-N 3.3Å; S135-G288 WeakPolarHBondContact CB-O 3.48Å; S135-G288 PolarHBondContact OG-O 2.84Å; Q273-G288 PolarHBondContact N-O 3.22Å; Q273-G288 PolarHBondContact O-N 3.37Å; Q273-G288 VanDerWaalsContact O-N 3.09Å
289	F	98.9	Very high	98.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.8	166.4	-179.6	-110.9	0	0	0	108.6	T126 V127 T129 S135 I138 G139 F239 V270 L271 V291 L306	T126-F289 WeakPolarHBondContact CA-O 3.4Å; V127-F289 HydrophobicContact CG2-CB 3.99Å; V127-F289 HydrophobicContact CG2-CD1 4.37Å; V127-F289 PolarHBondContact N-O 3.37Å; V127-F289 PolarHBondContact O-N 3.48Å; T129-F289 HydrophobicContact CG2-CB 3.81Å; S135-F289 WeakPolarHBondContact OG-CA 3.37Å; S135-F289 WeakPolarHBondContact OG-CB 3.19Å; I138-F289 HydrophobicContact CG2-CD1 4.13Å; G139-F289 VanDerWaalsContact CA-CZ 3.46Å; F239-F289 HydrophobicContact CE1-CE2 4.42Å; F239-F289 HydrophobicContact CE2-CE2 4.2Å; F239-F289 HydrophobicContact CZ-CD2 4.36Å; F239-F289 AromaticContact CZ-CE2 3.76Å; F239-F289 HydrophobicContact CZ-CE2 3.76Å; V270-F289 HydrophobicContact CB-CE2 3.96Å; V270-F289 HydrophobicContact CB-CZ 3.94Å; V270-F289 HydrophobicContact CG1-CZ 4.21Å; V270-F289 HydrophobicContact CG2-CE2 4.37Å; L271-F289 WeakPolarHBondContact O-CA 3.39Å; L271-F289 WeakPolarHBondContact O-CD2 3.5Å; F289-V291 HydrophobicContact CD1-CG2 4.17Å; F289-V291 HydrophobicContact CE1-CG2 3.38Å; F289-V291 HydrophobicContact CZ-CG2 3.77Å; F289-L306 HydrophobicContact CD1-CD1 4.24Å; F289-L306 HydrophobicContact CD1-CD2 3.96Å; F289-L306 HydrophobicContact CE1-CD1 4.37Å; F289-L306 HydrophobicContact CE1-CD2 3.83Å
290	T	98.9	Very high	98.7	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.3	-177.7	-58.7	0	0	0	0	110.3	V125 T126 V270 L271	V125-T290 CarbonylContact O-C 3.59Å; V125-T290 VanDerWaalsContact O-CA 3.22Å; V125-T290 WeakPolarHBondContact O-CA 3.47Å; T126-T290 WeakPolarHBondContact CG2-OG1 3.5Å; T126-T290 WeakPolarHBondContact OG1-CG2 3.23Å; T126-T290 PolarHBondContact OG1-OG1 2.94Å; V270-T290 CarbonylContact C-O 3.46Å; V270-T290 WeakPolarHBondContact CA-O 3.42Å; L271-T290 PolarHBondContact N-O 3.15Å; L271-T290 PolarHBondContact O-N 3.22Å
291	V	98.9	Very high	98.7	Very high	11 Å²	11	46.5 Å²	46.5	7%	0.067	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.3	170.5	-177	0	0	0	0	108.1	S124 V125 V270 F289 V302 L306	S124-V291 VanDerWaalsContact CA-O 3.24Å; S124-V291 WeakPolarHBondContact CA-O 3.43Å; S124-V291 WeakPolarHBondContact CB-O 3.37Å; V125-V291 HydrophobicContact CG1-CB 3.96Å; V125-V291 HydrophobicContact CG1-CG2 4.48Å; V125-V291 PolarHBondContact N-O 2.89Å; V125-V291 VanDerWaalsContact N-O 3.09Å; V125-V291 PolarHBondContact O-N 3.44Å; V270-V291 HydrophobicContact CG1-CB 4.43Å; V270-V291 HydrophobicContact CG1-CG1 4.1Å; V270-V291 HydrophobicContact CG1-CG2 4.05Å; F289-V291 HydrophobicContact CD1-CG2 4.17Å; F289-V291 HydrophobicContact CE1-CG2 3.38Å; F289-V291 HydrophobicContact CZ-CG2 3.77Å; V291-V302 HydrophobicContact CB-CG1 3.98Å; V291-V302 HydrophobicContact CG1-CG1 4.07Å; V291-V302 HydrophobicContact CG2-CG1 4Å; V291-L306 HydrophobicContact CG2-CD1 4.36Å
292	V	98.8	Very high	98.7	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.036	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.4	170.4	-178.3	0	0	0	0	107.9	V118 I263 N268 I269	V118-V292 HydrophobicContact CG1-CG1 4.05Å; V118-V292 HydrophobicContact CG1-CG2 4.17Å; V118-V292 HydrophobicContact CG2-CG1 3.91Å; I263-V292 HydrophobicContact CD1-CG2 4.14Å; I263-V292 HydrophobicContact CG1-CG2 4.49Å; N268-V292 WeakPolarHBondContact CB-O 3.32Å; I269-V292 HydrophobicContact CG1-CB 4.36Å; I269-V292 HydrophobicContact CG1-CG2 3.85Å; I269-V292 PolarHBondContact O-N 3.42Å
293	C	98.8	Very high	98.8	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.014	24%	0.238	C	C	.	.			trans	-110.2	171	-173	-55.3	0	0	0	0	110.6	R123 N268 E298 A299	R123-C293 PolarHBondContact NH1-O 3.48Å; R123-C293 VanDerWaalsContact NH1-O 3.16Å; R123-C293 WeakPolarHBondContact O-CA 3.26Å; R123-C293 WeakPolarHBondContact O-CB 3.49Å; R123-C293 PolarHBondContact O-N 3.5Å; N268-C293 PolarHBondContact OD1-O 2.73Å; C293-E298 HydrophobicContact CB-CB 4.06Å; C293-E298 HydrophobicContact CB-CG 3.91Å; C293-A299 HydrophobicContact CB-CB 4.27Å
294	K	98.1	Very high	98.8	Very high	149 Å²	149	46.7 Å²	46.7	65%	0.648	22%	0.222	S	C	*	.	S	Bend	trans	-61.7	-45.7	171.9	179.2	-172.4	169.4	-169.8	0	112	E298	K294-E298 WeakPolarHBondContact CB-OE2 3.35Å; K294-E298 PolarHBondContact N-OE2 3.08Å
295	D	98.6	Very high	98.8	Very high	59 Å²	59	46.9 Å²	46.9	32%	0.316	22%	0.223	S	C	.	.	S	Bend	trans	-152.7	175.1	-175	56.4	51.1	0	0	0	111.5	E297 E298 A299	D295-E297 VanDerWaalsContact C-N 3.33Å; D295-E297 PolarHBondContact O-N 3.2Å; D295-E297 PolarHBondContact OD1-N 3.14Å; D295-E297 VanDerWaalsContact OD1-N 3.16Å; D295-E298 PolarHBondContact O-N 2.99Å; D295-E298 WeakPolarHBondContact OD1-CB 3.41Å; D295-E298 PolarHBondContact OD1-N 2.94Å; D295-A299 PolarHBondContact O-N 3.08Å; D295-A299 VanDerWaalsContact O-N 3.1Å
296	A	98.8	Very high	98.8	Very high	36 Å²	36	43 Å²	43	30%	0.298	21%	0.208	S	C	.	.	H	α-helix	trans	-67.2	-29.9	-178.6	0	0	0	0	0	113.5	A299 K300	A296-A299 PolarHBondContact O-N 3.07Å; A296-K300 WeakPolarHBondContact O-CG 3.28Å; A296-K300 PolarHBondContact O-N 2.77Å; A296-K300 VanDerWaalsContact O-N 3.08Å
297	E	98.8	Very high	98.8	Very high	112 Å²	112	46.5 Å²	46.5	52%	0.523	22%	0.223	S	C	.	.	H	α-helix	trans	-71.1	-39.4	177.8	-76.3	-56.7	132.6	0	0	111.3	D295 K300 R301	D295-E297 VanDerWaalsContact C-N 3.33Å; D295-E297 PolarHBondContact O-N 3.2Å; D295-E297 PolarHBondContact OD1-N 3.14Å; D295-E297 VanDerWaalsContact OD1-N 3.16Å; E297-K300 PolarHBondContact O-N 3.38Å; E297-K300 IonicContact OE1-NZ 3.35Å; E297-K300 PolarHBondContact OE1-NZ 2.89Å; E297-R301 PolarHBondContact O-N 3.01Å
298	E	98.8	Very high	98.8	Very high	56 Å²	56	51 Å²	51	26%	0.262	25%	0.246	S	C	.	.	H	α-helix	trans	-61.7	-43.3	169.3	-176.3	164.3	-96.1	0	0	112.4	C293 K294 D295 K300 R301 V302	C293-E298 HydrophobicContact CB-CB 4.06Å; C293-E298 HydrophobicContact CB-CG 3.91Å; K294-E298 WeakPolarHBondContact CB-OE2 3.35Å; K294-E298 PolarHBondContact N-OE2 3.08Å; D295-E298 PolarHBondContact O-N 2.99Å; D295-E298 WeakPolarHBondContact OD1-CB 3.41Å; D295-E298 PolarHBondContact OD1-N 2.94Å; E298-K300 VanDerWaalsContact C-N 3.3Å; E298-K300 PolarHBondContact O-N 2.93Å; E298-R301 VanDerWaalsContact CB-NH2 3.34Å; E298-R301 PolarHBondContact O-N 3.45Å; E298-R301 VanDerWaalsContact O-N 3.13Å; E298-R301 IonicContact OE1-NH2 2.63Å; E298-R301 PolarHBondContact OE1-NH2 3Å; E298-V302 HydrophobicContact CG-CG2 4.15Å; E298-V302 WeakPolarHBondContact O-CG2 3.07Å; E298-V302 PolarHBondContact O-N 3.09Å
299	A	98.9	Very high	98.8	Very high	7 Å²	7	51.2 Å²	51.2	6%	0.058	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-40.9	177.1	0	0	0	0	0	112.3	C293 D295 A296 V302 E303	C293-A299 HydrophobicContact CB-CB 4.27Å; D295-A299 PolarHBondContact O-N 3.08Å; D295-A299 VanDerWaalsContact O-N 3.1Å; A296-A299 PolarHBondContact O-N 3.07Å; A299-V302 PolarHBondContact O-N 3.36Å; A299-E303 WeakPolarHBondContact O-CB 3.25Å; A299-E303 PolarHBondContact O-N 3.21Å
300	K	98.9	Very high	98.8	Very high	119 Å²	119	51.2 Å²	51.2	52%	0.517	25%	0.247	S	C	.	.	H	α-helix	trans	-61.8	-43.7	174.8	-70	171	-172	171.9	0	112.6	A296 E297 E298 E303 S304	A296-K300 WeakPolarHBondContact O-CG 3.28Å; A296-K300 PolarHBondContact O-N 2.77Å; A296-K300 VanDerWaalsContact O-N 3.08Å; E297-K300 PolarHBondContact O-N 3.38Å; E297-K300 IonicContact OE1-NZ 3.35Å; E297-K300 PolarHBondContact OE1-NZ 2.89Å; E298-K300 VanDerWaalsContact C-N 3.3Å; E298-K300 PolarHBondContact O-N 2.93Å; K300-E303 PolarHBondContact O-N 3.13Å; K300-S304 PolarHBondContact O-N 2.76Å; K300-S304 VanDerWaalsContact O-N 3.1Å
301	R	98.9	Very high	98.8	Very high	141 Å²	141	58.3 Å²	58.3	53%	0.532	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-46.4	176	-71.8	-175.5	-69.8	104.2	-2.8	110.7	E297 E298 E303 S304 Q305	E297-R301 PolarHBondContact O-N 3.01Å; E298-R301 VanDerWaalsContact CB-NH2 3.34Å; E298-R301 PolarHBondContact O-N 3.45Å; E298-R301 VanDerWaalsContact O-N 3.13Å; E298-R301 IonicContact OE1-NH2 2.63Å; E298-R301 PolarHBondContact OE1-NH2 3Å; R301-E303 PolarHBondContact O-N 2.69Å; R301-S304 PolarHBondContact O-N 3.35Å; R301-S304 PolarHBondContact O-OG 2.69Å; R301-Q305 PolarHBondContact O-N 3.18Å
302	V	98.9	Very high	98.8	Very high	9 Å²	9	62.8 Å²	62.8	6%	0.055	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-46.6	177.4	175.8	0	0	0	0	110.7	V125 Y142 V291 E298 A299 S304 Q305 L306	V125-V302 HydrophobicContact CG1-CB 4.01Å; V125-V302 HydrophobicContact CG1-CG1 3.55Å; Y142-V302 HydrophobicContact CE2-CG1 4.04Å; Y142-V302 WeakPolarHBondContact OH-CG2 3.47Å; V291-V302 HydrophobicContact CB-CG1 3.98Å; V291-V302 HydrophobicContact CG1-CG1 4.07Å; V291-V302 HydrophobicContact CG2-CG1 4Å; E298-V302 HydrophobicContact CG-CG2 4.15Å; E298-V302 WeakPolarHBondContact O-CG2 3.07Å; E298-V302 PolarHBondContact O-N 3.09Å; A299-V302 PolarHBondContact O-N 3.36Å; V302-S304 VanDerWaalsContact C-N 3.34Å; V302-S304 PolarHBondContact O-N 3.49Å; V302-Q305 PolarHBondContact O-N 2.87Å; V302-L306 HydrophobicContact CG1-CD1 3.93Å; V302-L306 HydrophobicContact CG1-CG 4.28Å; V302-L306 WeakPolarHBondContact O-CG 3.37Å; V302-L306 PolarHBondContact O-N 3.42Å
303	E	98.9	Very high	98.8	Very high	76 Å²	76	66.2 Å²	66.2	36%	0.355	32%	0.321	S	S	.	.	H	α-helix	trans	-55.9	-47.5	177.5	-168.9	-165	155.1	0	0	111.9	V125 A299 K300 R301 Q305 L306 K307	V125-E303 HydrophobicContact CB-CB 4.32Å; V125-E303 HydrophobicContact CG2-CB 3.6Å; V125-E303 HydrophobicContact CG2-CG 3.67Å; A299-E303 WeakPolarHBondContact O-CB 3.25Å; A299-E303 PolarHBondContact O-N 3.21Å; K300-E303 PolarHBondContact O-N 3.13Å; R301-E303 PolarHBondContact O-N 2.69Å; E303-Q305 VanDerWaalsContact C-N 3.3Å; E303-Q305 PolarHBondContact O-N 2.83Å; E303-L306 PolarHBondContact O-N 3.49Å; E303-K307 HydrophobicContact CG-CD 3.99Å; E303-K307 WeakPolarHBondContact O-CG 3.22Å; E303-K307 PolarHBondContact O-N 3.29Å; E303-K307 IonicContact OE1-NZ 3.51Å
304	S	98.9	Very high	98.8	Very high	52 Å²	52	68.9 Å²	68.9	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-41	-179.8	70.3	0	0	0	0	112.2	K300 R301 V302 K307 I308	K300-S304 PolarHBondContact O-N 2.76Å; K300-S304 VanDerWaalsContact O-N 3.1Å; R301-S304 PolarHBondContact O-N 3.35Å; R301-S304 PolarHBondContact O-OG 2.69Å; V302-S304 VanDerWaalsContact C-N 3.34Å; V302-S304 PolarHBondContact O-N 3.49Å; S304-K307 PolarHBondContact O-N 3.16Å; S304-I308 WeakPolarHBondContact O-CG1 3.02Å; S304-I308 PolarHBondContact O-N 2.98Å
305	Q	98.9	Very high	98.8	Very high	65 Å²	65	63.9 Å²	63.9	30%	0.304	31%	0.314	S	S	.	.	H	α-helix	trans	-72	-36.3	178	-67.9	-58.9	-22	0	0	112.7	Y142 F146 R301 V302 E303 K307 I308 L309	Y142-Q305 HydrophobicContact CE2-CB 4.37Å; F146-Q305 HydrophobicContact CE1-CG 4.13Å; F146-Q305 HydrophobicContact CE2-CB 3.71Å; F146-Q305 HydrophobicContact CE2-CG 4.21Å; F146-Q305 HydrophobicContact CZ-CB 3.68Å; F146-Q305 HydrophobicContact CZ-CG 3.7Å; R301-Q305 PolarHBondContact O-N 3.18Å; V302-Q305 PolarHBondContact O-N 2.87Å; E303-Q305 VanDerWaalsContact C-N 3.3Å; E303-Q305 PolarHBondContact O-N 2.83Å; Q305-K307 VanDerWaalsContact C-N 3.32Å; Q305-K307 PolarHBondContact O-N 3.44Å; Q305-I308 PolarHBondContact O-N 3.07Å; Q305-L309 WeakPolarHBondContact O-CB 3.42Å; Q305-L309 PolarHBondContact O-N 3.41Å
306	L	98.9	Very high	98.8	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.2	-42.4	171.8	-72.7	172.9	0	0	0	111	V125 V127 I138 Y142 F289 V291 V302 E303 I308 L309 I310	V125-L306 HydrophobicContact CG1-CD1 4.06Å; V125-L306 HydrophobicContact CG2-CD1 4.36Å; V127-L306 HydrophobicContact CG1-CB 4.32Å; V127-L306 HydrophobicContact CG1-CD1 4.21Å; V127-L306 HydrophobicContact CG2-CD1 4.28Å; I138-L306 HydrophobicContact CG2-CD2 3.88Å; Y142-L306 HydrophobicContact CD2-CD2 3.54Å; Y142-L306 HydrophobicContact CD2-CG 4.08Å; Y142-L306 HydrophobicContact CE2-CD2 4.24Å; Y142-L306 HydrophobicContact CE2-CG 4.32Å; Y142-L306 HydrophobicContact CG-CD2 3.96Å; F289-L306 HydrophobicContact CD1-CD1 4.24Å; F289-L306 HydrophobicContact CD1-CD2 3.96Å; F289-L306 HydrophobicContact CE1-CD1 4.37Å; F289-L306 HydrophobicContact CE1-CD2 3.83Å; V291-L306 HydrophobicContact CG2-CD1 4.36Å; V302-L306 HydrophobicContact CG1-CD1 3.93Å; V302-L306 HydrophobicContact CG1-CG 4.28Å; V302-L306 WeakPolarHBondContact O-CG 3.37Å; V302-L306 PolarHBondContact O-N 3.42Å; E303-L306 PolarHBondContact O-N 3.49Å; L306-I308 PolarHBondContact O-N 3.44Å; L306-L309 PolarHBondContact O-N 3.08Å; L306-I310 WeakPolarHBondContact O-CB 3.15Å; L306-I310 WeakPolarHBondContact O-CD1 3.29Å; L306-I310 WeakPolarHBondContact O-CG1 3.49Å; L306-I310 PolarHBondContact O-N 3.32Å
