A0A2K6A218_MANLE Loading...

Actin-related protein 8

Plays an important role in the functional organization of mitotic chromosomes. Exhibits low basal ATPase activity, and unable to polymerize.

AlphaFold DB , UniProt , Accession A0A2K6A218, Species MANLE (Mandrillus leucophaeus, Drill), Gene ACTR8, Length 624 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	35.8	Very low	32.3	Very low	233 Å²	233	148.2 Å²	148.2	100%	1.148	82%	0.817	S	S	*	*				0	75.7	0	-73.4	173.3	171.2	0	0	106.3
2	T	32.9	Very low	32.2	Very low	115 Å²	115	142.1 Å²	142.1	71%	0.706	81%	0.813	S	S	*	*				83.2	98	96.2	45.5	0	0	0	0	110.2
3	Q	31.4	Very low	32.3	Very low	188 Å²	188	146.8 Å²	146.8	88%	0.879	82%	0.818	S	S	*	*				92.6	145.2	102.2	-84.7	-175.1	-6.3	0	0	109.4
4	A	33.5	Very low	32.3	Very low	74 Å²	74	149.9 Å²	149.9	61%	0.612	82%	0.824	S	S	*	*			cis	-172.6	152.7	-2.4	0	0	0	0	0	106.7
5	E	33.8	Very low	32.4	Very low	151 Å²	151	153.7 Å²	153.7	71%	0.706	83%	0.828	S	S	*	*			trans	61.1	130.9	133.6	-72.7	-167.2	134.5	0	0	124.4
6	K	30.7	Very low	32.1	Very low	178 Å²	178	149.1 Å²	149.1	77%	0.774	83%	0.828	S	S	*	*			trans	69.3	117.9	131.2	-71	170.9	174.9	152	0	118.2
7	G	27	Very low	32	Very low	67 Å²	67	144.7 Å²	144.7	69%	0.691	83%	0.825	S	S	*	*				117.7	149.6	98.7	0	0	0	0	0	106
8	D	30.3	Very low	31.9	Very low	166 Å²	166	145.5 Å²	145.5	89%	0.888	82%	0.82	S	S	*	*			cis	-152.6	157.6	8.3	-93.3	-47.2	0	0	0	106.9
9	A	35.2	Very low	31.9	Very low	92 Å²	92	146.4 Å²	146.4	76%	0.76	82%	0.815	S	S	*	*			trans	-74	140.5	165.4	0	0	0	0	0	109.7
10	E	32.2	Very low	31.7	Very low	202 Å²	202	148.5 Å²	148.5	94%	0.944	82%	0.818	S	S	*	*			trans	-153.5	141.3	145.2	-120.7	175.3	-164.9	0	0	113.4
11	N	32.6	Very low	31.8	Very low	164 Å²	164	150.7 Å²	150.7	88%	0.877	82%	0.819	S	S	*	*			trans	-97.9	133.2	-165.4	-147.4	-1.2	0	0	0	107.9
12	G	30.7	Very low	31.5	Very low	75 Å²	75	148.3 Å²	148.3	77%	0.773	81%	0.805	S	S	*	*			trans	-148.9	83.5	178.9	0	0	0	0	0	112.2
13	K	33.8	Very low	31.5	Very low	203 Å²	203	151.7 Å²	151.7	88%	0.883	81%	0.813	S	S	*	*			trans	-77.1	127.4	160.1	-86.6	179.5	173.9	174.5	0	108.4
14	E	31.9	Very low	31.7	Very low	191 Å²	191	154.3 Å²	154.3	89%	0.893	82%	0.815	S	S	*	*			trans	-163	159.8	131.5	-114.5	179.1	-175.1	0	0	113.4
15	K	34.1	Very low	31.6	Very low	206 Å²	206	154.2 Å²	154.2	90%	0.896	82%	0.821	S	S	*	*			trans	-79.4	149.2	-150.5	-68.6	159.8	169.9	171.6	0	114.6
16	G	28.3	Very low	31.7	Very low	80 Å²	80	153.6 Å²	153.6	83%	0.825	83%	0.827	S	S	*	*			trans	-162.4	100.4	155.6	0	0	0	0	0	109.7