307	K	98.9	Very high	98.8	Very high	75 Å²	75	61 Å²	61	33%	0.326	29%	0.294	S	S	.	.	H	α-helix	trans	-63.1	-41.7	176.1	-69.7	163.8	70.3	172	0	111.8	I97 E303 S304 Q305 L309 I310 R311	I97-K307 HydrophobicContact CB-CB 4.28Å; I97-K307 HydrophobicContact CB-CG 4.15Å; I97-K307 HydrophobicContact CD1-CB 4.46Å; I97-K307 HydrophobicContact CG2-CB 3.86Å; I97-K307 HydrophobicContact CG2-CG 4Å; I97-K307 WeakPolarHBondContact CG2-O 3.3Å; E303-K307 HydrophobicContact CG-CD 3.99Å; E303-K307 WeakPolarHBondContact O-CG 3.22Å; E303-K307 PolarHBondContact O-N 3.29Å; E303-K307 IonicContact OE1-NZ 3.51Å; S304-K307 PolarHBondContact O-N 3.16Å; Q305-K307 VanDerWaalsContact C-N 3.32Å; Q305-K307 PolarHBondContact O-N 3.44Å; K307-L309 VanDerWaalsContact C-N 3.3Å; K307-L309 PolarHBondContact O-N 3.41Å; K307-I310 PolarHBondContact O-N 3.34Å; K307-R311 WeakPolarHBondContact O-CB 3.33Å; K307-R311 PolarHBondContact O-N 2.9Å
308	I	98.9	Very high	98.8	Very high	93 Å²	93	58.2 Å²	58.2	48%	0.477	29%	0.286	S	S	.	.	H	α-helix	trans	-62.2	-38	174.6	-70.4	166.3	0	0	0	111.4	S304 Q305 L306 P312	S304-I308 WeakPolarHBondContact O-CG1 3.02Å; S304-I308 PolarHBondContact O-N 2.98Å; Q305-I308 PolarHBondContact O-N 3.07Å; L306-I308 PolarHBondContact O-N 3.44Å; I308-P312 WeakPolarHBondContact O-CD 3.44Å
309	L	98.7	Very high	98.8	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-71.3	-41.8	176.8	-83.9	168	0	0	0	113	N141 Y142 F146 Q305 L306 K307 P312 I313	N141-L309 HydrophobicContact CB-CD2 4.28Å; Y142-L309 HydrophobicContact CD2-CD1 3.88Å; Y142-L309 HydrophobicContact CG-CD1 4.39Å; F146-L309 HydrophobicContact CD2-CD1 4.48Å; F146-L309 HydrophobicContact CE2-CD1 3.87Å; Q305-L309 WeakPolarHBondContact O-CB 3.42Å; Q305-L309 PolarHBondContact O-N 3.41Å; L306-L309 PolarHBondContact O-N 3.08Å; K307-L309 VanDerWaalsContact C-N 3.3Å; K307-L309 PolarHBondContact O-N 3.41Å; L309-P312 WeakPolarHBondContact O-CD 3.39Å; L309-P312 WeakPolarHBondContact O-CG 3.23Å; L309-I313 VanDerWaalsContact O-CD1 3.29Å; L309-I313 WeakPolarHBondContact O-CD1 3.21Å; L309-I313 VanDerWaalsContact O-CG1 3.27Å; L309-I313 WeakPolarHBondContact O-CG1 3.24Å
310	I	98.9	Very high	98.8	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-70.2	-42.4	-176.1	-72.4	165.5	0	0	0	111.5	I97 V127 I138 L306 K307 I313 Y314	I97-I310 HydrophobicContact CG2-CB 3.84Å; I97-I310 HydrophobicContact CG2-CG2 3.72Å; V127-I310 HydrophobicContact CB-CD1 4.08Å; V127-I310 HydrophobicContact CG1-CD1 4.4Å; V127-I310 HydrophobicContact CG2-CD1 3.86Å; I138-I310 HydrophobicContact CD1-CD1 4.04Å; I138-I310 HydrophobicContact CD1-CG1 3.66Å; I138-I310 HydrophobicContact CG1-CG1 4.09Å; I138-I310 HydrophobicContact CG2-CD1 4.48Å; I138-I310 HydrophobicContact CG2-CG1 4.3Å; L306-I310 WeakPolarHBondContact O-CB 3.15Å; L306-I310 WeakPolarHBondContact O-CD1 3.29Å; L306-I310 WeakPolarHBondContact O-CG1 3.49Å; L306-I310 PolarHBondContact O-N 3.32Å; K307-I310 PolarHBondContact O-N 3.34Å; I310-I313 WeakPolarHBondContact O-CB 3.48Å; I310-I313 PolarHBondContact O-N 3.48Å; I310-Y314 HydrophobicContact CG2-CD2 4.09Å; I310-Y314 HydrophobicContact CG2-CE1 4.35Å; I310-Y314 HydrophobicContact CG2-CE2 3.46Å; I310-Y314 VanDerWaalsContact CG2-CE2 3.46Å; I310-Y314 PolarHBondContact O-N 3.3Å; I310-Y314 VanDerWaalsContact O-N 3.09Å
311	R	98.8	Very high	98.8	Very high	150 Å²	150	54.3 Å²	54.3	57%	0.566	27%	0.272	S	S	*	.	H	α-helix	trans	-52.4	-47	-174.1	-173.8	174.5	-179.2	75.9	-2.6	114.3	I97 K307 I313 S315	I97-R311 HydrophobicContact CD1-CB 4.2Å; I97-R311 HydrophobicContact CD1-CG 4.34Å; K307-R311 WeakPolarHBondContact O-CB 3.33Å; K307-R311 PolarHBondContact O-N 2.9Å; R311-I313 VanDerWaalsContact C-N 3.31Å; R311-I313 PolarHBondContact O-N 2.85Å; R311-S315 WeakPolarHBondContact O-CA 3.49Å; R311-S315 PolarHBondContact O-N 3.37Å
312	P	98.6	Very high	98.8	Very high	106 Å²	106	47.7 Å²	47.7	69%	0.688	25%	0.247	S	C	*	.	H	α-helix	trans	-79	-9.1	177.7	32	-37.8	0	0	0	114.2	I308 L309	I308-P312 WeakPolarHBondContact O-CD 3.44Å; L309-P312 WeakPolarHBondContact O-CD 3.39Å; L309-P312 WeakPolarHBondContact O-CG 3.23Å
313	I	98.2	Very high	98.8	Very high	78 Å²	78	48.7 Å²	48.7	40%	0.4	25%	0.25	S	C	.	.	H	α-helix	trans	-83	-52.4	174.8	-57.3	168.9	0	0	0	109.5	I138 L309 I310 R311	I138-I313 HydrophobicContact CG1-CD1 4.31Å; L309-I313 VanDerWaalsContact O-CD1 3.29Å; L309-I313 WeakPolarHBondContact O-CD1 3.21Å; L309-I313 VanDerWaalsContact O-CG1 3.27Å; L309-I313 WeakPolarHBondContact O-CG1 3.24Å; I310-I313 WeakPolarHBondContact O-CB 3.48Å; I310-I313 PolarHBondContact O-N 3.48Å; R311-I313 VanDerWaalsContact C-N 3.31Å; R311-I313 PolarHBondContact O-N 2.85Å
314	Y	98.7	Very high	98.8	Very high	57 Å²	57	45.1 Å²	45.1	22%	0.224	23%	0.233	C	C	.	.	H	α-helix	trans	-150.7	14.7	-176.6	57.8	-108.2	0	0	0	114.6	Q128 I130 I138 I310 N316 P317	Q128-Y314 PolarHBondContact O-OH 3.05Å; I130-Y314 HydrophobicContact CD1-CD1 4.5Å; I130-Y314 HydrophobicContact CD1-CD2 4.4Å; I130-Y314 HydrophobicContact CD1-CE1 4.33Å; I130-Y314 HydrophobicContact CD1-CE2 4.23Å; I130-Y314 HydrophobicContact CG1-CD1 3.98Å; I130-Y314 HydrophobicContact CG1-CE1 3.74Å; I130-Y314 HydrophobicContact CG1-CG 4.48Å; I138-Y314 HydrophobicContact CD1-CE1 3.92Å; I138-Y314 WeakPolarHBondContact CD1-OH 3.22Å; I310-Y314 HydrophobicContact CG2-CD2 4.09Å; I310-Y314 HydrophobicContact CG2-CE1 4.35Å; I310-Y314 HydrophobicContact CG2-CE2 3.46Å; I310-Y314 VanDerWaalsContact CG2-CE2 3.46Å; I310-Y314 PolarHBondContact O-N 3.3Å; I310-Y314 VanDerWaalsContact O-N 3.09Å; Y314-N316 VanDerWaalsContact C-N 3.26Å; Y314-N316 WeakPolarHBondContact CD2-O 3.49Å; Y314-N316 PolarHBondContact O-N 3.24Å; Y314-P317 HydrophobicContact CE2-CB 3.97Å
315	S	98.7	Very high	98.8	Very high	44 Å²	44	42.6 Å²	42.6	31%	0.308	22%	0.215	S	C	.	.	S	Bend	trans	65.1	-70.2	-177	-165.6	0	0	0	0	114.5	R311	R311-S315 WeakPolarHBondContact O-CA 3.49Å; R311-S315 PolarHBondContact O-N 3.37Å
316	N	98.8	Very high	98.8	Very high	31 Å²	31	39.6 Å²	39.6	17%	0.166	20%	0.202	C	C	.	.	S	Bend	trans	-149.9	151.8	-179.5	56.4	83.8	0	0	0	110.4	Y94 L95 Y314	Y94-N316 WeakPolarHBondContact CD1-ND2 3.38Å; Y94-N316 WeakPolarHBondContact CD1-OD1 3.36Å; L95-N316 VanDerWaalsContact O-CB 3.26Å; L95-N316 WeakPolarHBondContact O-CB 3.32Å; Y314-N316 VanDerWaalsContact C-N 3.26Å; Y314-N316 WeakPolarHBondContact CD2-O 3.49Å; Y314-N316 PolarHBondContact O-N 3.24Å
317	P	98.8	Very high	98.8	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.019	21%	0.208	C	C	.	.			trans	-80.6	164.3	-171.3	33.5	-36	0	0	0	112.9	L95 Q128 I130 Y314	L95-P317 HydrophobicContact CD1-CG 4.42Å; Q128-P317 HydrophobicContact CB-CB 4.38Å; Q128-P317 HydrophobicContact CB-CG 3.87Å; Q128-P317 HydrophobicContact CG-CB 3.88Å; Q128-P317 HydrophobicContact CG-CG 3.81Å; I130-P317 HydrophobicContact CD1-CB 4.38Å; Y314-P317 HydrophobicContact CE2-CB 3.97Å
318	P	98.8	Very high	98.8	Very high	55 Å²	55	37 Å²	37	36%	0.357	19%	0.192	S	C	.	.			trans	-71	140.9	-177.2	28.8	-35.8	0	0	0	112.6	Q128 I130	Q128-P318 PolarHBondContact NE2-O 2.9Å; I130-P318 HydrophobicContact CD1-CG 4.05Å
319	I	98.5	Very high	98.7	Very high	32 Å²	32	33 Å²	33	16%	0.164	17%	0.172	C	C	.	.	S	Bend	trans	-87.4	-31.7	-170.5	-164.9	163.7	0	0	0	115.1	L95 A322 R323	L95-I319 HydrophobicContact CD1-CB 3.9Å; L95-I319 HydrophobicContact CD1-CD1 4.41Å; L95-I319 HydrophobicContact CD1-CG1 3.94Å; L95-I319 HydrophobicContact CD2-CD1 3.57Å; L95-I319 HydrophobicContact CD2-CG1 3.91Å; L95-I319 HydrophobicContact CG-CB 4.06Å; L95-I319 HydrophobicContact CG-CD1 3.84Å; L95-I319 HydrophobicContact CG-CG1 3.93Å; I319-A322 PolarHBondContact O-N 2.77Å; I319-R323 VanDerWaalsContact CD1-NH2 3.25Å; I319-R323 HydrophobicContact CG1-CG 3.96Å; I319-R323 PolarHBondContact O-N 3.32Å
320	N	98.8	Very high	98.7	Very high	67 Å²	67	36.4 Å²	36.4	36%	0.358	19%	0.19	S	C	.	.	H	α-helix	trans	-60.7	-62.7	-167.3	-173	66.2	0	0	0	112.7	E284 A322 R323 I324	E284-N320 PolarHBondContact OE1-ND2 3.38Å; E284-N320 VanDerWaalsContact OE1-ND2 3.16Å; E284-N320 PolarHBondContact OE2-ND2 2.91Å; N320-A322 VanDerWaalsContact C-N 3.26Å; N320-A322 PolarHBondContact O-N 2.92Å; N320-R323 PolarHBondContact O-N 3.3Å; N320-R323 VanDerWaalsContact O-N 3.16Å; N320-I324 PolarHBondContact O-N 3.45Å; N320-I324 VanDerWaalsContact O-N 3.08Å
321	G	98.8	Very high	98.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-61.5	-31	178.3	0	0	0	0	0	114.5	E284 I324 A325	E284-G321 PolarHBondContact OE2-N 2.87Å; G321-I324 PolarHBondContact O-N 3Å; G321-A325 WeakPolarHBondContact O-CB 3.47Å; G321-A325 PolarHBondContact O-N 3.47Å
322	A	98.9	Very high	98.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-67.2	-39.9	175.9	0	0	0	0	0	112.1	F100 F103 I319 N320 A325 A326	F100-A322 HydrophobicContact CB-CB 4.33Å; F103-A322 HydrophobicContact CB-CB 4.17Å; F103-A322 HydrophobicContact CD1-CB 4.21Å; F103-A322 HydrophobicContact CG-CB 4.03Å; I319-A322 PolarHBondContact O-N 2.77Å; N320-A322 VanDerWaalsContact C-N 3.26Å; N320-A322 PolarHBondContact O-N 2.92Å; A322-A325 PolarHBondContact O-N 2.92Å; A322-A326 VanDerWaalsContact O-CB 3.24Å; A322-A326 WeakPolarHBondContact O-CB 3.38Å; A322-A326 PolarHBondContact O-N 3.5Å
323	R	98.8	Very high	98.7	Very high	31 Å²	31	37.8 Å²	37.8	12%	0.117	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-39.7	172.3	-76.1	178.7	173.3	163.1	-1.1	111.5	M85 D91 F100 I319 N320 T327	M85-R323 HydrophobicContact CE-CB 3.36Å; M85-R323 HydrophobicContact CE-CG 4.37Å; M85-R323 HydrophobicContact SD-CB 3.61Å; D91-R323 PolarHBondContact O-NH1 2.95Å; D91-R323 PolarHBondContact O-NH2 3.46Å; D91-R323 IonicContact OD1-NH2 2.97Å; F100-R323 HydrophobicContact CD1-CG 4.38Å; F100-R323 HydrophobicContact CE1-CG 4.14Å; I319-R323 VanDerWaalsContact CD1-NH2 3.25Å; I319-R323 HydrophobicContact CG1-CG 3.96Å; I319-R323 PolarHBondContact O-N 3.32Å; N320-R323 PolarHBondContact O-N 3.3Å; N320-R323 VanDerWaalsContact O-N 3.16Å; R323-T327 VanDerWaalsContact O-CB 3.23Å; R323-T327 WeakPolarHBondContact O-CB 3.43Å; R323-T327 PolarHBondContact O-N 2.96Å; R323-T327 PolarHBondContact O-OG1 3.4Å
324	I	98.9	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-53.7	175.1	-65.9	170.2	0	0	0	110	V78 A81 E82 M85 L281 N320 G321 A326 T327 I328	V78-I324 HydrophobicContact CB-CG2 4.48Å; V78-I324 HydrophobicContact CG1-CG2 4.1Å; V78-I324 HydrophobicContact CG2-CG2 4.27Å; A81-I324 HydrophobicContact CB-CG2 4.14Å; E82-I324 HydrophobicContact CG-CD1 3.77Å; E82-I324 HydrophobicContact CG-CG1 4.24Å; M85-I324 HydrophobicContact CE-CG1 4.04Å; M85-I324 HydrophobicContact SD-CB 4.24Å; M85-I324 HydrophobicContact SD-CG1 3.55Å; M85-I324 VanDerWaalsContact SD-CG1 3.55Å; M85-I324 PolarHBondContact SD-N 3.39Å; M85-I324 VanDerWaalsContact SD-N 3.35Å; L281-I324 HydrophobicContact CD1-CB 4.45Å; L281-I324 HydrophobicContact CD1-CG2 4.11Å; L281-I324 HydrophobicContact CD2-CD1 4.48Å; L281-I324 HydrophobicContact CD2-CG2 4.18Å; N320-I324 PolarHBondContact O-N 3.45Å; N320-I324 VanDerWaalsContact O-N 3.08Å; G321-I324 PolarHBondContact O-N 3Å; I324-A326 PolarHBondContact O-N 3.12Å; I324-T327 PolarHBondContact O-N 3.41Å; I324-I328 HydrophobicContact CG2-CD1 3.81Å; I324-I328 WeakPolarHBondContact O-CG1 3.5Å; I324-I328 PolarHBondContact O-N 3.49Å
325	A	98.9	Very high	98.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-44.1	-178.9	0	0	0	0	0	112.2	F103 M279 L281 V286 G321 A322 I328 L329	F103-A325 HydrophobicContact CD2-CB 3.74Å; F103-A325 HydrophobicContact CE2-CB 3.74Å; M279-A325 HydrophobicContact CE-CB 4.26Å; M279-A325 HydrophobicContact SD-CB 3.69Å; L281-A325 HydrophobicContact CD1-CB 4.43Å; V286-A325 HydrophobicContact CG1-CB 4.14Å; G321-A325 WeakPolarHBondContact O-CB 3.47Å; G321-A325 PolarHBondContact O-N 3.47Å; A322-A325 PolarHBondContact O-N 2.92Å; A325-I328 PolarHBondContact O-N 2.91Å; A325-L329 WeakPolarHBondContact O-CB 3.36Å; A325-L329 VanDerWaalsContact O-CG 3.23Å; A325-L329 WeakPolarHBondContact O-CG 3.36Å; A325-L329 PolarHBondContact O-N 3.43Å
326	A	98.8	Very high	98.7	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-44.2	175.1	0	0	0	0	0	111.8	F100 E102 F103 A322 I324 I328 L329 N330	F100-A326 HydrophobicContact CD1-CB 4.08Å; F100-A326 HydrophobicContact CE1-CB 3.81Å; E102-A326 HydrophobicContact CB-CB 4.26Å; F103-A326 HydrophobicContact CB-CB 4.06Å; A322-A326 VanDerWaalsContact O-CB 3.24Å; A322-A326 WeakPolarHBondContact O-CB 3.38Å; A322-A326 PolarHBondContact O-N 3.5Å; I324-A326 PolarHBondContact O-N 3.12Å; A326-I328 VanDerWaalsContact C-N 3.34Å; A326-I328 PolarHBondContact O-N 3.23Å; A326-L329 PolarHBondContact O-N 3.06Å; A326-N330 WeakPolarHBondContact O-CB 3.45Å; A326-N330 PolarHBondContact O-N 3.29Å; A326-N330 PolarHBondContact O-ND2 3.42Å; A326-N330 VanDerWaalsContact O-ND2 3.15Å
327	T	98.8	Very high	98.7	Very high	21 Å²	21	36.7 Å²	36.7	13%	0.129	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-45.1	178.3	-61.2	0	0	0	0	110.9	A81 L84 R323 I324 T331 L334	A81-T327 HydrophobicContact CB-CG2 3.92Å; L84-T327 HydrophobicContact CD2-CG2 3.84Å; R323-T327 VanDerWaalsContact O-CB 3.23Å; R323-T327 WeakPolarHBondContact O-CB 3.43Å; R323-T327 PolarHBondContact O-N 2.96Å; R323-T327 PolarHBondContact O-OG1 3.4Å; I324-T327 PolarHBondContact O-N 3.41Å; T327-T331 WeakPolarHBondContact O-CB 3.32Å; T327-T331 PolarHBondContact O-N 2.91Å; T327-T331 PolarHBondContact O-OG1 3.32Å; T327-L334 HydrophobicContact CG2-CD1 3.88Å
328	I	98.9	Very high	98.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-52.6	177	-67.5	164.1	0	0	0	110.7	V78 A81 M279 I324 A325 A326 N330 T331 R335 W338	V78-I328 HydrophobicContact CG2-CD1 3.8Å; A81-I328 HydrophobicContact CB-CD1 4.33Å; A81-I328 HydrophobicContact CB-CG1 3.84Å; M279-I328 HydrophobicContact CE-CG2 4.27Å; M279-I328 HydrophobicContact SD-CD1 4.34Å; I324-I328 HydrophobicContact CG2-CD1 3.81Å; I324-I328 WeakPolarHBondContact O-CG1 3.5Å; I324-I328 PolarHBondContact O-N 3.49Å; A325-I328 PolarHBondContact O-N 2.91Å; A326-I328 VanDerWaalsContact C-N 3.34Å; A326-I328 PolarHBondContact O-N 3.23Å; I328-N330 VanDerWaalsContact C-N 3.32Å; I328-N330 PolarHBondContact O-N 3.4Å; I328-T331 PolarHBondContact O-N 2.97Å; I328-R335 WeakPolarHBondContact O-CA 3.37Å; I328-R335 WeakPolarHBondContact O-CB 3.36Å; I328-R335 PolarHBondContact O-N 3.49Å; I328-W338 HydrophobicContact CG2-CB 3.56Å; I328-W338 HydrophobicContact CG2-CD2 4.21Å; I328-W338 HydrophobicContact CG2-CE3 4.49Å; I328-W338 HydrophobicContact CG2-CG 3.8Å
329	L	98.8	Very high	98.7	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-69.1	-29.6	-171.7	-67.6	169.5	0	0	0	113.4	A106 L110 F275 M279 A325 A326 W338	A106-L329 HydrophobicContact CB-CB 3.8Å; A106-L329 HydrophobicContact CB-CD1 3.77Å; A106-L329 HydrophobicContact CB-CG 4.44Å; L110-L329 HydrophobicContact CD2-CD2 4.29Å; F275-L329 HydrophobicContact CE1-CD1 4.06Å; F275-L329 HydrophobicContact CZ-CD1 4.31Å; M279-L329 HydrophobicContact CE-CD1 3.97Å; M279-L329 HydrophobicContact CE-CD2 3.71Å; M279-L329 HydrophobicContact CE-CG 3.66Å; A325-L329 WeakPolarHBondContact O-CB 3.36Å; A325-L329 VanDerWaalsContact O-CG 3.23Å; A325-L329 WeakPolarHBondContact O-CG 3.36Å; A325-L329 PolarHBondContact O-N 3.43Å; A326-L329 PolarHBondContact O-N 3.06Å; L329-W338 HydrophobicContact CD2-CE3 4.01Å; L329-W338 HydrophobicContact CD2-CH2 3.96Å; L329-W338 HydrophobicContact CD2-CZ3 3.53Å
330	N	98.5	Very high	98.8	Very high	77 Å²	77	41 Å²	41	41%	0.412	22%	0.22	S	C	.	.	H	α-helix	trans	-99.4	-1.8	-176.2	-61.2	-36.4	0	0	0	113.6	E102 A326 I328	E102-N330 PolarHBondContact O-ND2 3.1Å; A326-N330 WeakPolarHBondContact O-CB 3.45Å; A326-N330 PolarHBondContact O-N 3.29Å; A326-N330 PolarHBondContact O-ND2 3.42Å; A326-N330 VanDerWaalsContact O-ND2 3.15Å; I328-N330 VanDerWaalsContact C-N 3.32Å; I328-N330 PolarHBondContact O-N 3.4Å
331	T	98.5	Very high	98.7	Very high	47 Å²	47	39 Å²	39	29%	0.288	21%	0.209	S	C	.	.	S	Bend	trans	-108.8	111.2	174.6	-53.8	0	0	0	0	108.8	T327 I328 D333 L334 R335	T327-T331 WeakPolarHBondContact O-CB 3.32Å; T327-T331 PolarHBondContact O-N 2.91Å; T327-T331 PolarHBondContact O-OG1 3.32Å; I328-T331 PolarHBondContact O-N 2.97Å; T331-D333 VanDerWaalsContact C-N 3.33Å; T331-D333 PolarHBondContact O-N 3.12Å; T331-L334 HydrophobicContact CG2-CB 4.32Å; T331-L334 HydrophobicContact CG2-CD1 4.13Å; T331-L334 HydrophobicContact CG2-CG 4Å; T331-L334 PolarHBondContact O-N 3.26Å; T331-L334 VanDerWaalsContact O-N 3.08Å; T331-R335 WeakPolarHBondContact O-CB 3.24Å; T331-R335 PolarHBondContact O-N 3.43Å
332	P	98.4	Very high	98.7	Very high	104 Å²	104	39 Å²	39	68%	0.675	21%	0.209	S	C	*	.	H	α-helix	trans	-49.7	-47.2	-173.2	-31.3	36.4	0	0	0	114.4	L334 R335 S336	P332-L334 PolarHBondContact O-N 3.12Å; P332-R335 PolarHBondContact O-N 3.34Å; P332-S336 PolarHBondContact O-N 2.98Å
333	D	98.6	Very high	98.7	Very high	134 Å²	134	43.1 Å²	43.1	72%	0.717	23%	0.228	S	C	*	.	H	α-helix	trans	-65.9	-40.3	-178.9	-60.6	-14.6	0	0	0	112.7	T331 S336 L337	T331-D333 VanDerWaalsContact C-N 3.33Å; T331-D333 PolarHBondContact O-N 3.12Å; D333-S336 PolarHBondContact O-N 3.26Å; D333-L337 WeakPolarHBondContact O-CB 3.36Å; D333-L337 PolarHBondContact O-N 3.35Å
334	L	98.8	Very high	98.7	Very high	18 Å²	18	43.4 Å²	43.4	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-71.9	-34.2	176.9	-65	178.9	0	0	0	111.6	K80 A81 T327 T331 P332 W338	K80-L334 HydrophobicContact CB-CD2 3.7Å; K80-L334 HydrophobicContact CD-CD2 4.01Å; A81-L334 HydrophobicContact CB-CD1 4.39Å; T327-L334 HydrophobicContact CG2-CD1 3.88Å; T331-L334 HydrophobicContact CG2-CB 4.32Å; T331-L334 HydrophobicContact CG2-CD1 4.13Å; T331-L334 HydrophobicContact CG2-CG 4Å; T331-L334 PolarHBondContact O-N 3.26Å; T331-L334 VanDerWaalsContact O-N 3.08Å; P332-L334 PolarHBondContact O-N 3.12Å; L334-W338 VanDerWaalsContact O-CB 3.26Å; L334-W338 WeakPolarHBondContact O-CB 3.31Å; L334-W338 PolarHBondContact O-N 2.92Å
335	R	98.8	Very high	98.7	Very high	72 Å²	72	43.6 Å²	43.6	27%	0.272	24%	0.241	S	C	.	.	H	α-helix	trans	-64.4	-45.3	174.1	-172.9	-175.6	176.8	88.6	5.9	110.5	I328 T331 P332 W338 L339	I328-R335 WeakPolarHBondContact O-CA 3.37Å; I328-R335 WeakPolarHBondContact O-CB 3.36Å; I328-R335 PolarHBondContact O-N 3.49Å; T331-R335 WeakPolarHBondContact O-CB 3.24Å; T331-R335 PolarHBondContact O-N 3.43Å; P332-R335 PolarHBondContact O-N 3.34Å; R335-W338 HydrophobicContact CG-CE3 4.32Å; R335-W338 PolarHBondContact O-N 3.16Å; R335-L339 HydrophobicContact CG-CD1 4.42Å; R335-L339 WeakPolarHBondContact O-CG 3.1Å; R335-L339 PolarHBondContact O-N 2.92Å
336	S	98.8	Very high	98.6	Very high	60 Å²	60	43.6 Å²	43.6	42%	0.42	24%	0.242	S	C	.	.	H	α-helix	trans	-59.4	-50.7	176.3	-165.6	0	0	0	0	111	P332 D333 W338 L339 E340	P332-S336 PolarHBondContact O-N 2.98Å; D333-S336 PolarHBondContact O-N 3.26Å; S336-W338 VanDerWaalsContact C-N 3.3Å; S336-W338 PolarHBondContact O-N 3.34Å; S336-L339 PolarHBondContact O-N 3.32Å; S336-L339 VanDerWaalsContact O-N 3.14Å; S336-E340 WeakPolarHBondContact O-CG 3.31Å; S336-E340 PolarHBondContact O-N 3.47Å
337	L	98.9	Very high	98.6	Very high	36 Å²	36	46.8 Å²	46.8	19%	0.188	26%	0.259	C	S	.	.	H	α-helix	trans	-58.5	-41.9	176.9	178.9	60.5	0	0	0	112.1	C77 K80 D333 L339 E340 E341	C77-L337 HydrophobicContact CB-CB 4.4Å; C77-L337 HydrophobicContact CB-CD2 4.06Å; C77-L337 HydrophobicContact CB-CG 4.05Å; K80-L337 HydrophobicContact CD-CD2 3.9Å; D333-L337 WeakPolarHBondContact O-CB 3.36Å; D333-L337 PolarHBondContact O-N 3.35Å; L337-L339 PolarHBondContact O-N 3Å; L337-E340 PolarHBondContact O-N 3.24Å; L337-E341 HydrophobicContact CD1-CG 4.19Å; L337-E341 HydrophobicContact CG-CG 4.48Å; L337-E341 WeakPolarHBondContact O-CB 3.5Å; L337-E341 WeakPolarHBondContact O-CG 3.47Å; L337-E341 PolarHBondContact O-N 2.96Å
338	W	98.9	Very high	98.6	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-43.4	176.7	169	57.1	0	0	0	112.4	C77 L110 I252 N278 M279 I328 L329 L334 R335 S336 E340 E341 V342	C77-W338 HydrophobicContact CB-CB 4.08Å; L110-W338 HydrophobicContact CD1-CH2 3.7Å; L110-W338 HydrophobicContact CD1-CZ3 4.08Å; L110-W338 HydrophobicContact CD2-CH2 3.75Å; L110-W338 HydrophobicContact CD2-CZ2 4.46Å; L110-W338 HydrophobicContact CG-CH2 4.4Å; I252-W338 HydrophobicContact CG2-CH2 4.21Å; N278-W338 HydrophobicContact CB-CZ2 4.38Å; N278-W338 PolarHBondContact O-NE1 3.08Å; M279-W338 HydrophobicContact CE-CD2 4.27Å; M279-W338 HydrophobicContact CE-CH2 4.45Å; M279-W338 HydrophobicContact CE-CZ2 4.03Å; M279-W338 HydrophobicContact CG-CZ2 4.39Å; I328-W338 HydrophobicContact CG2-CB 3.56Å; I328-W338 HydrophobicContact CG2-CD2 4.21Å; I328-W338 HydrophobicContact CG2-CE3 4.49Å; I328-W338 HydrophobicContact CG2-CG 3.8Å; L329-W338 HydrophobicContact CD2-CE3 4.01Å; L329-W338 HydrophobicContact CD2-CH2 3.96Å; L329-W338 HydrophobicContact CD2-CZ3 3.53Å; L334-W338 VanDerWaalsContact O-CB 3.26Å; L334-W338 WeakPolarHBondContact O-CB 3.31Å; L334-W338 PolarHBondContact O-N 2.92Å; R335-W338 HydrophobicContact CG-CE3 4.32Å; R335-W338 PolarHBondContact O-N 3.16Å; S336-W338 VanDerWaalsContact C-N 3.3Å; S336-W338 PolarHBondContact O-N 3.34Å; W338-E340 VanDerWaalsContact C-N 3.35Å; W338-E341 PolarHBondContact O-N 3.45Å; W338-V342 HydrophobicContact CG-CG2 4.45Å; W338-V342 HydrophobicContact CZ2-CG2 4.33Å; W338-V342 WeakPolarHBondContact O-CB 3.37Å; W338-V342 VanDerWaalsContact O-CG2 3.3Å; W338-V342 WeakPolarHBondContact O-CG2 3.3Å; W338-V342 PolarHBondContact O-N 3.24Å
339	L	98.8	Very high	98.6	Very high	58 Å²	58	47.2 Å²	47.2	30%	0.304	26%	0.258	S	S	.	.	H	α-helix	trans	-62.6	-42.5	177.4	-69.2	171	0	0	0	111.5	I252 R335 S336 L337 V342 H343	I252-L339 HydrophobicContact CD1-CD2 3.8Å; I252-L339 HydrophobicContact CG1-CD2 3.96Å; I252-L339 HydrophobicContact CG2-CD2 3.77Å; R335-L339 HydrophobicContact CG-CD1 4.42Å; R335-L339 WeakPolarHBondContact O-CG 3.1Å; R335-L339 PolarHBondContact O-N 2.92Å; S336-L339 PolarHBondContact O-N 3.32Å; S336-L339 VanDerWaalsContact O-N 3.14Å; L337-L339 PolarHBondContact O-N 3Å; L339-V342 PolarHBondContact O-N 2.88Å; L339-H343 VanDerWaalsContact O-CB 3.29Å; L339-H343 WeakPolarHBondContact O-CB 3.48Å; L339-H343 PolarHBondContact O-N 3.35Å
340	E	98.8	Very high	98.5	Very high	122 Å²	122	49.8 Å²	49.8	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-60.8	-46.3	174.2	-69.7	168.4	-156.3	0	0	112	S336 L337 W338 H343 G344	S336-E340 WeakPolarHBondContact O-CG 3.31Å; S336-E340 PolarHBondContact O-N 3.47Å; L337-E340 PolarHBondContact O-N 3.24Å; W338-E340 VanDerWaalsContact C-N 3.35Å; E340-H343 PolarHBondContact O-N 2.69Å; E340-G344 PolarHBondContact O-N 3.32Å
341	E	98.6	Very high	98.5	Very high	25 Å²	25	51.5 Å²	51.5	12%	0.117	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-40.2	179.7	-71.5	-175.3	129	0	0	112	L75 S76 C77 L337 W338 G344 M345	L75-E341 WeakPolarHBondContact CB-OE2 3.41Å; L75-E341 HydrophobicContact CD2-CB 3.98Å; L75-E341 HydrophobicContact CG-CB 4.21Å; S76-E341 WeakPolarHBondContact CA-OE1 3.45Å; S76-E341 WeakPolarHBondContact CB-OE1 3.37Å; S76-E341 PolarHBondContact N-OE1 2.88Å; S76-E341 PolarHBondContact N-OE2 2.87Å; S76-E341 PolarHBondContact OG-OE1 3.46Å; C77-E341 WeakPolarHBondContact CB-OE2 3.12Å; C77-E341 PolarHBondContact N-OE2 2.97Å; C77-E341 PolarHBondContact SG-OE2 3Å; C77-E341 VanDerWaalsContact SG-OE2 3.42Å; L337-E341 HydrophobicContact CD1-CG 4.19Å; L337-E341 HydrophobicContact CG-CG 4.48Å; L337-E341 WeakPolarHBondContact O-CB 3.5Å; L337-E341 WeakPolarHBondContact O-CG 3.47Å; L337-E341 PolarHBondContact O-N 2.96Å; W338-E341 PolarHBondContact O-N 3.45Å; E341-G344 PolarHBondContact O-N 3.34Å; E341-M345 WeakPolarHBondContact O-CG 3.29Å; E341-M345 PolarHBondContact O-N 2.93Å