17	G	29.7	Very low	32.1	Very low	75 Å²	75	154.2 Å²	154.2	77%	0.773	83%	0.83	S	S	*	*			trans	-76.3	147.1	173.9	0	0	0	0	0	111.3
18	E	30.9	Very low	32.4	Very low	159 Å²	159	161.6 Å²	161.6	74%	0.743	84%	0.837	S	S	*	*			trans	-179.5	127.5	130.2	-99.3	-165	162	0	0	111.6
19	K	31.5	Very low	32.7	Very low	163 Å²	163	159.4 Å²	159.4	71%	0.709	83%	0.832	S	S	*	*			trans	73.8	91.4	147.1	-64.6	167.8	-174.8	140.9	0	118.8	K21	K19-K21 PolarHBondContact O-N 3.32Å
20	E	28.3	Very low	33.2	Very low	187 Å²	187	162.4 Å²	162.4	87%	0.874	83%	0.833	S	S	*	*			trans	-53.3	119.3	143.2	-78.6	175.4	146	0	0	110.2
21	K	32.3	Very low	33.7	Very low	196 Å²	196	158.5 Å²	158.5	85%	0.852	82%	0.823	S	S	*	*			trans	-112.4	99.3	147.1	-89	-175.9	174.6	178.5	0	106.2	K19 Q23	K19-K21 PolarHBondContact O-N 3.32Å; K21-Q23 PolarHBondContact O-N 3.44Å
22	E	31.1	Very low	35	Very low	183 Å²	183	155.7 Å²	155.7	86%	0.855	81%	0.814	S	S	*	*			trans	-56.5	103.4	164.3	-85.2	-174.2	132.7	0	0	108.6	R24	E22-R24 PolarHBondContact O-N 3.22Å; E22-R24 VanDerWaalsContact O-N 3.16Å
23	Q	32.8	Very low	36.5	Very low	185 Å²	185	156.6 Å²	156.6	86%	0.864	81%	0.814	S	S	*	*			trans	-66.9	110.2	164.5	-79.2	-179.7	-4.2	0	0	107.5	K21 G25	K21-Q23 PolarHBondContact O-N 3.44Å; Q23-G25 PolarHBondContact O-N 3.11Å
24	R	34.8	Very low	38.6	Very low	243 Å²	243	155 Å²	155	92%	0.917	81%	0.814	S	S	*	*			trans	-42.8	116.1	164.9	-82.9	179.1	170	178.8	-3.4	109.1	E22 V26	E22-R24 PolarHBondContact O-N 3.22Å; E22-R24 VanDerWaalsContact O-N 3.16Å; R24-V26 PolarHBondContact O-N 3.45Å; R24-V26 VanDerWaalsContact O-N 3.16Å
25	G	31.5	Very low	41	Very low	72 Å²	72	149.3 Å²	149.3	74%	0.742	79%	0.792	S	S	*	*			trans	-54.3	116.7	-177.1	0	0	0	0	0	112	Q23 K27	Q23-G25 PolarHBondContact O-N 3.11Å; G25-K27 PolarHBondContact O-N 3.29Å
26	V	36.3	Very low	43.4	Very low	139 Å²	139	143 Å²	143	84%	0.842	77%	0.772	S	S	*	*			trans	-66.8	100.8	157.2	179.4	0	0	0	0	105.6	R24 R28	R24-V26 PolarHBondContact O-N 3.45Å; R24-V26 VanDerWaalsContact O-N 3.16Å; V26-R28 PolarHBondContact O-N 3Å
27	K	38.5	Very low	46	Very low	191 Å²	191	146.7 Å²	146.7	83%	0.83	77%	0.768	S	S	*	*			trans	-55.3	112.5	170	-77.5	-176.2	177	-179.6	0	107	G25	G25-K27 PolarHBondContact O-N 3.29Å
28	R	33.3	Very low	48.7	Very low	222 Å²	222	147.8 Å²	147.8	84%	0.838	76%	0.764	S	S	*	*			trans	-52.3	138.8	167.1	-69.8	-179.5	-178.7	-178.1	0.1	107.6	V26 I30	V26-R28 PolarHBondContact O-N 3Å; R28-I30 PolarHBondContact O-N 2.99Å
29	P	38	Very low	51.4	Low	119 Å²	119	143.7 Å²	143.7	77%	0.773	75%	0.747	S	S	*	*			trans	-56.3	118.3	174.3	21.3	-28.9	0	0	0	107.8	V31	P29-V31 VanDerWaalsContact C-N 3.33Å; P29-V31 PolarHBondContact O-N 2.64Å