342	V	98.3	Very high	98.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-45.3	173.9	168.7	0	0	0	0	111.6	G246 N278 W338 L339 G344 M345 A346	G246-V342 WeakPolarHBondContact O-CG1 3.45Å; N278-V342 HydrophobicContact CB-CG2 4.45Å; N278-V342 WeakPolarHBondContact O-CG2 3.37Å; W338-V342 HydrophobicContact CG-CG2 4.45Å; W338-V342 HydrophobicContact CZ2-CG2 4.33Å; W338-V342 WeakPolarHBondContact O-CB 3.37Å; W338-V342 VanDerWaalsContact O-CG2 3.3Å; W338-V342 WeakPolarHBondContact O-CG2 3.3Å; W338-V342 PolarHBondContact O-N 3.24Å; L339-V342 PolarHBondContact O-N 2.88Å; V342-G344 VanDerWaalsContact C-N 3.32Å; V342-G344 PolarHBondContact O-N 3.49Å; V342-M345 HydrophobicContact CB-CE 4.39Å; V342-M345 HydrophobicContact CG2-CE 3.9Å; V342-M345 PolarHBondContact O-N 3.36Å; V342-A346 PolarHBondContact O-N 3.33Å
343	H	98.6	Very high	98.6	Very high	88 Å²	88	44.8 Å²	44.8	41%	0.407	23%	0.231	S	C	.	.	H	α-helix	trans	-58.7	-44.5	175.2	-175.8	76.8	0	0	0	111.4	G250 L339 E340 M345 A346 N347	G250-H343 PolarHBondContact O-ND1 2.9Å; L339-H343 VanDerWaalsContact O-CB 3.29Å; L339-H343 WeakPolarHBondContact O-CB 3.48Å; L339-H343 PolarHBondContact O-N 3.35Å; E340-H343 PolarHBondContact O-N 2.69Å; H343-M345 PolarHBondContact O-N 3.04Å; H343-A346 PolarHBondContact O-N 3.29Å; H343-N347 PolarHBondContact CD2-ND2 2.7Å; H343-N347 PolarHBondContact NE2-ND2 3.21Å; H343-N347 WeakPolarHBondContact O-CB 3.15Å; H343-N347 PolarHBondContact O-N 3.42Å
344	G	98.5	Very high	98.6	Very high	38 Å²	38	43.3 Å²	43.3	39%	0.392	22%	0.22	S	C	.	.	H	α-helix	trans	-60.3	-42.9	174.9	0	0	0	0	0	113.5	E340 E341 V342 R348	E340-G344 PolarHBondContact O-N 3.32Å; E341-G344 PolarHBondContact O-N 3.34Å; V342-G344 VanDerWaalsContact C-N 3.32Å; V342-G344 PolarHBondContact O-N 3.49Å; G344-R348 PolarHBondContact O-N 3.05Å; G344-R348 VanDerWaalsContact O-N 3.08Å
345	M	98.6	Very high	98.6	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-46.2	175.4	-69.8	-169.2	-67.9	0	0	111.9	Y65 F73 L75 F247 E341 V342 H343 R348 I349	Y65-M345 HydrophobicContact CD1-CG 4.08Å; Y65-M345 HydrophobicContact CD1-SD 3.67Å; Y65-M345 HydrophobicContact CD2-CB 4.36Å; Y65-M345 HydrophobicContact CD2-CG 4.49Å; Y65-M345 HydrophobicContact CE1-CB 4.38Å; Y65-M345 HydrophobicContact CE1-CG 3.64Å; Y65-M345 HydrophobicContact CE1-SD 3.84Å; Y65-M345 HydrophobicContact CE2-CB 3.89Å; Y65-M345 HydrophobicContact CE2-CG 4.06Å; Y65-M345 HydrophobicContact CG-CG 4.49Å; Y65-M345 HydrophobicContact CG-SD 4.04Å; F73-M345 HydrophobicContact CD1-CG 4.45Å; F73-M345 HydrophobicContact CD1-SD 4.07Å; F73-M345 HydrophobicContact CE1-CG 4.3Å; F73-M345 HydrophobicContact CE1-SD 4.27Å; L75-M345 HydrophobicContact CD1-CE 4.04Å; L75-M345 HydrophobicContact CD1-SD 4.01Å; L75-M345 HydrophobicContact CD2-CE 4.05Å; L75-M345 HydrophobicContact CG-CE 4.41Å; F247-M345 HydrophobicContact CD2-CB 4.3Å; F247-M345 HydrophobicContact CD2-CE 4.12Å; F247-M345 HydrophobicContact CD2-SD 4.43Å; F247-M345 HydrophobicContact CE2-CB 4.07Å; F247-M345 HydrophobicContact CE2-CE 4.46Å; F247-M345 HydrophobicContact CE2-SD 4.18Å; E341-M345 WeakPolarHBondContact O-CG 3.29Å; E341-M345 PolarHBondContact O-N 2.93Å; V342-M345 HydrophobicContact CB-CE 4.39Å; V342-M345 HydrophobicContact CG2-CE 3.9Å; V342-M345 PolarHBondContact O-N 3.36Å; H343-M345 PolarHBondContact O-N 3.04Å; M345-R348 PolarHBondContact O-N 2.88Å; M345-I349 WeakPolarHBondContact O-CG1 3.44Å; M345-I349 PolarHBondContact O-N 2.99Å
346	A	98.2	Very high	98.6	Very high	1 Å²	1	42 Å²	42	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-47.1	179.1	0	0	0	0	0	111.6	G250 V342 H343 R348 I349 I350	G250-A346 VanDerWaalsContact CA-CB 3.49Å; G250-A346 VanDerWaalsContact N-CB 3.28Å; V342-A346 PolarHBondContact O-N 3.33Å; H343-A346 PolarHBondContact O-N 3.29Å; A346-R348 VanDerWaalsContact C-N 3.28Å; A346-R348 PolarHBondContact O-N 2.85Å; A346-I349 WeakPolarHBondContact O-CB 3.4Å; A346-I349 PolarHBondContact O-N 3.34Å; A346-I350 WeakPolarHBondContact O-CG1 3.35Å; A346-I350 PolarHBondContact O-N 3.03Å
347	N	98.3	Very high	98.5	Very high	69 Å²	69	40.7 Å²	40.7	37%	0.369	21%	0.206	S	C	.	.	H	α-helix	trans	-59.2	-38	177.9	-77.5	-12.7	0	0	0	112.8	H343 I349 I350 K351	H343-N347 PolarHBondContact CD2-ND2 2.7Å; H343-N347 PolarHBondContact NE2-ND2 3.21Å; H343-N347 WeakPolarHBondContact O-CB 3.15Å; H343-N347 PolarHBondContact O-N 3.42Å; N347-I349 VanDerWaalsContact C-N 3.34Å; N347-I349 PolarHBondContact O-N 3.01Å; N347-I350 PolarHBondContact O-N 3.45Å; N347-K351 WeakPolarHBondContact O-CB 3.37Å; N347-K351 PolarHBondContact O-N 2.82Å
348	R	98.1	Very high	98.5	Very high	26 Å²	26	41.2 Å²	41.2	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-45.9	175	-166.9	-162.7	69.1	79.1	-12.1	111	Y65 R66 G344 M345 A346 K351 M352 A409 V411	Y65-R348 WeakPolarHBondContact OH-CD 3.29Å; Y65-R348 PolarHBondContact OH-NE 3.19Å; Y65-R348 VanDerWaalsContact OH-NE 3.08Å; R66-R348 PolarHBondContact O-NE 3.09Å; R66-R348 PolarHBondContact O-NH2 3.15Å; G344-R348 PolarHBondContact O-N 3.05Å; G344-R348 VanDerWaalsContact O-N 3.08Å; M345-R348 PolarHBondContact O-N 2.88Å; A346-R348 VanDerWaalsContact C-N 3.28Å; A346-R348 PolarHBondContact O-N 2.85Å; R348-K351 PolarHBondContact O-N 2.9Å; R348-M352 VanDerWaalsContact NH1-CG 3.3Å; R348-M352 WeakPolarHBondContact O-CG 3.25Å; R348-M352 PolarHBondContact O-N 3.37Å; R348-A409 PolarHBondContact NH2-O 3.07Å; R348-V411 PolarHBondContact NH1-O 2.57Å
349	I	98.3	Very high	98.5	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-62	-44.5	178.9	-64.9	-65.9	0	0	0	111.1	Y65 F247 M345 A346 N347 M352 R353 G377 M408 A409	Y65-I349 HydrophobicContact CD2-CD1 4.32Å; Y65-I349 HydrophobicContact CD2-CG1 4.47Å; Y65-I349 HydrophobicContact CE2-CD1 4.33Å; Y65-I349 HydrophobicContact CE2-CG1 4.32Å; F247-I349 HydrophobicContact CZ-CG1 4.49Å; M345-I349 WeakPolarHBondContact O-CG1 3.44Å; M345-I349 PolarHBondContact O-N 2.99Å; A346-I349 WeakPolarHBondContact O-CB 3.4Å; A346-I349 PolarHBondContact O-N 3.34Å; N347-I349 VanDerWaalsContact C-N 3.34Å; N347-I349 PolarHBondContact O-N 3.01Å; I349-M352 PolarHBondContact O-N 3.33Å; I349-R353 WeakPolarHBondContact O-CG 3.45Å; I349-R353 PolarHBondContact O-N 3.5Å; I349-R353 VanDerWaalsContact O-N 3.12Å; I349-G377 VanDerWaalsContact CG2-O 3.23Å; I349-G377 WeakPolarHBondContact CG2-O 3.39Å; I349-M408 HydrophobicContact CD1-CB 4.16Å; I349-M408 HydrophobicContact CG2-CB 3.88Å; I349-A409 HydrophobicContact CD1-CB 4.19Å
350	I	98.4	Very high	98.5	Very high	63 Å²	63	39 Å²	39	32%	0.323	21%	0.206	S	C	.	.	H	α-helix	trans	-58	-49.8	175.7	-66.6	165	0	0	0	110.1	A346 N347 M352 R353 E354	A346-I350 WeakPolarHBondContact O-CG1 3.35Å; A346-I350 PolarHBondContact O-N 3.03Å; N347-I350 PolarHBondContact O-N 3.45Å; I350-M352 VanDerWaalsContact C-N 3.3Å; I350-M352 PolarHBondContact O-N 2.63Å; I350-R353 WeakPolarHBondContact O-CB 3.38Å; I350-R353 PolarHBondContact O-N 3.19Å; I350-E354 WeakPolarHBondContact O-CG 3.45Å; I350-E354 PolarHBondContact O-N 2.99Å
351	K	98.4	Very high	98.5	Very high	114 Å²	114	41.6 Å²	41.6	50%	0.496	22%	0.216	S	C	.	.	H	α-helix	trans	-58.8	-38.4	177.6	-172.2	177.2	-177.6	179.3	0	112.9	N347 R348 R353 E354 Q355	N347-K351 WeakPolarHBondContact O-CB 3.37Å; N347-K351 PolarHBondContact O-N 2.82Å; R348-K351 PolarHBondContact O-N 2.9Å; K351-R353 VanDerWaalsContact C-N 3.32Å; K351-R353 PolarHBondContact O-N 2.9Å; K351-E354 PolarHBondContact O-N 3.27Å; K351-Q355 HydrophobicContact CG-CG 4.42Å; K351-Q355 WeakPolarHBondContact O-CB 3.33Å; K351-Q355 VanDerWaalsContact O-CG 3.3Å; K351-Q355 WeakPolarHBondContact O-CG 3.39Å; K351-Q355 PolarHBondContact O-N 3.43Å
352	M	98.6	Very high	98.5	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-66.8	-33.6	176.4	-68.1	-55.9	93.7	0	0	112.6	R348 I349 I350 L356 M408 V411 T412	R348-M352 VanDerWaalsContact NH1-CG 3.3Å; R348-M352 WeakPolarHBondContact O-CG 3.25Å; R348-M352 PolarHBondContact O-N 3.37Å; I349-M352 PolarHBondContact O-N 3.33Å; I350-M352 VanDerWaalsContact C-N 3.3Å; I350-M352 PolarHBondContact O-N 2.63Å; M352-L356 VanDerWaalsContact O-CB 3.3Å; M352-L356 WeakPolarHBondContact O-CB 3.44Å; M352-L356 PolarHBondContact O-N 3.02Å; M352-M408 HydrophobicContact CB-CE 3.85Å; M352-V411 HydrophobicContact CB-CB 4.1Å; M352-V411 HydrophobicContact CB-CG1 4Å; M352-V411 HydrophobicContact CG-CB 4.22Å; M352-V411 HydrophobicContact CG-CG1 4.21Å; M352-V411 WeakPolarHBondContact CG-O 3.3Å; M352-V411 HydrophobicContact SD-CB 4.49Å; M352-V411 HydrophobicContact SD-CG1 4.01Å; M352-T412 VanDerWaalsContact SD-CA 3.51Å
353	R	98.6	Very high	98.5	Very high	6 Å²	6	52.2 Å²	52.2	2%	0.023	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-49	173.8	-68.3	170.3	174	-81.2	3.1	110.6	I349 I350 K351 Q355 L356 V357 V372 T373 Q375 G377 F379 M408	I349-R353 WeakPolarHBondContact O-CG 3.45Å; I349-R353 PolarHBondContact O-N 3.5Å; I349-R353 VanDerWaalsContact O-N 3.12Å; I350-R353 WeakPolarHBondContact O-CB 3.38Å; I350-R353 PolarHBondContact O-N 3.19Å; K351-R353 VanDerWaalsContact C-N 3.32Å; K351-R353 PolarHBondContact O-N 2.9Å; R353-Q355 PolarHBondContact O-N 2.99Å; R353-L356 PolarHBondContact O-N 3.12Å; R353-V357 WeakPolarHBondContact O-CG2 3.35Å; R353-V357 PolarHBondContact O-N 3.19Å; R353-V372 HydrophobicContact CB-CG1 4.1Å; R353-V372 WeakPolarHBondContact CB-O 3.48Å; R353-V372 VanDerWaalsContact CD-O 3.25Å; R353-V372 WeakPolarHBondContact CD-O 3.26Å; R353-V372 HydrophobicContact CG-CG1 4.29Å; R353-V372 WeakPolarHBondContact CG-O 3.37Å; R353-V372 PolarHBondContact NH1-O 2.84Å; R353-T373 HydrophobicContact CB-CG2 4.22Å; R353-Q375 PolarHBondContact NE-O 3.02Å; R353-Q375 PolarHBondContact NH1-O 3.31Å; R353-G377 PolarHBondContact NE-O 3.06Å; R353-G377 PolarHBondContact NH2-O 2.85Å; R353-F379 PolarHBondContact NH2-O 3.27Å; R353-M408 HydrophobicContact CB-CE 4.37Å; R353-M408 HydrophobicContact CG-CE 3.74Å; R353-M408 HydrophobicContact CG-CG 3.98Å; R353-M408 HydrophobicContact CG-SD 4.24Å
354	E	98.7	Very high	98.4	Very high	104 Å²	104	50.7 Å²	50.7	49%	0.486	27%	0.273	S	S	.	.	H	α-helix	trans	-58.7	-47.2	177.4	-65.9	169.7	166.4	0	0	111.8	I350 K351 L356 V357 A358 T373	I350-E354 WeakPolarHBondContact O-CG 3.45Å; I350-E354 PolarHBondContact O-N 2.99Å; K351-E354 PolarHBondContact O-N 3.27Å; E354-L356 VanDerWaalsContact C-N 3.33Å; E354-L356 PolarHBondContact O-N 3.2Å; E354-V357 PolarHBondContact O-N 3.2Å; E354-A358 WeakPolarHBondContact O-CB 3.43Å; E354-A358 PolarHBondContact O-N 3.3Å; E354-T373 HydrophobicContact CG-CG2 4.12Å
355	Q	98.8	Very high	98.4	Very high	61 Å²	61	49.9 Å²	49.9	29%	0.285	26%	0.261	S	S	.	.	H	α-helix	trans	-65.2	-35.5	178.6	-74.4	-174.6	-9.9	0	0	112.6	K351 R353 G359 V416	K351-Q355 HydrophobicContact CG-CG 4.42Å; K351-Q355 WeakPolarHBondContact O-CB 3.33Å; K351-Q355 VanDerWaalsContact O-CG 3.3Å; K351-Q355 WeakPolarHBondContact O-CG 3.39Å; K351-Q355 PolarHBondContact O-N 3.43Å; R353-Q355 PolarHBondContact O-N 2.99Å; Q355-G359 PolarHBondContact O-N 2.9Å; Q355-V416 HydrophobicContact CB-CG1 4.11Å; Q355-V416 HydrophobicContact CB-CG2 3.98Å
356	L	98.8	Very high	98.3	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-46.7	175.8	179.8	56.7	0	0	0	111.3	M352 R353 E354 G359 L360 V372 I406 M408 V416 L419 A420 I423	M352-L356 VanDerWaalsContact O-CB 3.3Å; M352-L356 WeakPolarHBondContact O-CB 3.44Å; M352-L356 PolarHBondContact O-N 3.02Å; R353-L356 PolarHBondContact O-N 3.12Å; E354-L356 VanDerWaalsContact C-N 3.33Å; E354-L356 PolarHBondContact O-N 3.2Å; L356-G359 PolarHBondContact O-N 2.9Å; L356-L360 HydrophobicContact CD1-CD1 4.15Å; L356-L360 HydrophobicContact CD1-CG 4.33Å; L356-L360 HydrophobicContact CG-CD1 4.06Å; L356-L360 VanDerWaalsContact O-CG 3.31Å; L356-L360 WeakPolarHBondContact O-CG 3.38Å; L356-L360 PolarHBondContact O-N 3.21Å; L356-V372 HydrophobicContact CD2-CG1 4.19Å; L356-I406 HydrophobicContact CD2-CD1 4.09Å; L356-M408 HydrophobicContact CD2-CE 4.32Å; L356-V416 HydrophobicContact CB-CG2 3.87Å; L356-V416 HydrophobicContact CD1-CG2 4.34Å; L356-L419 HydrophobicContact CD1-CB 4.34Å; L356-L419 HydrophobicContact CD1-CD2 3.93Å; L356-L419 HydrophobicContact CD1-CG 3.89Å; L356-L419 HydrophobicContact CD2-CD2 4Å; L356-A420 HydrophobicContact CD1-CB 4.18Å; L356-I423 HydrophobicContact CD1-CD1 4.33Å
357	V	98.7	Very high	98.3	Very high	32 Å²	32	59.7 Å²	59.7	19%	0.194	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-44.8	176.7	174.8	0	0	0	0	111.1	R353 E354 G359 L360 K361 W369 V372 T373	R353-V357 WeakPolarHBondContact O-CG2 3.35Å; R353-V357 PolarHBondContact O-N 3.19Å; E354-V357 PolarHBondContact O-N 3.2Å; V357-G359 PolarHBondContact O-N 3.49Å; V357-L360 PolarHBondContact O-N 2.8Å; V357-K361 PolarHBondContact O-N 3.48Å; V357-K361 VanDerWaalsContact O-N 3.08Å; V357-W369 HydrophobicContact CG2-CB 4.35Å; V357-W369 WeakPolarHBondContact CG2-O 3.26Å; V357-V372 HydrophobicContact CG2-CB 3.64Å; V357-V372 HydrophobicContact CG2-CG1 3.94Å; V357-V372 HydrophobicContact CG2-CG2 4.4Å; V357-T373 HydrophobicContact CG2-CG2 3.98Å