30	I	44.4	Very low	54	Low	156 Å²	156	140.4 Å²	140.4	80%	0.8	73%	0.734	S	S	*	*			trans	-65.8	101.4	172.2	-61.5	170	0	0	0	104.5	R28 P32	R28-I30 PolarHBondContact O-N 2.99Å; I30-P32 VanDerWaalsContact O-CD 3.3Å; I30-P32 WeakPolarHBondContact O-CD 3.37Å
31	V	43.2	Very low	56.9	Low	120 Å²	120	138.1 Å²	138.1	73%	0.727	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-60.3	118.9	167.5	-178.4	0	0	0	0	105.1	P29 A33	P29-V31 VanDerWaalsContact C-N 3.33Å; P29-V31 PolarHBondContact O-N 2.64Å; V31-A33 PolarHBondContact O-N 3.29Å
32	P	59.1	Low	59.7	Low	104 Å²	104	135.3 Å²	135.3	68%	0.675	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-53.8	135.7	177.8	-22.3	31.9	0	0	0	108.7	I30 L34	I30-P32 VanDerWaalsContact O-CD 3.3Å; I30-P32 WeakPolarHBondContact O-CD 3.37Å; P32-L34 PolarHBondContact O-N 2.85Å; P32-L34 VanDerWaalsContact O-N 3.14Å
33	A	62.9	Low	62.7	Low	94 Å²	94	129.1 Å²	129.1	78%	0.777	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-54.8	124.9	173.9	0	0	0	0	0	108.4	V31 V35	V31-A33 PolarHBondContact O-N 3.29Å; A33-V35 PolarHBondContact O-N 2.73Å
34	L	78.5	Confident	65.6	Low	169 Å²	169	127.4 Å²	127.4	89%	0.885	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-59.9	122.6	176.8	-75.2	160.9	0	0	0	108.3	P32 P36	P32-L34 PolarHBondContact O-N 2.85Å; P32-L34 VanDerWaalsContact O-N 3.14Å; L34-P36 WeakPolarHBondContact O-CD 3.39Å
35	V	82.4	Confident	68.5	Low	73 Å²	73	116.8 Å²	116.8	44%	0.442	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-73.5	125.5	177.1	-177.8	0	0	0	0	107.7	A33 L39 I43	A33-V35 PolarHBondContact O-N 2.73Å; V35-L39 HydrophobicContact CG1-CB 3.95Å; V35-I43 HydrophobicContact CG1-CG2 3.9Å; V35-I43 HydrophobicContact CG2-CG2 4.25Å
36	P	83.9	Confident	71.7	Confident	73 Å²	73	114 Å²	114	47%	0.474	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-57.6	144.1	173.5	-23.7	33.8	0	0	0	111.3	L34 S38 L39 Q40	L34-P36 WeakPolarHBondContact O-CD 3.39Å; P36-S38 PolarHBondContact O-N 3.24Å; P36-S38 VanDerWaalsContact O-N 3.07Å; P36-L39 HydrophobicContact CG-CD1 4.48Å; P36-L39 PolarHBondContact O-N 3.32Å; P36-Q40 PolarHBondContact O-N 2.94Å
37	E	83.3	Confident	74.6	Confident	157 Å²	157	110.8 Å²	110.8	73%	0.734	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-54.7	-32	-179.6	-69.3	-174.8	170.4	0	0	112.9	L39 Q40	E37-L39 PolarHBondContact O-N 3.43Å; E37-Q40 WeakPolarHBondContact O-CG 3.38Å; E37-Q40 PolarHBondContact O-N 3.11Å; E37-Q40 PolarHBondContact O-NE2 2.88Å
38	S	85.1	Confident	77.5	Confident	98 Å²	98	101.9 Å²	101.9	69%	0.685	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-65.6	-18.7	177.1	57.9	0	0	0	0	114.6	P36	P36-S38 PolarHBondContact O-N 3.24Å; P36-S38 VanDerWaalsContact O-N 3.07Å
39	L	89.2	Confident	80.6	Confident	74 Å²	74	91.3 Å²	91.3	39%	0.387	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-111.6	-5	-178.3	-64	177.6	0	0	0	113	V35 P36 E37 E41 Q42	V35-L39 HydrophobicContact CG1-CB 3.95Å; P36-L39 HydrophobicContact CG-CD1 4.48Å; P36-L39 PolarHBondContact O-N 3.32Å; E37-L39 PolarHBondContact O-N 3.43Å; L39-E41 PolarHBondContact O-N 3.2Å; L39-E41 VanDerWaalsContact O-N 3.17Å; L39-Q42 WeakPolarHBondContact O-CB 3.47Å; L39-Q42 PolarHBondContact O-N 2.95Å
40	Q	85.1	Confident	83.5	Confident	94 Å²	94	85.6 Å²	85.6	44%	0.439	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.6	-175.6	76.8	-167.8	-23.4	0	0	113.4	P36 E37 Q42 I43	P36-Q40 PolarHBondContact O-N 2.94Å; E37-Q40 WeakPolarHBondContact O-CG 3.38Å; E37-Q40 PolarHBondContact O-N 3.11Å; E37-Q40 PolarHBondContact O-NE2 2.88Å; Q40-Q42 VanDerWaalsContact C-N 3.3Å; Q40-I43 WeakPolarHBondContact O-CG1 3.43Å
41	E	89.5	Confident	86.1	Confident	139 Å²	139	78.2 Å²	78.2	65%	0.65	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.8	176.8	-64.9	-176.5	-176.7	0	0	113.1	L39 N46	L39-E41 PolarHBondContact O-N 3.2Å; L39-E41 VanDerWaalsContact O-N 3.17Å; E41-N46 WeakPolarHBondContact CA-ND2 3.38Å; E41-N46 PolarHBondContact O-ND2 3.3Å
42	Q	91.6	Very high	88.8	Confident	136 Å²	136	73.1 Å²	73.1	64%	0.636	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-12.1	-176.1	-59.8	174.5	21.7	0	0	112.7	L39 Q40	L39-Q42 WeakPolarHBondContact O-CB 3.47Å; L39-Q42 PolarHBondContact O-N 2.95Å; Q40-Q42 VanDerWaalsContact C-N 3.3Å
43	I	94.1	Very high	90.6	Very high	54 Å²	54	69.2 Å²	69.2	28%	0.277	37%	0.373	S	S	.	.	S	Bend	trans	-71.8	152.6	179.9	68	-172.9	0	0	0	111.6	V35 Q40 S45 N46 T64	V35-I43 HydrophobicContact CG1-CG2 3.9Å; V35-I43 HydrophobicContact CG2-CG2 4.25Å; Q40-I43 WeakPolarHBondContact O-CG1 3.43Å; I43-S45 VanDerWaalsContact C-N 3.27Å; I43-S45 WeakPolarHBondContact CD1-OG 3.42Å; I43-S45 WeakPolarHBondContact CG1-OG 3.46Å; I43-S45 PolarHBondContact O-N 2.87Å; I43-N46 HydrophobicContact CG1-CB 4.42Å; I43-N46 VanDerWaalsContact O-CB 3.32Å; I43-N46 WeakPolarHBondContact O-CB 3.4Å; I43-N46 PolarHBondContact O-N 2.9Å; I43-T64 HydrophobicContact CD1-CG2 3.66Å; I43-T64 HydrophobicContact CG1-CG2 3.94Å
44	Q	93.9	Very high	92.3	Very high	148 Å²	148	65.9 Å²	65.9	69%	0.692	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-56.9	-37.6	-173.3	-63.4	-172.2	24.9	0	0	113.7	N46 F47	Q44-N46 PolarHBondContact O-N 3.09Å; Q44-F47 PolarHBondContact O-N 3.46Å; Q44-F47 VanDerWaalsContact O-N 3.08Å