358	A	98.6	Very high	98.2	Very high	47 Å²	47	62.6 Å²	62.6	39%	0.388	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-44.1	176.4	0	0	0	0	0	111.8	E354 K361 Q362	E354-A358 WeakPolarHBondContact O-CB 3.43Å; E354-A358 PolarHBondContact O-N 3.3Å; A358-K361 PolarHBondContact O-N 3.23Å; A358-Q362 WeakPolarHBondContact O-CG 3.35Å; A358-Q362 PolarHBondContact O-N 3.35Å
359	G	98.6	Very high	98.2	Very high	11 Å²	11	62.5 Å²	62.5	11%	0.113	34%	0.335	C	S	.	.	H	α-helix	trans	-61.1	-43.8	176.1	0	0	0	0	0	112.5	Q355 L356 V357 K361 Q362 Q363	Q355-G359 PolarHBondContact O-N 2.9Å; L356-G359 PolarHBondContact O-N 2.9Å; V357-G359 PolarHBondContact O-N 3.49Å; G359-K361 VanDerWaalsContact C-N 3.32Å; G359-K361 PolarHBondContact O-N 3.35Å; G359-Q362 WeakPolarHBondContact O-CB 3.23Å; G359-Q362 PolarHBondContact O-N 3.36Å; G359-Q362 VanDerWaalsContact O-N 3.16Å; G359-Q363 VanDerWaalsContact O-CG 3.32Å; G359-Q363 WeakPolarHBondContact O-CG 3.5Å; G359-Q363 PolarHBondContact O-N 2.93Å
360	L	98.7	Very high	98.2	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-61.6	-39.9	177.1	-75	162.6	0	0	0	112.3	L356 V357 Q363 G364 S365 W369 A420 I423	L356-L360 HydrophobicContact CD1-CD1 4.15Å; L356-L360 HydrophobicContact CD1-CG 4.33Å; L356-L360 HydrophobicContact CG-CD1 4.06Å; L356-L360 VanDerWaalsContact O-CG 3.31Å; L356-L360 WeakPolarHBondContact O-CG 3.38Å; L356-L360 PolarHBondContact O-N 3.21Å; V357-L360 PolarHBondContact O-N 2.8Å; L360-Q363 PolarHBondContact O-N 2.97Å; L360-G364 PolarHBondContact O-N 2.98Å; L360-S365 VanDerWaalsContact O-CB 3.24Å; L360-S365 WeakPolarHBondContact O-CB 3.33Å; L360-S365 PolarHBondContact O-N 3.45Å; L360-S365 VanDerWaalsContact O-N 3.13Å; L360-W369 HydrophobicContact CB-CG 4.44Å; L360-W369 HydrophobicContact CD1-CB 4.2Å; L360-W369 HydrophobicContact CD1-CD2 3.7Å; L360-W369 HydrophobicContact CD1-CE3 4.18Å; L360-W369 HydrophobicContact CD1-CG 3.69Å; L360-A420 HydrophobicContact CD2-CB 4.38Å; L360-A420 HydrophobicContact CG-CB 4.21Å; L360-I423 HydrophobicContact CD2-CB 3.84Å; L360-I423 HydrophobicContact CD2-CG2 3.55Å
361	K	98.3	Very high	98.2	Very high	175 Å²	175	64.6 Å²	64.6	76%	0.761	34%	0.343	S	S	*	.	H	α-helix	trans	-64.7	-42.3	173.7	-174.4	176.5	179.8	178.2	0	111.7	V357 A358 G359 Q363 G364	V357-K361 PolarHBondContact O-N 3.48Å; V357-K361 VanDerWaalsContact O-N 3.08Å; A358-K361 PolarHBondContact O-N 3.23Å; G359-K361 VanDerWaalsContact C-N 3.32Å; G359-K361 PolarHBondContact O-N 3.35Å; K361-Q363 VanDerWaalsContact C-N 3.3Å; K361-Q363 PolarHBondContact O-N 3.18Å; K361-G364 PolarHBondContact O-N 3.34Å
362	Q	98.1	Very high	98.1	Very high	168 Å²	168	59.3 Å²	59.3	79%	0.785	32%	0.32	S	S	*	.	H	α-helix	trans	-64.3	-33.3	177	-72.9	173.2	3.7	0	0	112.8	A358 G359 G364	A358-Q362 WeakPolarHBondContact O-CG 3.35Å; A358-Q362 PolarHBondContact O-N 3.35Å; G359-Q362 WeakPolarHBondContact O-CB 3.23Å; G359-Q362 PolarHBondContact O-N 3.36Å; G359-Q362 VanDerWaalsContact O-N 3.16Å; Q362-G364 PolarHBondContact O-N 3.01Å
363	Q	98.1	Very high	98.1	Very high	82 Å²	82	61.3 Å²	61.3	38%	0.383	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-7	173.8	-66.8	-67	-13.6	0	0	113.3	G359 L360 K361 A420 H424	G359-Q363 VanDerWaalsContact O-CG 3.32Å; G359-Q363 WeakPolarHBondContact O-CG 3.5Å; G359-Q363 PolarHBondContact O-N 2.93Å; L360-Q363 PolarHBondContact O-N 2.97Å; K361-Q363 VanDerWaalsContact C-N 3.3Å; K361-Q363 PolarHBondContact O-N 3.18Å; Q363-A420 HydrophobicContact CG-CB 4.33Å; Q363-H424 HydrophobicContact CB-CB 3.87Å; Q363-H424 HydrophobicContact CG-CB 4.48Å; Q363-H424 PolarHBondContact O-CD2 3.21Å; Q363-H424 PolarHBondContact O-NE2 2.73Å
364	G	97.9	Very high	98.1	Very high	56 Å²	56	66 Å²	66	58%	0.577	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	19.9	179.3	0	0	0	0	0	114.6	L360 K361 Q362 S366	L360-G364 PolarHBondContact O-N 2.98Å; K361-G364 PolarHBondContact O-N 3.34Å; Q362-G364 PolarHBondContact O-N 3.01Å; G364-S366 PolarHBondContact O-N 2.96Å
365	S	98	Very high	98	Very high	20 Å²	20	61.3 Å²	61.3	14%	0.14	34%	0.336	C	S	.	.			trans	-61.3	130	174.5	174.8	0	0	0	0	111.8	L360 H367 W369	L360-S365 VanDerWaalsContact O-CB 3.24Å; L360-S365 WeakPolarHBondContact O-CB 3.33Å; L360-S365 PolarHBondContact O-N 3.45Å; L360-S365 VanDerWaalsContact O-N 3.13Å; S365-H367 PolarHBondContact OG-N 3.33Å; S365-W369 PolarHBondContact OG-NE1 2.81Å
366	S	97.1	Very high	97.9	Very high	114 Å²	114	60.6 Å²	60.6	80%	0.797	33%	0.334	S	S	*	.			trans	-88.9	-10.6	173	55.8	0	0	0	0	114.2	G364	G364-S366 PolarHBondContact O-N 2.96Å
367	H	96.8	Very high	97.7	Very high	97 Å²	97	60.7 Å²	60.7	45%	0.449	34%	0.336	S	S	.	.	S	Bend	trans	-71.9	149.7	177.3	-66.9	80.9	0	0	0	112.1	S365 W369 T427	S365-H367 PolarHBondContact OG-N 3.33Å; H367-W369 HydrophobicContact CB-CZ2 4.27Å; H367-W369 VanDerWaalsContact O-CD1 3.31Å; H367-W369 PolarHBondContact O-N 3.26Å; H367-T427 PolarHBondContact CE1-O 2.99Å
368	N	96.6	Very high	97.5	Very high	130 Å²	130	59.2 Å²	59.2	70%	0.695	33%	0.327	S	S	*	.			trans	-78.2	117.1	169.2	-176.8	8.3	0	0	0	110.2	Q370 H371	N368-Q370 WeakPolarHBondContact OD1-CB 3.43Å; N368-Q370 PolarHBondContact OD1-N 2.95Å; N368-H371 PolarHBondContact O-CE1 3.3Å; N368-H371 PolarHBondContact O-ND1 3.11Å
369	W	98.1	Very high	97.4	Very high	23 Å²	23	57.4 Å²	57.4	9%	0.087	31%	0.31	C	S	.	.			trans	-109.3	12	178.7	-65.5	106.1	0	0	0	113.7	V357 L360 S365 H367 H371 V372 T382 L384 I423 T427	V357-W369 HydrophobicContact CG2-CB 4.35Å; V357-W369 WeakPolarHBondContact CG2-O 3.26Å; L360-W369 HydrophobicContact CB-CG 4.44Å; L360-W369 HydrophobicContact CD1-CB 4.2Å; L360-W369 HydrophobicContact CD1-CD2 3.7Å; L360-W369 HydrophobicContact CD1-CE3 4.18Å; L360-W369 HydrophobicContact CD1-CG 3.69Å; S365-W369 PolarHBondContact OG-NE1 2.81Å; H367-W369 HydrophobicContact CB-CZ2 4.27Å; H367-W369 VanDerWaalsContact O-CD1 3.31Å; H367-W369 PolarHBondContact O-N 3.26Å; W369-H371 AromaticContact CE3-CE1 3.53Å; W369-H371 AromaticContact CE3-NE2 3.81Å; W369-H371 PolarHBondContact O-N 2.99Å; W369-H371 VanDerWaalsContact O-N 3.15Å; W369-V372 HydrophobicContact CE3-CG2 4.21Å; W369-V372 WeakPolarHBondContact O-CB 3.47Å; W369-V372 WeakPolarHBondContact O-CG2 3.12Å; W369-V372 PolarHBondContact O-N 2.76Å; W369-T382 WeakPolarHBondContact CZ3-O 3.32Å; W369-L384 HydrophobicContact CH2-CD2 4.17Å; W369-I423 HydrophobicContact CH2-CG2 3.64Å; W369-I423 HydrophobicContact CZ2-CG2 3.7Å; W369-I423 HydrophobicContact CZ3-CG2 4.36Å; W369-T427 HydrophobicContact CH2-CG2 4.15Å; W369-T427 HydrophobicContact CZ2-CG2 4.09Å
370	Q	97.7	Very high	97.4	Very high	93 Å²	93	56.9 Å²	56.9	44%	0.435	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-30	-177.3	-178.1	60.9	47.3	0	0	113	N368 V372 T373 D374	N368-Q370 WeakPolarHBondContact OD1-CB 3.43Å; N368-Q370 PolarHBondContact OD1-N 2.95Å; Q370-V372 PolarHBondContact O-N 3.15Å; Q370-V372 VanDerWaalsContact O-N 3.12Å; Q370-T373 PolarHBondContact NE2-OG1 3.08Å; Q370-T373 PolarHBondContact O-N 3.03Å; Q370-T373 PolarHBondContact O-OG1 3.32Å; Q370-D374 PolarHBondContact NE2-OD1 3.16Å; Q370-D374 PolarHBondContact O-N 3Å
371	H	98.1	Very high	97.3	Very high	18 Å²	18	57.7 Å²	57.7	8%	0.083	31%	0.308	C	S	.	.	H	α-helix	trans	-57.7	-27.4	176.1	59.9	-76.8	0	0	0	113.1	C185 N368 W369 T373 D374 Q375 F381 T382	C185-H371 HydrophobicContact CB-CB 3.55Å; C185-H371 VanDerWaalsContact CB-CD2 3.48Å; C185-H371 WeakPolarHBondContact CB-CD2 3.16Å; C185-H371 VanDerWaalsContact CB-CG 3.46Å; N368-H371 PolarHBondContact O-CE1 3.3Å; N368-H371 PolarHBondContact O-ND1 3.11Å; W369-H371 AromaticContact CE3-CE1 3.53Å; W369-H371 AromaticContact CE3-NE2 3.81Å; W369-H371 PolarHBondContact O-N 2.99Å; W369-H371 VanDerWaalsContact O-N 3.15Å; H371-T373 VanDerWaalsContact C-N 3.28Å; H371-T373 PolarHBondContact O-N 3.39Å; H371-D374 PolarHBondContact O-N 3.3Å; H371-Q375 VanDerWaalsContact O-CB 3.23Å; H371-Q375 WeakPolarHBondContact O-CB 3.49Å; H371-Q375 VanDerWaalsContact O-CD 3.29Å; H371-Q375 WeakPolarHBondContact O-CG 3.3Å; H371-Q375 PolarHBondContact O-N 3.08Å; H371-F381 PolarHBondContact CD2-O 2.83Å; H371-T382 PolarHBondContact NE2-O 3.18Å
372	V	98.2	Very high	97.2	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-35.3	177.4	177.6	0	0	0	0	111.2	R353 L356 V357 W369 Q370	R353-V372 HydrophobicContact CB-CG1 4.1Å; R353-V372 WeakPolarHBondContact CB-O 3.48Å; R353-V372 VanDerWaalsContact CD-O 3.25Å; R353-V372 WeakPolarHBondContact CD-O 3.26Å; R353-V372 HydrophobicContact CG-CG1 4.29Å; R353-V372 WeakPolarHBondContact CG-O 3.37Å; R353-V372 PolarHBondContact NH1-O 2.84Å; L356-V372 HydrophobicContact CD2-CG1 4.19Å; V357-V372 HydrophobicContact CG2-CB 3.64Å; V357-V372 HydrophobicContact CG2-CG1 3.94Å; V357-V372 HydrophobicContact CG2-CG2 4.4Å; W369-V372 HydrophobicContact CE3-CG2 4.21Å; W369-V372 WeakPolarHBondContact O-CB 3.47Å; W369-V372 WeakPolarHBondContact O-CG2 3.12Å; W369-V372 PolarHBondContact O-N 2.76Å; Q370-V372 PolarHBondContact O-N 3.15Å; Q370-V372 VanDerWaalsContact O-N 3.12Å
373	T	98.1	Very high	97.1	Very high	46 Å²	46	43.7 Å²	43.7	28%	0.282	26%	0.257	S	S	.	.	H	α-helix	trans	-89.7	-26.4	176.2	40	0	0	0	0	113.5	R353 E354 V357 Q370 H371	R353-T373 HydrophobicContact CB-CG2 4.22Å; E354-T373 HydrophobicContact CG-CG2 4.12Å; V357-T373 HydrophobicContact CG2-CG2 3.98Å; Q370-T373 PolarHBondContact NE2-OG1 3.08Å; Q370-T373 PolarHBondContact O-N 3.03Å; Q370-T373 PolarHBondContact O-OG1 3.32Å; H371-T373 VanDerWaalsContact C-N 3.28Å; H371-T373 PolarHBondContact O-N 3.39Å
374	D	97.6	Very high	97.1	Very high	104 Å²	104	40.1 Å²	40.1	56%	0.556	24%	0.241	S	C	*	.	H	α-helix	trans	-73.4	-31.3	175.4	-63.5	-10.6	0	0	0	112	Q370 H371	Q370-D374 PolarHBondContact NE2-OD1 3.16Å; Q370-D374 PolarHBondContact O-N 3Å; H371-D374 PolarHBondContact O-N 3.3Å
375	Q	97.9	Very high	97.1	Very high	5 Å²	5	43.3 Å²	43.3	2%	0.023	24%	0.239	C	C	.	.	S	Bend	trans	-71.9	145.2	175.1	-72.6	166.8	12.6	0	0	111.9	C185 T215 G216 V217 R353 H371 C380 F381	C185-Q375 PolarHBondContact O-NE2 2.81Å; T215-Q375 WeakPolarHBondContact O-CG 3.49Å; T215-Q375 PolarHBondContact O-NE2 3.11Å; T215-Q375 PolarHBondContact O-OE1 3.4Å; G216-Q375 CarbonylContact O-C 3.56Å; G216-Q375 WeakPolarHBondContact O-CA 3.41Å; V217-Q375 HydrophobicContact CG2-CG 3.79Å; R353-Q375 PolarHBondContact NE-O 3.02Å; R353-Q375 PolarHBondContact NH1-O 3.31Å; H371-Q375 VanDerWaalsContact O-CB 3.23Å; H371-Q375 WeakPolarHBondContact O-CB 3.49Å; H371-Q375 VanDerWaalsContact O-CD 3.29Å; H371-Q375 WeakPolarHBondContact O-CG 3.3Å; H371-Q375 PolarHBondContact O-N 3.08Å; Q375-C380 PolarHBondContact OE1-SG 3.14Å; Q375-F381 PolarHBondContact NE2-O 3.36Å; Q375-F381 VanDerWaalsContact NE2-O 3.1Å
376	I	95.8	Very high	97	Very high	47 Å²	47	46 Å²	46	24%	0.241	26%	0.256	C	S	.	.			trans	-112.7	150.6	-170.3	-57.9	-178.9	0	0	0	111.2	G216 D218 A248	G216-I376 WeakPolarHBondContact CA-O 3.32Å; G216-I376 PolarHBondContact O-N 3.43Å; D218-I376 HydrophobicContact CB-CD1 4.16Å; A248-I376 HydrophobicContact CB-CG2 3.79Å; A248-I376 WeakPolarHBondContact O-CG2 3.37Å
377	G	95	Very high	97.1	Very high	4 Å²	4	45.5 Å²	45.5	4%	0.041	24%	0.241	C	C	.	.	S	Bend	trans	78.3	-159.6	171.5	0	0	0	0	0	114.4	I349 R353 F379	I349-G377 VanDerWaalsContact CG2-O 3.23Å; I349-G377 WeakPolarHBondContact CG2-O 3.39Å; R353-G377 PolarHBondContact NE-O 3.06Å; R353-G377 PolarHBondContact NH2-O 2.85Å; G377-F379 PolarHBondContact O-N 3.45Å
378	M	93.6	Very high	97.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.228	C	C	.	.	S	Bend	trans	-72.5	-29.2	-168.1	-156.1	168.1	60.9	0	0	114.5	F247 S407 M408 A409	F247-M378 HydrophobicContact CE1-CB 3.81Å; F247-M378 HydrophobicContact CE1-CG 4.19Å; F247-M378 HydrophobicContact CE1-SD 4.36Å; F247-M378 HydrophobicContact CZ-CG 4.43Å; F247-M378 HydrophobicContact CZ-SD 4.33Å; M378-S407 CarbonylContact O-C 3.38Å; M378-S407 WeakPolarHBondContact O-CA 3.5Å; M378-M408 WeakPolarHBondContact O-CB 3.47Å; M378-M408 PolarHBondContact O-N 2.97Å; M378-A409 HydrophobicContact CG-CB 3.71Å; M378-A409 HydrophobicContact SD-CB 3.82Å