45	S	94.9	Very high	93.3	Very high	20 Å²	20	58.3 Å²	58.3	14%	0.14	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-66.1	-21.8	-179.7	45.9	0	0	0	0	113.3	I43 F47 I48 A63 T64	I43-S45 VanDerWaalsContact C-N 3.27Å; I43-S45 WeakPolarHBondContact CD1-OG 3.42Å; I43-S45 WeakPolarHBondContact CG1-OG 3.46Å; I43-S45 PolarHBondContact O-N 2.87Å; S45-F47 PolarHBondContact O-N 3.49Å; S45-I48 PolarHBondContact O-N 3.3Å; S45-A63 PolarHBondContact O-N 3.03Å; S45-T64 WeakPolarHBondContact OG-CG2 3.48Å
46	N	97.4	Very high	94	Very high	14 Å²	14	55.5 Å²	55.5	8%	0.075	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-67.8	-23.3	174	-170.7	45.5	0	0	0	112	E41 I43 Q44 R62 T64 Y230	E41-N46 WeakPolarHBondContact CA-ND2 3.38Å; E41-N46 PolarHBondContact O-ND2 3.3Å; I43-N46 HydrophobicContact CG1-CB 4.42Å; I43-N46 VanDerWaalsContact O-CB 3.32Å; I43-N46 WeakPolarHBondContact O-CB 3.4Å; I43-N46 PolarHBondContact O-N 2.9Å; Q44-N46 PolarHBondContact O-N 3.09Å; N46-R62 PolarHBondContact ND2-NH1 2.89Å; N46-R62 PolarHBondContact O-NH1 3.4Å; N46-R62 WeakPolarHBondContact OD1-CD 3.25Å; N46-R62 PolarHBondContact OD1-NH1 2.7Å; N46-T64 HydrophobicContact CB-CG2 4.15Å; N46-Y230 WeakPolarHBondContact O-CE1 3.37Å
47	F	98.4	Very high	94.8	Very high	72 Å²	72	54.2 Å²	54.2	32%	0.316	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-99.2	17.1	178.3	-61.1	-82.6	0	0	0	112.9	Q44 S45 Y230 R231	Q44-F47 PolarHBondContact O-N 3.46Å; Q44-F47 VanDerWaalsContact O-N 3.08Å; S45-F47 PolarHBondContact O-N 3.49Å; F47-Y230 HydrophobicContact CB-CD1 4.43Å; F47-Y230 HydrophobicContact CD1-CE1 4.3Å; F47-Y230 HydrophobicContact CD1-CE2 4.43Å; F47-Y230 WeakPolarHBondContact O-CA 3.48Å; F47-R231 PolarHBondContact O-N 2.97Å
48	I	98.8	Very high	95.5	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.015	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.8	176.5	-62.6	171.1	0	0	0	108.5	S45 R62 A63 R231 I233 A593 W602	S45-I48 PolarHBondContact O-N 3.3Å; I48-R62 CarbonylContact O-C 3.55Å; I48-R62 WeakPolarHBondContact O-CA 3.25Å; I48-A63 HydrophobicContact CB-CB 4.25Å; I48-A63 HydrophobicContact CG2-CB 4.34Å; I48-A63 PolarHBondContact O-N 3.05Å; I48-R231 WeakPolarHBondContact CA-O 3.48Å; I48-R231 HydrophobicContact CG1-CB 4.46Å; I48-I233 HydrophobicContact CG2-CD1 3.98Å; I48-I233 HydrophobicContact CG2-CG1 3.87Å; I48-A593 HydrophobicContact CD1-CB 3.9Å; I48-A593 HydrophobicContact CG2-CB 4.03Å; I48-W602 HydrophobicContact CD1-CH2 4.19Å; I48-W602 HydrophobicContact CD1-CZ2 3.87Å; I48-W602 HydrophobicContact CG1-CH2 4.23Å; I48-W602 HydrophobicContact CG1-CZ2 4.36Å; I48-W602 HydrophobicContact CG2-CH2 3.96Å