379	F	97.2	Very high	97.2	Very high	9 Å²	9	36.6 Å²	36.6	4%	0.039	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	143.8	-169.6	-61.8	-59.2	0	0	0	111.5	N213 P214 G216 Y244 R353 G377 R405 I406	N213-F379 HydrophobicContact CB-CD2 4.09Å; N213-F379 HydrophobicContact CB-CE2 4.31Å; P214-F379 WeakPolarHBondContact O-CB 3.3Å; G216-F379 WeakPolarHBondContact CA-O 3.48Å; Y244-F379 WeakPolarHBondContact OH-CE2 3.37Å; R353-F379 PolarHBondContact NH2-O 3.27Å; G377-F379 PolarHBondContact O-N 3.45Å; F379-R405 HydrophobicContact CB-CG 4.24Å; F379-R405 HydrophobicContact CD1-CG 4.25Å; F379-R405 HydrophobicContact CG-CG 4.47Å; F379-I406 WeakPolarHBondContact CA-O 3.43Å
380	C	97.5	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.5	177.8	170.2	0	0	0	0	108.3	Q375 T382 R405 I406 M408	Q375-C380 PolarHBondContact OE1-SG 3.14Å; C380-T382 PolarHBondContact O-N 2.95Å; C380-R405 CarbonylContact O-C 3.35Å; C380-R405 WeakPolarHBondContact O-CA 3.44Å; C380-I406 HydrophobicContact CB-CD1 4.25Å; C380-I406 HydrophobicContact CB-CG1 3.69Å; C380-I406 PolarHBondContact N-O 3.33Å; C380-I406 PolarHBondContact O-N 3.11Å; C380-M408 HydrophobicContact CB-CG 4.08Å; C380-M408 HydrophobicContact CB-SD 4.06Å
381	F	97.6	Very high	97.2	Very high	18 Å²	18	40 Å²	40	8%	0.079	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	107.2	165.7	-106.7	34.3	0	0	0	108.3	P158 Y180 P214 T215 H371 Q375 G383 D403 R405	P158-F381 HydrophobicContact CG-CE2 3.99Å; P158-F381 HydrophobicContact CG-CZ 4.18Å; Y180-F381 HydrophobicContact CD1-CD2 4.26Å; Y180-F381 AromaticContact CE1-CD2 3.81Å; Y180-F381 HydrophobicContact CE1-CD2 3.81Å; Y180-F381 HydrophobicContact CE1-CE2 4.37Å; Y180-F381 HydrophobicContact CE2-CB 4.13Å; Y180-F381 HydrophobicContact CE2-CD2 4.11Å; Y180-F381 AromaticContact CZ-CD2 3.73Å; P214-F381 HydrophobicContact CB-CD1 4.12Å; P214-F381 HydrophobicContact CB-CE1 3.48Å; P214-F381 VanDerWaalsContact CB-CE1 3.48Å; P214-F381 HydrophobicContact CB-CZ 4.17Å; P214-F381 HydrophobicContact CG-CD1 4.17Å; P214-F381 HydrophobicContact CG-CE1 3.33Å; P214-F381 HydrophobicContact CG-CE2 4.44Å; P214-F381 HydrophobicContact CG-CZ 3.49Å; P214-F381 VanDerWaalsContact CG-CZ 3.49Å; P214-F381 WeakPolarHBondContact O-CD1 3.29Å; T215-F381 HydrophobicContact CG2-CB 4.42Å; T215-F381 HydrophobicContact CG2-CD1 4.29Å; T215-F381 HydrophobicContact CG2-CD2 3.69Å; T215-F381 HydrophobicContact CG2-CE2 3.97Å; T215-F381 HydrophobicContact CG2-CG 3.87Å; T215-F381 HydrophobicContact CG2-CZ 4.41Å; T215-F381 PolarHBondContact O-N 3.34Å; H371-F381 PolarHBondContact CD2-O 2.83Å; Q375-F381 PolarHBondContact NE2-O 3.36Å; Q375-F381 VanDerWaalsContact NE2-O 3.1Å; F381-G383 VanDerWaalsContact C-N 3.33Å; F381-G383 PolarHBondContact O-N 2.7Å; F381-D403 HydrophobicContact CE1-CB 4.45Å; F381-D403 HydrophobicContact CZ-CB 4.03Å; F381-R405 HydrophobicContact CD1-CB 3.82Å; F381-R405 HydrophobicContact CD1-CG 4.03Å; F381-R405 HydrophobicContact CE1-CB 3.64Å; F381-R405 HydrophobicContact CE1-CG 4.05Å
382	T	97.1	Very high	97.3	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.025	20%	0.204	C	C	.	.			trans	-72.7	-25.5	-173	58.2	0	0	0	0	113.3	W369 H371 C380 L384 G404 I406	W369-T382 WeakPolarHBondContact CZ3-O 3.32Å; H371-T382 PolarHBondContact NE2-O 3.18Å; C380-T382 PolarHBondContact O-N 2.95Å; T382-L384 VanDerWaalsContact C-N 3.27Å; T382-L384 HydrophobicContact CG2-CD1 4.42Å; T382-L384 WeakPolarHBondContact OG1-CB 3.5Å; T382-L384 VanDerWaalsContact OG1-CG 3.25Å; T382-L384 WeakPolarHBondContact OG1-CG 3.41Å; T382-L384 PolarHBondContact OG1-N 2.75Å; T382-G404 WeakPolarHBondContact CB-O 3.25Å; T382-G404 WeakPolarHBondContact CG2-O 3.24Å; T382-G404 PolarHBondContact N-O 3.22Å; T382-G404 PolarHBondContact OG1-O 3.37Å; T382-I406 HydrophobicContact CG2-CB 4.33Å; T382-I406 HydrophobicContact CG2-CD1 3.66Å; T382-I406 HydrophobicContact CG2-CG1 3.72Å; T382-I406 HydrophobicContact CG2-CG2 3.77Å
383	G	95.9	Very high	97.2	Very high	44 Å²	44	40.9 Å²	40.9	45%	0.454	22%	0.215	S	C	.	.			trans	82.5	2	-168.3	0	0	0	0	0	113.6	F381	F381-G383 VanDerWaalsContact C-N 3.33Å; F381-G383 PolarHBondContact O-N 2.7Å
384	L	97.8	Very high	97.2	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.042	23%	0.233	C	C	.	.			trans	-65.8	136.8	175.4	-66.1	173.9	0	0	0	111.2	W369 T382 Q388 V389 L392 M400 I423 V426 T427	W369-L384 HydrophobicContact CH2-CD2 4.17Å; T382-L384 VanDerWaalsContact C-N 3.27Å; T382-L384 HydrophobicContact CG2-CD1 4.42Å; T382-L384 WeakPolarHBondContact OG1-CB 3.5Å; T382-L384 VanDerWaalsContact OG1-CG 3.25Å; T382-L384 WeakPolarHBondContact OG1-CG 3.41Å; T382-L384 PolarHBondContact OG1-N 2.75Å; L384-Q388 HydrophobicContact CB-CB 4.4Å; L384-Q388 HydrophobicContact CD2-CB 4.25Å; L384-V389 HydrophobicContact CB-CG2 4.12Å; L384-L392 HydrophobicContact CD1-CD1 3.53Å; L384-M400 HydrophobicContact CD1-CE 4.46Å; L384-M400 HydrophobicContact CD1-SD 4.1Å; L384-I423 HydrophobicContact CD1-CG1 4.33Å; L384-I423 HydrophobicContact CD2-CG2 4.45Å; L384-V426 HydrophobicContact CD2-CG2 4.4Å; L384-T427 HydrophobicContact CD2-CG2 3.38Å
385	K	97.4	Very high	97.3	Very high	122 Å²	122	45.6 Å²	45.6	53%	0.53	23%	0.228	S	C	.	.			trans	-78.3	157.4	177.5	-58.9	-179.9	-176.9	173.7	0	111.5	E387 Q388 V389	K385-E387 VanDerWaalsContact CB-CD 3.42Å; K385-E387 HydrophobicContact CB-CG 4.32Å; K385-E387 WeakPolarHBondContact CB-OE1 3.5Å; K385-E387 WeakPolarHBondContact CB-OE2 3.46Å; K385-E387 WeakPolarHBondContact CD-OE1 3.42Å; K385-E387 PolarHBondContact O-N 3.01Å; K385-E387 VanDerWaalsContact O-N 3.14Å; K385-Q388 HydrophobicContact CB-CG 4.44Å; K385-Q388 WeakPolarHBondContact O-CA 3.14Å; K385-Q388 WeakPolarHBondContact O-CB 3.44Å; K385-Q388 PolarHBondContact O-N 3.48Å; K385-V389 PolarHBondContact O-N 3.48Å
386	P	96.9	Very high	97.3	Very high	76 Å²	76	46.5 Å²	46.5	49%	0.494	23%	0.232	S	C	.	.	H	α-helix	trans	-52.2	-38.7	-179.5	-28.6	36.2	0	0	0	114.3	V389 E390	P386-V389 PolarHBondContact O-N 2.92Å; P386-E390 PolarHBondContact O-N 2.98Å
387	E	97.9	Very high	97.4	Very high	105 Å²	105	44.7 Å²	44.7	49%	0.491	22%	0.224	S	C	.	.	H	α-helix	trans	-66	-35.7	176.8	62.3	-85.4	-160.2	0	0	112.8	K385 E390 R391	K385-E387 VanDerWaalsContact CB-CD 3.42Å; K385-E387 HydrophobicContact CB-CG 4.32Å; K385-E387 WeakPolarHBondContact CB-OE1 3.5Å; K385-E387 WeakPolarHBondContact CB-OE2 3.46Å; K385-E387 WeakPolarHBondContact CD-OE1 3.42Å; K385-E387 PolarHBondContact O-N 3.01Å; K385-E387 VanDerWaalsContact O-N 3.14Å; E387-E390 PolarHBondContact O-N 3.41Å; E387-R391 WeakPolarHBondContact O-CG 3.41Å; E387-R391 PolarHBondContact O-N 2.9Å
388	Q	98.5	Very high	97.6	Very high	36 Å²	36	44.5 Å²	44.5	17%	0.168	22%	0.222	C	C	.	.	H	α-helix	trans	-72.5	-38.5	176	-63.6	174.1	-47.1	0	0	111	L384 K385 E390 R391 L392 V426	L384-Q388 HydrophobicContact CB-CB 4.4Å; L384-Q388 HydrophobicContact CD2-CB 4.25Å; K385-Q388 HydrophobicContact CB-CG 4.44Å; K385-Q388 WeakPolarHBondContact O-CA 3.14Å; K385-Q388 WeakPolarHBondContact O-CB 3.44Å; K385-Q388 PolarHBondContact O-N 3.48Å; Q388-E390 VanDerWaalsContact C-N 3.32Å; Q388-E390 PolarHBondContact O-N 3.35Å; Q388-R391 PolarHBondContact O-N 3.18Å; Q388-L392 WeakPolarHBondContact O-CG 3.35Å; Q388-L392 PolarHBondContact O-N 2.94Å; Q388-V426 HydrophobicContact CB-CB 4.27Å; Q388-V426 HydrophobicContact CB-CG2 3.99Å; Q388-V426 WeakPolarHBondContact CG-O 3.39Å; Q388-V426 PolarHBondContact NE2-O 2.94Å
389	V	98.1	Very high	97.8	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-42	172.5	172.7	0	0	0	0	111.1	L384 K385 P386 L392 T393 M400	L384-V389 HydrophobicContact CB-CG2 4.12Å; K385-V389 PolarHBondContact O-N 3.48Å; P386-V389 PolarHBondContact O-N 2.92Å; V389-L392 PolarHBondContact O-N 3.31Å; V389-T393 PolarHBondContact O-N 2.95Å; V389-T393 PolarHBondContact O-OG1 3.45Å; V389-M400 HydrophobicContact CB-CG 4.43Å; V389-M400 HydrophobicContact CG1-CG 3.6Å; V389-M400 HydrophobicContact CG1-SD 4.38Å; V389-M400 HydrophobicContact CG2-CG 4.2Å; V389-M400 HydrophobicContact CG2-SD 3.97Å
390	E	97.4	Very high	97.8	Very high	94 Å²	94	45.5 Å²	45.5	44%	0.439	23%	0.226	S	C	.	.	H	α-helix	trans	-64.9	-42.2	176.9	-174.3	169.2	-174.4	0	0	111.9	P386 E387 Q388 T393 K394	P386-E390 PolarHBondContact O-N 2.98Å; E387-E390 PolarHBondContact O-N 3.41Å; Q388-E390 VanDerWaalsContact C-N 3.32Å; Q388-E390 PolarHBondContact O-N 3.35Å; E390-T393 PolarHBondContact O-N 3.33Å; E390-K394 HydrophobicContact CG-CD 4.13Å; E390-K394 WeakPolarHBondContact O-CG 3.43Å; E390-K394 PolarHBondContact O-N 3.03Å; E390-K394 WeakPolarHBondContact OE1-CE 3.22Å; E390-K394 IonicContact OE1-NZ 3.91Å; E390-K394 PolarHBondContact OE1-NZ 3.42Å
391	R	98.5	Very high	97.6	Very high	94 Å²	94	45.9 Å²	45.9	36%	0.355	23%	0.228	S	C	.	.	H	α-helix	trans	-61	-45.5	172.7	-72.7	-175.6	62.3	-149	-14.3	112.1	E387 Q388 T393 K394 E395 A425 V426	E387-R391 WeakPolarHBondContact O-CG 3.41Å; E387-R391 PolarHBondContact O-N 2.9Å; Q388-R391 PolarHBondContact O-N 3.18Å; R391-T393 VanDerWaalsContact C-N 3.26Å; R391-T393 PolarHBondContact O-N 3.38Å; R391-K394 PolarHBondContact O-N 3.45Å; R391-E395 WeakPolarHBondContact CB-OE1 3.37Å; R391-E395 VanDerWaalsContact CG-OE1 3.26Å; R391-E395 WeakPolarHBondContact CG-OE1 3.37Å; R391-E395 IonicContact CZ-OE1 3.08Å; R391-E395 IonicContact CZ-OE2 2.7Å; R391-E395 IonicContact NE-OE1 2.69Å; R391-E395 PolarHBondContact NE-OE1 2.79Å; R391-E395 IonicContact NE-OE2 2.77Å; R391-E395 IonicContact NH2-OE1 3.19Å; R391-E395 IonicContact NH2-OE2 3.76Å; R391-E395 PolarHBondContact NH2-OE2 3.22Å; R391-E395 VanDerWaalsContact O-CB 3.26Å; R391-E395 WeakPolarHBondContact O-CB 2.98Å; R391-E395 PolarHBondContact O-N 2.96Å; R391-A425 PolarHBondContact NH2-O 2.92Å; R391-V426 HydrophobicContact CB-CB 4.39Å; R391-V426 HydrophobicContact CB-CG1 3.63Å
392	L	98.6	Very high	97.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.4	-39.9	174.6	-81.3	175	0	0	0	112.8	L384 Q388 V389 F396 S397 V398 M400 G422 I423 V426	L384-L392 HydrophobicContact CD1-CD1 3.53Å; Q388-L392 WeakPolarHBondContact O-CG 3.35Å; Q388-L392 PolarHBondContact O-N 2.94Å; V389-L392 PolarHBondContact O-N 3.31Å; L392-F396 HydrophobicContact CD2-CD2 4.2Å; L392-F396 CarbonylContact O-C 3.57Å; L392-F396 WeakPolarHBondContact O-CA 3.37Å; L392-F396 WeakPolarHBondContact O-CB 3.48Å; L392-F396 PolarHBondContact O-N 3.05Å; L392-S397 PolarHBondContact O-N 3.27Å; L392-V398 HydrophobicContact CB-CB 4.26Å; L392-V398 PolarHBondContact O-N 3.18Å; L392-M400 HydrophobicContact CD1-CE 3.56Å; L392-M400 HydrophobicContact CD1-SD 4.15Å; L392-G422 WeakPolarHBondContact CD2-O 3.42Å; L392-I423 HydrophobicContact CD1-CG1 4.16Å; L392-I423 HydrophobicContact CD2-CG1 4.48Å; L392-V426 HydrophobicContact CD1-CG2 4.15Å; L392-V426 HydrophobicContact CD2-CG1 4.17Å; L392-V426 HydrophobicContact CD2-CG2 4.15Å; L392-V426 HydrophobicContact CG-CG1 4.08Å; L392-V426 HydrophobicContact CG-CG2 3.84Å
393	T	97.8	Very high	97.1	Very high	38 Å²	38	56.2 Å²	56.2	23%	0.233	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-49.7	176.8	-53.3	0	0	0	0	110.7	V389 E390 R391 S397 Y399	V389-T393 PolarHBondContact O-N 2.95Å; V389-T393 PolarHBondContact O-OG1 3.45Å; E390-T393 PolarHBondContact O-N 3.33Å; R391-T393 VanDerWaalsContact C-N 3.26Å; R391-T393 PolarHBondContact O-N 3.38Å; T393-S397 VanDerWaalsContact O-CA 3.31Å; T393-S397 WeakPolarHBondContact O-CA 3.27Å; T393-S397 PolarHBondContact O-N 3.01Å; T393-Y399 HydrophobicContact CG2-CD1 3.83Å; T393-Y399 HydrophobicContact CG2-CE1 3.56Å
394	K	97.8	Very high	97.1	Very high	151 Å²	151	54.1 Å²	54.1	66%	0.657	26%	0.255	S	S	*	.	H	α-helix	trans	-76.6	-42.5	-173.1	-70.5	-179.5	-176.2	172.6	0	114.1	E390 R391	E390-K394 HydrophobicContact CG-CD 4.13Å; E390-K394 WeakPolarHBondContact O-CG 3.43Å; E390-K394 PolarHBondContact O-N 3.03Å; E390-K394 WeakPolarHBondContact OE1-CE 3.22Å; E390-K394 IonicContact OE1-NZ 3.91Å; E390-K394 PolarHBondContact OE1-NZ 3.42Å; R391-K394 PolarHBondContact O-N 3.45Å
395	E	98.4	Very high	97	Very high	99 Å²	99	54.3 Å²	54.3	46%	0.463	26%	0.255	S	S	.	.	H	α-helix	trans	-88.9	-31.7	-172.9	-62.8	167.5	-147.1	0	0	111.6	R391	R391-E395 WeakPolarHBondContact CB-OE1 3.37Å; R391-E395 VanDerWaalsContact CG-OE1 3.26Å; R391-E395 WeakPolarHBondContact CG-OE1 3.37Å; R391-E395 IonicContact CZ-OE1 3.08Å; R391-E395 IonicContact CZ-OE2 2.7Å; R391-E395 IonicContact NE-OE1 2.69Å; R391-E395 PolarHBondContact NE-OE1 2.79Å; R391-E395 IonicContact NE-OE2 2.77Å; R391-E395 IonicContact NH2-OE1 3.19Å; R391-E395 IonicContact NH2-OE2 3.76Å; R391-E395 PolarHBondContact NH2-OE2 3.22Å; R391-E395 VanDerWaalsContact O-CB 3.26Å; R391-E395 WeakPolarHBondContact O-CB 2.98Å; R391-E395 PolarHBondContact O-N 2.96Å
396	F	98.5	Very high	97	Very high	24 Å²	24	48.5 Å²	48.5	11%	0.105	23%	0.23	C	C	.	.	H	α-helix	trans	-120.6	-4.8	-171.8	-63.9	-90.4	0	0	0	114.4	L392 V398 Y418 A425 V426	L392-F396 HydrophobicContact CD2-CD2 4.2Å; L392-F396 CarbonylContact O-C 3.57Å; L392-F396 WeakPolarHBondContact O-CA 3.37Å; L392-F396 WeakPolarHBondContact O-CB 3.48Å; L392-F396 PolarHBondContact O-N 3.05Å; F396-V398 HydrophobicContact CB-CG2 3.89Å; F396-V398 PolarHBondContact O-N 2.74Å; F396-Y418 WeakPolarHBondContact CA-OH 3.34Å; F396-Y418 HydrophobicContact CB-CE1 4.45Å; F396-Y418 HydrophobicContact CD1-CE2 4.1Å; F396-Y418 VanDerWaalsContact O-CE1 3.29Å; F396-Y418 WeakPolarHBondContact O-CE1 3.35Å; F396-Y418 PolarHBondContact O-OH 3.3Å; F396-A425 HydrophobicContact CE1-CB 4.43Å; F396-A425 HydrophobicContact CE2-CB 3.93Å; F396-A425 HydrophobicContact CZ-CB 3.48Å; F396-A425 VanDerWaalsContact CZ-CB 3.48Å; F396-V426 HydrophobicContact CE2-CG1 4.33Å
397	S	98.4	Very high	97.1	Very high	9 Å²	9	44.9 Å²	44.9	6%	0.063	21%	0.206	C	C	.	.			trans	55.7	33.8	-172.7	-63.8	0	0	0	0	113.1	D52 N54 K57 M58 L392 T393 Y399	D52-S397 WeakPolarHBondContact OD2-CB 3.47Å; D52-S397 PolarHBondContact OD2-OG 3.01Å; N54-S397 VanDerWaalsContact CB-OG 3.31Å; N54-S397 WeakPolarHBondContact CB-OG 3.31Å; N54-S397 WeakPolarHBondContact ND2-CB 3.27Å; N54-S397 PolarHBondContact ND2-OG 3.07Å; K57-S397 CarbonylContact C-O 3.56Å; K57-S397 VanDerWaalsContact CA-O 3.28Å; K57-S397 WeakPolarHBondContact CA-O 3.4Å; M58-S397 PolarHBondContact N-O 3.19Å; L392-S397 PolarHBondContact O-N 3.27Å; T393-S397 VanDerWaalsContact O-CA 3.31Å; T393-S397 WeakPolarHBondContact O-CA 3.27Å; T393-S397 PolarHBondContact O-N 3.01Å; S397-Y399 VanDerWaalsContact O-CD2 3.25Å; S397-Y399 WeakPolarHBondContact O-CD2 3.45Å; S397-Y399 WeakPolarHBondContact O-CE2 3.26Å
398	V	98.4	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	106.8	175.9	178.8	0	0	0	0	108.9	M58 L60 L392 F396 M400 Y418 L419	M58-V398 HydrophobicContact CB-CG1 4.5Å; M58-V398 HydrophobicContact CB-CG2 4.38Å; M58-V398 HydrophobicContact SD-CG2 4.2Å; L60-V398 HydrophobicContact CD1-CG1 3.71Å; L60-V398 HydrophobicContact CG-CG1 4.27Å; L392-V398 HydrophobicContact CB-CB 4.26Å; L392-V398 PolarHBondContact O-N 3.18Å; F396-V398 HydrophobicContact CB-CG2 3.89Å; F396-V398 PolarHBondContact O-N 2.74Å; V398-M400 HydrophobicContact CG1-CE 3.63Å; V398-Y418 HydrophobicContact CG2-CE1 4.32Å; V398-L419 HydrophobicContact CG1-CD1 3.75Å; V398-L419 HydrophobicContact CG2-CD1 4.44Å
399	Y	97.6	Very high	96.9	Very high	25 Å²	25	38.2 Å²	38.2	10%	0.098	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.7	-173.4	-69.7	-93	0	0	0	111.1	A48 F49 D52 K57 M58 L60 G61 T393 S397	A48-Y399 HydrophobicContact CB-CD1 3.96Å; A48-Y399 HydrophobicContact CB-CE1 3.57Å; F49-Y399 HydrophobicContact CB-CD1 4.17Å; F49-Y399 HydrophobicContact CB-CD2 3.84Å; F49-Y399 HydrophobicContact CB-CE2 4.31Å; F49-Y399 HydrophobicContact CB-CG 3.77Å; F49-Y399 AromaticContact CD2-CD2 3.8Å; F49-Y399 HydrophobicContact CD2-CD2 3.8Å; F49-Y399 HydrophobicContact CD2-CE2 4.36Å; F49-Y399 HydrophobicContact CD2-CG 4.43Å; F49-Y399 HydrophobicContact CG-CD2 4.33Å; D52-Y399 HydrophobicContact CB-CE2 4.02Å; D52-Y399 VanDerWaalsContact CB-OH 3.31Å; D52-Y399 WeakPolarHBondContact CB-OH 3.46Å; D52-Y399 VanDerWaalsContact CG-OH 3.31Å; D52-Y399 VanDerWaalsContact OD2-CE2 3.24Å; D52-Y399 WeakPolarHBondContact OD2-CE2 3.4Å; D52-Y399 PolarHBondContact OD2-OH 3.44Å; K57-Y399 HydrophobicContact CB-CE2 4.48Å; M58-Y399 WeakPolarHBondContact O-CB 3.48Å; M58-Y399 PolarHBondContact O-N 3.18Å; L60-Y399 CarbonylContact C-O 3.54Å; L60-Y399 VanDerWaalsContact CA-O 3.3Å; L60-Y399 WeakPolarHBondContact CA-O 3.46Å; L60-Y399 WeakPolarHBondContact CB-O 3.29Å; L60-Y399 PolarHBondContact N-O 2.9Å; G61-Y399 PolarHBondContact N-O 2.9Å; T393-Y399 HydrophobicContact CG2-CD1 3.83Å; T393-Y399 HydrophobicContact CG2-CE1 3.56Å; S397-Y399 VanDerWaalsContact O-CD2 3.25Å; S397-Y399 WeakPolarHBondContact O-CD2 3.45Å; S397-Y399 WeakPolarHBondContact O-CE2 3.26Å
400	M	96.6	Very high	96.9	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.025	18%	0.179	C	C	.	.			trans	-143.1	172.6	177.1	64.7	-179.2	70.4	0	0	110.8	V45 L60 L384 V389 L392 V398 I406	V45-M400 WeakPolarHBondContact CG2-O 3.35Å; L60-M400 HydrophobicContact CB-CB 4.3Å; L60-M400 HydrophobicContact CD1-CE 4.2Å; L384-M400 HydrophobicContact CD1-CE 4.46Å; L384-M400 HydrophobicContact CD1-SD 4.1Å; V389-M400 HydrophobicContact CB-CG 4.43Å; V389-M400 HydrophobicContact CG1-CG 3.6Å; V389-M400 HydrophobicContact CG1-SD 4.38Å; V389-M400 HydrophobicContact CG2-CG 4.2Å; V389-M400 HydrophobicContact CG2-SD 3.97Å; L392-M400 HydrophobicContact CD1-CE 3.56Å; L392-M400 HydrophobicContact CD1-SD 4.15Å; V398-M400 HydrophobicContact CG1-CE 3.63Å; M400-I406 HydrophobicContact CB-CG2 3.97Å; M400-I406 HydrophobicContact CE-CG2 3.4Å; M400-I406 VanDerWaalsContact CE-CG2 3.4Å; M400-I406 HydrophobicContact CG-CG2 4.41Å; M400-I406 HydrophobicContact SD-CG2 3.55Å; M400-I406 VanDerWaalsContact SD-CG2 3.55Å
401	T	93.9	Very high	96.9	Very high	8 Å²	8	34.1 Å²	34.1	5%	0.049	16%	0.158	C	C	.	.			trans	-80	151.6	177.6	47.4	0	0	0	0	111.1	I42 V45 D403 G404 R405	I42-T401 HydrophobicContact CG1-CG2 4.18Å; V45-T401 HydrophobicContact CG2-CG2 4.33Å; T401-D403 WeakPolarHBondContact CB-OD1 3.28Å; T401-D403 PolarHBondContact O-N 3.01Å; T401-D403 VanDerWaalsContact O-N 3.08Å; T401-D403 PolarHBondContact OG1-OD1 2.96Å; T401-G404 PolarHBondContact O-N 3.08Å; T401-R405 VanDerWaalsContact OG1-CB 3.28Å; T401-R405 WeakPolarHBondContact OG1-CB 3.35Å; T401-R405 PolarHBondContact OG1-O 3.06Å
402	K	93.1	Very high	96.9	Very high	163 Å²	163	30 Å²	30	71%	0.709	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.8	-173.5	-72.2	-168.4	173.2	-170.4	0	114.9	G404	K402-G404 PolarHBondContact O-N 2.94Å
403	D	92.1	Very high	96.9	Very high	77 Å²	77	33.1 Å²	33.1	41%	0.412	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	2.6	174.9	61.5	-9.1	0	0	0	113.3	F381 T401 R405	F381-D403 HydrophobicContact CE1-CB 4.45Å; F381-D403 HydrophobicContact CZ-CB 4.03Å; T401-D403 WeakPolarHBondContact CB-OD1 3.28Å; T401-D403 PolarHBondContact O-N 3.01Å; T401-D403 VanDerWaalsContact O-N 3.08Å; T401-D403 PolarHBondContact OG1-OD1 2.96Å; D403-R405 VanDerWaalsContact C-N 3.31Å; D403-R405 WeakPolarHBondContact OD1-CB 3.45Å; D403-R405 PolarHBondContact OD1-N 3.4Å
404	G	95.2	Very high	96.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.			trans	79.8	10.7	-179.8	0	0	0	0	0	113.6	T382 T401 K402 I406	T382-G404 WeakPolarHBondContact CB-O 3.25Å; T382-G404 WeakPolarHBondContact CG2-O 3.24Å; T382-G404 PolarHBondContact N-O 3.22Å; T382-G404 PolarHBondContact OG1-O 3.37Å; T401-G404 PolarHBondContact O-N 3.08Å; K402-G404 PolarHBondContact O-N 2.94Å; G404-I406 PolarHBondContact O-N 3.32Å
405	R	96.8	Very high	96.9	Very high	12 Å²	12	29.9 Å²	29.9	5%	0.045	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126.2	173.1	-166.2	-163	69.5	-167.6	0.2	111	G61 P214 F379 C380 F381 T401 D403	G61-R405 PolarHBondContact O-NH2 3.46Å; P214-R405 VanDerWaalsContact CB-CD 3.5Å; P214-R405 HydrophobicContact CB-CG 3.95Å; P214-R405 WeakPolarHBondContact O-CG 3.44Å; F379-R405 HydrophobicContact CB-CG 4.24Å; F379-R405 HydrophobicContact CD1-CG 4.25Å; F379-R405 HydrophobicContact CG-CG 4.47Å; C380-R405 CarbonylContact O-C 3.35Å; C380-R405 WeakPolarHBondContact O-CA 3.44Å; F381-R405 HydrophobicContact CD1-CB 3.82Å; F381-R405 HydrophobicContact CD1-CG 4.03Å; F381-R405 HydrophobicContact CE1-CB 3.64Å; F381-R405 HydrophobicContact CE1-CG 4.05Å; T401-R405 VanDerWaalsContact OG1-CB 3.28Å; T401-R405 WeakPolarHBondContact OG1-CB 3.35Å; T401-R405 PolarHBondContact OG1-O 3.06Å; D403-R405 VanDerWaalsContact C-N 3.31Å; D403-R405 WeakPolarHBondContact OD1-CB 3.45Å; D403-R405 PolarHBondContact OD1-N 3.4Å
406	I	97.4	Very high	96.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.8	165.8	65.9	176.3	0	0	0	111.2	L60 L356 F379 C380 T382 M400 G404 M408	L60-I406 HydrophobicContact CB-CB 4.03Å; L60-I406 HydrophobicContact CB-CG2 4.17Å; L60-I406 HydrophobicContact CD1-CB 4.13Å; L60-I406 HydrophobicContact CD1-CG2 3.95Å; L60-I406 CarbonylContact O-C 3.47Å; L356-I406 HydrophobicContact CD2-CD1 4.09Å; F379-I406 WeakPolarHBondContact CA-O 3.43Å; C380-I406 HydrophobicContact CB-CD1 4.25Å; C380-I406 HydrophobicContact CB-CG1 3.69Å; C380-I406 PolarHBondContact N-O 3.33Å; C380-I406 PolarHBondContact O-N 3.11Å; T382-I406 HydrophobicContact CG2-CB 4.33Å; T382-I406 HydrophobicContact CG2-CD1 3.66Å; T382-I406 HydrophobicContact CG2-CG1 3.72Å; T382-I406 HydrophobicContact CG2-CG2 3.77Å; M400-I406 HydrophobicContact CB-CG2 3.97Å; M400-I406 HydrophobicContact CE-CG2 3.4Å; M400-I406 VanDerWaalsContact CE-CG2 3.4Å; M400-I406 HydrophobicContact CG-CG2 4.41Å; M400-I406 HydrophobicContact SD-CG2 3.55Å; M400-I406 VanDerWaalsContact SD-CG2 3.55Å; G404-I406 PolarHBondContact O-N 3.32Å; I406-M408 HydrophobicContact CD1-SD 3.64Å; I406-M408 HydrophobicContact CG1-SD 4.03Å
407	S	97.2	Very high	96.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	108.5	166.9	-175.2	0	0	0	0	109	L60 V62 M378 A409 G410	L60-S407 VanDerWaalsContact O-CB 3.31Å; L60-S407 WeakPolarHBondContact O-CB 3.28Å; L60-S407 PolarHBondContact O-N 2.96Å; V62-S407 WeakPolarHBondContact O-CB 3.45Å; V62-S407 PolarHBondContact O-OG 3.19Å; M378-S407 CarbonylContact O-C 3.38Å; M378-S407 WeakPolarHBondContact O-CA 3.5Å; S407-A409 PolarHBondContact O-N 2.97Å; S407-A409 VanDerWaalsContact O-N 3.11Å; S407-G410 PolarHBondContact O-N 3.03Å
408	M	97.8	Very high	96.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-60.9	-18.6	174.5	-64.6	-52.2	-57.7	0	0	112	I349 M352 R353 L356 M378 C380 I406 G410 V411	I349-M408 HydrophobicContact CD1-CB 4.16Å; I349-M408 HydrophobicContact CG2-CB 3.88Å; M352-M408 HydrophobicContact CB-CE 3.85Å; R353-M408 HydrophobicContact CB-CE 4.37Å; R353-M408 HydrophobicContact CG-CE 3.74Å; R353-M408 HydrophobicContact CG-CG 3.98Å; R353-M408 HydrophobicContact CG-SD 4.24Å; L356-M408 HydrophobicContact CD2-CE 4.32Å; M378-M408 WeakPolarHBondContact O-CB 3.47Å; M378-M408 PolarHBondContact O-N 2.97Å; C380-M408 HydrophobicContact CB-CG 4.08Å; C380-M408 HydrophobicContact CB-SD 4.06Å; I406-M408 HydrophobicContact CD1-SD 3.64Å; I406-M408 HydrophobicContact CG1-SD 4.03Å; M408-G410 PolarHBondContact O-N 3.47Å; M408-V411 HydrophobicContact CE-CB 4.19Å; M408-V411 HydrophobicContact CE-CG1 4.45Å; M408-V411 HydrophobicContact CE-CG2 3.89Å; M408-V411 PolarHBondContact O-N 3.42Å; M408-V411 VanDerWaalsContact O-N 3.15Å; M408-V411 HydrophobicContact SD-CG2 4.24Å
409	A	96.1	Very high	96.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-60.8	-30.8	171.7	0	0	0	0	0	113.1	A64 R66 R348 I349 M378 S407 V411	A64-A409 WeakPolarHBondContact O-CB 3.17Å; R66-A409 WeakPolarHBondContact CB-O 3.37Å; R348-A409 PolarHBondContact NH2-O 3.07Å; I349-A409 HydrophobicContact CD1-CB 4.19Å; M378-A409 HydrophobicContact CG-CB 3.71Å; M378-A409 HydrophobicContact SD-CB 3.82Å; S407-A409 PolarHBondContact O-N 2.97Å; S407-A409 VanDerWaalsContact O-N 3.11Å; A409-V411 VanDerWaalsContact C-N 3.31Å
410	G	96.9	Very high	97	Very high	11 Å²	11	26.7 Å²	26.7	11%	0.113	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-82.2	-6.8	177.6	0	0	0	0	0	114.5	S407 M408 N415	S407-G410 PolarHBondContact O-N 3.03Å; M408-G410 PolarHBondContact O-N 3.47Å; G410-N415 PolarHBondContact O-ND2 2.81Å