49	I	98.9	Very high	96.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.3	175.3	-54.6	-52.5	0	0	0	109.1	I51 I60 G61 R62 L220 I222 Y230 R231 C232 I233 F258	I49-I51 HydrophobicContact CG2-CG1 3.99Å; I49-I60 HydrophobicContact CG2-CD1 4.13Å; I49-I60 HydrophobicContact CG2-CG1 3.82Å; I49-G61 CarbonylContact C-O 3.5Å; I49-G61 WeakPolarHBondContact CA-O 3.33Å; I49-R62 HydrophobicContact CD1-CB 4.48Å; I49-R62 HydrophobicContact CD1-CG 3.79Å; I49-L220 HydrophobicContact CD1-CD1 4.03Å; I49-L220 HydrophobicContact CG2-CD1 4.24Å; I49-I222 HydrophobicContact CD1-CD1 3.68Å; I49-I222 HydrophobicContact CG1-CD1 4.49Å; I49-Y230 HydrophobicContact CD1-CD1 3.72Å; I49-Y230 HydrophobicContact CD1-CE1 3.93Å; I49-Y230 HydrophobicContact CG1-CD1 3.76Å; I49-Y230 HydrophobicContact CG1-CE1 4.45Å; I49-Y230 HydrophobicContact CG1-CG 4.38Å; I49-R231 PolarHBondContact N-O 2.95Å; I49-C232 CarbonylContact O-C 3.29Å; I49-C232 VanDerWaalsContact O-CA 3.29Å; I49-C232 WeakPolarHBondContact O-CA 3.25Å; I49-I233 PolarHBondContact O-N 3.41Å; I49-F258 HydrophobicContact CB-CE1 3.97Å; I49-F258 HydrophobicContact CB-CZ 4.27Å; I49-F258 HydrophobicContact CG1-CE1 3.82Å; I49-F258 HydrophobicContact CG1-CZ 4.22Å
50	V	98.9	Very high	96.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121	175.3	-175.5	0	0	0	0	108.4	I60 G61 A63 I233 L235 W586 A590	V50-I60 WeakPolarHBondContact O-CA 3.45Å; V50-G61 PolarHBondContact N-O 3.26Å; V50-G61 PolarHBondContact O-N 3.26Å; V50-A63 HydrophobicContact CG2-CB 3.97Å; V50-I233 WeakPolarHBondContact CA-O 3.41Å; V50-I233 HydrophobicContact CG1-CG2 4.48Å; V50-I233 HydrophobicContact CG2-CB 4.33Å; V50-L235 HydrophobicContact CG1-CD1 4.14Å; V50-W586 HydrophobicContact CB-CZ2 4.21Å; V50-W586 HydrophobicContact CG1-CG 4.28Å; V50-W586 PolarHBondContact O-NE1 2.89Å; V50-A590 HydrophobicContact CG2-CB 4.21Å
51	I	98.9	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.4	-178.5	-50.3	-174.5	0	0	0	108.6	I49 P53 L58 I60 W212 C232 I233 L234 L235	I49-I51 HydrophobicContact CG2-CG1 3.99Å; I51-P53 HydrophobicContact CG2-CG 4.21Å; I51-L58 HydrophobicContact CG2-CD1 3.88Å; I51-I60 HydrophobicContact CD1-CD1 4.18Å; I51-I60 HydrophobicContact CG1-CD1 3.97Å; I51-I60 HydrophobicContact CG1-CG1 4.11Å; I51-W212 HydrophobicContact CD1-CE3 3.98Å; I51-W212 HydrophobicContact CD1-CZ3 4.29Å; I51-W212 HydrophobicContact CG2-CD2 4.16Å; I51-W212 HydrophobicContact CG2-CE3 4.18Å; I51-W212 HydrophobicContact CG2-CH2 4.15Å; I51-W212 HydrophobicContact CG2-CZ2 4.13Å; I51-W212 HydrophobicContact CG2-CZ3 4.18Å; I51-C232 VanDerWaalsContact CD1-SG 3.52Å; I51-I233 PolarHBondContact N-O 3.45Å; I51-L234 HydrophobicContact CB-CD1 4.25Å; I51-L234 HydrophobicContact CG2-CD1 4.28Å; I51-L235 PolarHBondContact O-N 2.85Å