411	V	98.1	Very high	97.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.181	C	C	.	.			trans	-87	135	176.1	-172.5	0	0	0	0	108.8	L60 R348 M352 M408 A409 N415 V416 L419	L60-V411 HydrophobicContact CD2-CG2 3.91Å; R348-V411 PolarHBondContact NH1-O 2.57Å; M352-V411 HydrophobicContact CB-CB 4.1Å; M352-V411 HydrophobicContact CB-CG1 4Å; M352-V411 HydrophobicContact CG-CB 4.22Å; M352-V411 HydrophobicContact CG-CG1 4.21Å; M352-V411 WeakPolarHBondContact CG-O 3.3Å; M352-V411 HydrophobicContact SD-CB 4.49Å; M352-V411 HydrophobicContact SD-CG1 4.01Å; M408-V411 HydrophobicContact CE-CB 4.19Å; M408-V411 HydrophobicContact CE-CG1 4.45Å; M408-V411 HydrophobicContact CE-CG2 3.89Å; M408-V411 PolarHBondContact O-N 3.42Å; M408-V411 VanDerWaalsContact O-N 3.15Å; M408-V411 HydrophobicContact SD-CG2 4.24Å; A409-V411 VanDerWaalsContact C-N 3.31Å; V411-N415 WeakPolarHBondContact CA-OD1 3.21Å; V411-V416 HydrophobicContact CG1-CB 3.71Å; V411-V416 HydrophobicContact CG1-CG2 3.76Å; V411-L419 HydrophobicContact CG1-CD2 4.37Å; V411-L419 HydrophobicContact CG2-CD2 3.71Å
412	T	98.3	Very high	97.3	Very high	9 Å²	9	30.3 Å²	30.3	6%	0.055	18%	0.178	C	C	.	.			trans	-132.7	161.5	179.8	69.8	0	0	0	0	110.4	D68 M352 A414 N415 V416	D68-T412 WeakPolarHBondContact O-CB 3.25Å; D68-T412 VanDerWaalsContact O-CG2 3.25Å; D68-T412 WeakPolarHBondContact O-CG2 3.47Å; D68-T412 WeakPolarHBondContact OD1-CA 3.39Å; M352-T412 VanDerWaalsContact SD-CA 3.51Å; T412-A414 PolarHBondContact O-N 2.92Å; T412-A414 VanDerWaalsContact O-N 3.11Å; T412-A414 PolarHBondContact OG1-N 3.16Å; T412-N415 PolarHBondContact N-OD1 2.97Å; T412-N415 PolarHBondContact O-N 3.04Å; T412-N415 PolarHBondContact O-OD1 3.22Å; T412-N415 VanDerWaalsContact OG1-CG 3.28Å; T412-N415 PolarHBondContact OG1-N 3.05Å; T412-N415 PolarHBondContact OG1-ND2 3.33Å; T412-V416 WeakPolarHBondContact O-CB 3.31Å; T412-V416 PolarHBondContact O-N 3.24Å
413	S	98	Very high	97.6	Very high	65 Å²	65	22.6 Å²	22.6	46%	0.455	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-30.7	175.2	65	0	0	0	0	113	D68	D68-S413 PolarHBondContact OD1-N 3.5Å; D68-S413 WeakPolarHBondContact OD2-CB 3.36Å; D68-S413 PolarHBondContact OD2-OG 3.29Å
414	A	97.8	Very high	97.9	Very high	90 Å²	90	20.4 Å²	20.4	74%	0.744	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-25.4	179.3	0	0	0	0	0	114.3	T412	T412-A414 PolarHBondContact O-N 2.92Å; T412-A414 VanDerWaalsContact O-N 3.11Å; T412-A414 PolarHBondContact OG1-N 3.16Å
415	N	98.2	Very high	98	Very high	31 Å²	31	21.3 Å²	21.3	17%	0.166	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-13.7	-173.9	75.8	20.3	0	0	0	114.5	M58 G410 V411 T412 G417 Y418 L419	M58-N415 HydrophobicContact CE-CB 3.96Å; M58-N415 WeakPolarHBondContact CE-ND2 3.17Å; M58-N415 VanDerWaalsContact CE-OD1 3.28Å; M58-N415 WeakPolarHBondContact CE-OD1 3.4Å; M58-N415 HydrophobicContact CG-CB 4.41Å; M58-N415 HydrophobicContact SD-CB 3.92Å; G410-N415 PolarHBondContact O-ND2 2.81Å; V411-N415 WeakPolarHBondContact CA-OD1 3.21Å; T412-N415 PolarHBondContact N-OD1 2.97Å; T412-N415 PolarHBondContact O-N 3.04Å; T412-N415 PolarHBondContact O-OD1 3.22Å; T412-N415 VanDerWaalsContact OG1-CG 3.28Å; T412-N415 PolarHBondContact OG1-N 3.05Å; T412-N415 PolarHBondContact OG1-ND2 3.33Å; N415-G417 VanDerWaalsContact C-N 3.27Å; N415-G417 PolarHBondContact O-N 3.47Å; N415-Y418 WeakPolarHBondContact O-CB 3.45Å; N415-Y418 PolarHBondContact O-N 3.22Å; N415-Y418 VanDerWaalsContact O-N 3.08Å; N415-L419 PolarHBondContact O-N 2.75Å
416	V	98.6	Very high	98.1	Very high	11 Å²	11	21 Å²	21	7%	0.067	14%	0.14	C	C	.	.	H	α-helix	trans	-60.8	-34.6	-176.1	66.6	0	0	0	0	113	Q355 L356 V411 T412 L419 A420	Q355-V416 HydrophobicContact CB-CG1 4.11Å; Q355-V416 HydrophobicContact CB-CG2 3.98Å; L356-V416 HydrophobicContact CB-CG2 3.87Å; L356-V416 HydrophobicContact CD1-CG2 4.34Å; V411-V416 HydrophobicContact CG1-CB 3.71Å; V411-V416 HydrophobicContact CG1-CG2 3.76Å; T412-V416 WeakPolarHBondContact O-CB 3.31Å; T412-V416 PolarHBondContact O-N 3.24Å; V416-L419 PolarHBondContact O-N 2.97Å; V416-A420 PolarHBondContact O-N 2.62Å
417	G	98.6	Very high	98.1	Very high	41 Å²	41	21.7 Å²	21.7	42%	0.423	14%	0.144	S	C	.	.	H	α-helix	trans	-64.8	-42.3	174.6	0	0	0	0	0	112.9	N415 A420 E421	N415-G417 VanDerWaalsContact C-N 3.27Å; N415-G417 PolarHBondContact O-N 3.47Å; G417-A420 PolarHBondContact O-N 3.14Å; G417-E421 PolarHBondContact O-N 3.46Å
418	Y	98.7	Very high	97.8	Very high	38 Å²	38	31 Å²	31	15%	0.149	18%	0.184	C	C	.	.	H	α-helix	trans	-68.1	-36.1	176.3	-179.3	-111.5	0	0	0	111.9	K56 M58 F396 V398 N415 E421 G422	K56-Y418 HydrophobicContact CB-CD1 4.31Å; K56-Y418 HydrophobicContact CB-CE1 3.79Å; K56-Y418 HydrophobicContact CB-CE2 4.45Å; K56-Y418 HydrophobicContact CD-CD2 4.08Å; K56-Y418 HydrophobicContact CD-CE2 3.71Å; K56-Y418 WeakPolarHBondContact O-CE1 3.31Å; M58-Y418 HydrophobicContact SD-CD1 3.97Å; F396-Y418 WeakPolarHBondContact CA-OH 3.34Å; F396-Y418 HydrophobicContact CB-CE1 4.45Å; F396-Y418 HydrophobicContact CD1-CE2 4.1Å; F396-Y418 VanDerWaalsContact O-CE1 3.29Å; F396-Y418 WeakPolarHBondContact O-CE1 3.35Å; F396-Y418 PolarHBondContact O-OH 3.3Å; V398-Y418 HydrophobicContact CG2-CE1 4.32Å; N415-Y418 WeakPolarHBondContact O-CB 3.45Å; N415-Y418 PolarHBondContact O-N 3.22Å; N415-Y418 VanDerWaalsContact O-N 3.08Å; Y418-E421 PolarHBondContact O-N 3.29Å; Y418-G422 PolarHBondContact O-N 3.12Å
419	L	98.7	Very high	97.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-45	172.4	-178.6	58.7	0	0	0	111.8	M58 L60 L356 V398 V411 N415 V416 E421 G422 I423	M58-L419 HydrophobicContact CE-CB 3.84Å; M58-L419 HydrophobicContact CE-CD1 4.35Å; M58-L419 HydrophobicContact CE-CD2 4.05Å; M58-L419 HydrophobicContact CE-CG 4.31Å; M58-L419 HydrophobicContact SD-CB 4.1Å; L60-L419 HydrophobicContact CD1-CD1 3.67Å; L60-L419 HydrophobicContact CD1-CD2 3.82Å; L60-L419 HydrophobicContact CD1-CG 4.42Å; L356-L419 HydrophobicContact CD1-CB 4.34Å; L356-L419 HydrophobicContact CD1-CD2 3.93Å; L356-L419 HydrophobicContact CD1-CG 3.89Å; L356-L419 HydrophobicContact CD2-CD2 4Å; V398-L419 HydrophobicContact CG1-CD1 3.75Å; V398-L419 HydrophobicContact CG2-CD1 4.44Å; V411-L419 HydrophobicContact CG1-CD2 4.37Å; V411-L419 HydrophobicContact CG2-CD2 3.71Å; N415-L419 PolarHBondContact O-N 2.75Å; V416-L419 PolarHBondContact O-N 2.97Å; L419-E421 VanDerWaalsContact C-N 3.35Å; L419-G422 PolarHBondContact O-N 3.13Å; L419-I423 HydrophobicContact CD1-CD1 3.82Å; L419-I423 HydrophobicContact CD1-CG1 4.05Å; L419-I423 HydrophobicContact CG-CD1 3.88Å; L419-I423 HydrophobicContact CG-CG1 4.44Å; L419-I423 WeakPolarHBondContact O-CB 3.31Å; L419-I423 WeakPolarHBondContact O-CG1 3.35Å; L419-I423 PolarHBondContact O-N 2.93Å
420	A	98.8	Very high	97.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-42.4	177.3	0	0	0	0	0	112	L356 L360 Q363 V416 G417 H424	L356-A420 HydrophobicContact CD1-CB 4.18Å; L360-A420 HydrophobicContact CD2-CB 4.38Å; L360-A420 HydrophobicContact CG-CB 4.21Å; Q363-A420 HydrophobicContact CG-CB 4.33Å; V416-A420 PolarHBondContact O-N 2.62Å; G417-A420 PolarHBondContact O-N 3.14Å; A420-H424 VanDerWaalsContact O-CB 3.29Å; A420-H424 WeakPolarHBondContact O-CB 3.17Å; A420-H424 PolarHBondContact O-N 2.81Å
421	E	98.7	Very high	98	Very high	88 Å²	88	35.6 Å²	35.6	41%	0.411	21%	0.209	S	C	.	.	H	α-helix	trans	-57.3	-51.8	173.4	-177.4	-171.3	167.1	0	0	111.3	G417 Y418 L419 H424 A425	G417-E421 PolarHBondContact O-N 3.46Å; Y418-E421 PolarHBondContact O-N 3.29Å; L419-E421 VanDerWaalsContact C-N 3.35Å; E421-H424 PolarHBondContact O-N 2.68Å; E421-A425 WeakPolarHBondContact O-CB 3.37Å; E421-A425 PolarHBondContact O-N 2.82Å
422	G	98.6	Very high	98	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-46.9	179.8	0	0	0	0	0	112.9	L392 Y418 L419 H424 A425 V426	L392-G422 WeakPolarHBondContact CD2-O 3.42Å; Y418-G422 PolarHBondContact O-N 3.12Å; L419-G422 PolarHBondContact O-N 3.13Å; G422-H424 PolarHBondContact O-N 3.17Å; G422-A425 PolarHBondContact O-N 2.79Å; G422-V426 PolarHBondContact O-N 2.71Å
423	I	98.7	Very high	98	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-44.3	178.6	-70.7	176.1	0	0	0	110.4	L356 L360 W369 L384 L392 L419 A425 V426 T427	L356-I423 HydrophobicContact CD1-CD1 4.33Å; L360-I423 HydrophobicContact CD2-CB 3.84Å; L360-I423 HydrophobicContact CD2-CG2 3.55Å; W369-I423 HydrophobicContact CH2-CG2 3.64Å; W369-I423 HydrophobicContact CZ2-CG2 3.7Å; W369-I423 HydrophobicContact CZ3-CG2 4.36Å; L384-I423 HydrophobicContact CD1-CG1 4.33Å; L384-I423 HydrophobicContact CD2-CG2 4.45Å; L392-I423 HydrophobicContact CD1-CG1 4.16Å; L392-I423 HydrophobicContact CD2-CG1 4.48Å; L419-I423 HydrophobicContact CD1-CD1 3.82Å; L419-I423 HydrophobicContact CD1-CG1 4.05Å; L419-I423 HydrophobicContact CG-CD1 3.88Å; L419-I423 HydrophobicContact CG-CG1 4.44Å; L419-I423 WeakPolarHBondContact O-CB 3.31Å; L419-I423 WeakPolarHBondContact O-CG1 3.35Å; L419-I423 PolarHBondContact O-N 2.93Å; I423-A425 PolarHBondContact O-N 2.71Å; I423-V426 WeakPolarHBondContact O-CG2 3.16Å; I423-V426 PolarHBondContact O-N 2.79Å; I423-T427 HydrophobicContact CG2-CG2 4.45Å; I423-T427 WeakPolarHBondContact O-CB 3.46Å; I423-T427 WeakPolarHBondContact O-CG2 3.17Å; I423-T427 PolarHBondContact O-N 2.87Å; I423-T427 PolarHBondContact O-OG1 3.45Å
424	H	98.6	Very high	98	Very high	31 Å²	31	37.8 Å²	37.8	14%	0.144	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-45.6	176.4	177.5	58.5	0	0	0	111.5	Q363 A420 E421 G422 V426 T427 K428	Q363-H424 HydrophobicContact CB-CB 3.87Å; Q363-H424 HydrophobicContact CG-CB 4.48Å; Q363-H424 PolarHBondContact O-CD2 3.21Å; Q363-H424 PolarHBondContact O-NE2 2.73Å; A420-H424 VanDerWaalsContact O-CB 3.29Å; A420-H424 WeakPolarHBondContact O-CB 3.17Å; A420-H424 PolarHBondContact O-N 2.81Å; E421-H424 PolarHBondContact O-N 2.68Å; G422-H424 PolarHBondContact O-N 3.17Å; H424-V426 PolarHBondContact O-N 3.15Å; H424-T427 PolarHBondContact O-N 2.82Å; H424-T427 VanDerWaalsContact O-N 3.09Å; H424-T427 PolarHBondContact O-OG1 2.88Å; H424-K428 WeakPolarHBondContact O-CB 3.46Å; H424-K428 PolarHBondContact O-N 3.09Å
425	A	98.5	Very high	98	Very high	20 Å²	20	34.1 Å²	34.1	17%	0.165	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-28	-179.4	0	0	0	0	0	114.3	R391 F396 E421 G422 I423	R391-A425 PolarHBondContact NH2-O 2.92Å; F396-A425 HydrophobicContact CE1-CB 4.43Å; F396-A425 HydrophobicContact CE2-CB 3.93Å; F396-A425 HydrophobicContact CZ-CB 3.48Å; F396-A425 VanDerWaalsContact CZ-CB 3.48Å; E421-A425 WeakPolarHBondContact O-CB 3.37Å; E421-A425 PolarHBondContact O-N 2.82Å; G422-A425 PolarHBondContact O-N 2.79Å; I423-A425 PolarHBondContact O-N 2.71Å
426	V	98.3	Very high	97.9	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.036	18%	0.18	C	C	.	.	H	α-helix	trans	-93.9	-8	177.3	-53.9	0	0	0	0	114.2	L384 Q388 R391 L392 F396 G422 I423 H424	L384-V426 HydrophobicContact CD2-CG2 4.4Å; Q388-V426 HydrophobicContact CB-CB 4.27Å; Q388-V426 HydrophobicContact CB-CG2 3.99Å; Q388-V426 WeakPolarHBondContact CG-O 3.39Å; Q388-V426 PolarHBondContact NE2-O 2.94Å; R391-V426 HydrophobicContact CB-CB 4.39Å; R391-V426 HydrophobicContact CB-CG1 3.63Å; L392-V426 HydrophobicContact CD1-CG2 4.15Å; L392-V426 HydrophobicContact CD2-CG1 4.17Å; L392-V426 HydrophobicContact CD2-CG2 4.15Å; L392-V426 HydrophobicContact CG-CG1 4.08Å; L392-V426 HydrophobicContact CG-CG2 3.84Å; F396-V426 HydrophobicContact CE2-CG1 4.33Å; G422-V426 PolarHBondContact O-N 2.71Å; I423-V426 WeakPolarHBondContact O-CG2 3.16Å; I423-V426 PolarHBondContact O-N 2.79Å; H424-V426 PolarHBondContact O-N 3.15Å
427	T	97.7	Very high	97.9	Very high	14 Å²	14	36.3 Å²	36.3	9%	0.086	19%	0.189	C	C	.	.	H	α-helix	trans	-115.8	-14.4	-178.2	54.4	0	0	0	0	114.5	H367 W369 L384 I423 H424	H367-T427 PolarHBondContact CE1-O 2.99Å; W369-T427 HydrophobicContact CH2-CG2 4.15Å; W369-T427 HydrophobicContact CZ2-CG2 4.09Å; L384-T427 HydrophobicContact CD2-CG2 3.38Å; I423-T427 HydrophobicContact CG2-CG2 4.45Å; I423-T427 WeakPolarHBondContact O-CB 3.46Å; I423-T427 WeakPolarHBondContact O-CG2 3.17Å; I423-T427 PolarHBondContact O-N 2.87Å; I423-T427 PolarHBondContact O-OG1 3.45Å; H424-T427 PolarHBondContact O-N 2.82Å; H424-T427 VanDerWaalsContact O-N 3.09Å; H424-T427 PolarHBondContact O-OG1 2.88Å
428	K	90.9	Very high	97.8	Very high	196 Å²	196	35.8 Å²	35.8	85%	0.852	17%	0.168	S	C	*	.			trans	-67.6	0	-178.3	69.1	-180	-179.6	-179.3	0	115.2	H424	H424-K428 WeakPolarHBondContact O-CB 3.46Å; H424-K428 PolarHBondContact O-N 3.09Å

Retrieved 428 of 428 residues in 584.2 ms (Link to these results)

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