52	H	98.9	Very high	97.7	Very high	14 Å²	14	30.9 Å²	30.9	7%	0.065	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	94.2	174	-179.5	-161.1	0	0	0	109.8	R59 L235 W586	H52-R59 HydrophobicContact CB-CB 4.23Å; H52-R59 PolarHBondContact N-O 3.15Å; H52-R59 PolarHBondContact O-N 3.08Å; H52-L235 HydrophobicContact CB-CB 4.17Å; H52-L235 HydrophobicContact CB-CD2 3.97Å; H52-W586 HydrophobicContact CB-CB 4.15Å; H52-W586 HydrophobicContact CB-CG 4.45Å
53	P	98.8	Very high	98	Very high	22 Å²	22	25 Å²	25	14%	0.143	13%	0.133	C	C	.	.			trans	-72.9	141.6	178.8	-14.2	30.5	0	0	0	111.5	I51 I186 W212 L234 L235	I51-P53 HydrophobicContact CG2-CG 4.21Å; P53-I186 HydrophobicContact CB-CD1 3.61Å; P53-W212 HydrophobicContact CB-CZ2 4.01Å; P53-W212 HydrophobicContact CG-CH2 3.9Å; P53-W212 HydrophobicContact CG-CZ2 3.47Å; P53-W212 VanDerWaalsContact CG-CZ2 3.47Å; P53-L234 HydrophobicContact CG-CD1 4Å; P53-L235 WeakPolarHBondContact CD-O 3.3Å
54	G	98.3	Very high	98.2	Very high	23 Å²	23	24.8 Å²	24.8	24%	0.237	13%	0.133	C	C	.	.			trans	-130.2	169.4	170.6	0	0	0	0	0	111.5	T56 T57 H73	G54-T56 PolarHBondContact O-N 3.24Å; G54-T57 VanDerWaalsContact CA-O 3.23Å; G54-T57 WeakPolarHBondContact CA-O 3.15Å; G54-T57 PolarHBondContact N-O 3.33Å; G54-H73 PolarHBondContact O-ND1 3.45Å
55	S	98.5	Very high	98.3	Very high	10 Å²	10	20 Å²	20	7%	0.07	11%	0.113	C	C	.	.	S	Bend	trans	-65.5	-27.9	178.2	-53.3	0	0	0	0	113.5	I186 R187 R188 G189	S55-I186 WeakPolarHBondContact CA-O 3.39Å; S55-I186 VanDerWaalsContact O-O 3.04Å; S55-R187 PolarHBondContact O-NH2 2.86Å; S55-R188 PolarHBondContact OG-N 3.27Å; S55-G189 PolarHBondContact OG-N 3Å
56	T	98.5	Very high	98.4	Very high	14 Å²	14	24.3 Å²	24.3	9%	0.086	14%	0.138	C	C	.	.	S	Bend	trans	-126.9	-23.9	-174.7	-55.3	0	0	0	0	112	G54 P72 H73 W91 W184 R187 D286	G54-T56 PolarHBondContact O-N 3.24Å; T56-P72 CarbonylContact O-C 3.41Å; T56-P72 WeakPolarHBondContact O-CA 3.29Å; T56-H73 PolarHBondContact O-N 3.23Å; T56-W91 HydrophobicContact CG2-CZ2 3.59Å; T56-W184 HydrophobicContact CG2-CH2 4.08Å; T56-W184 HydrophobicContact CG2-CZ3 3.86Å; T56-R187 PolarHBondContact OG1-NH2 3.12Å; T56-D286 PolarHBondContact OG1-OD2 3.44Å
57	T	98.9	Very high	98.4	Very high	46 Å²	46	29 Å²	29	28%	0.282	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	127.3	-178.5	-49.1	0	0	0	0	109.9	G54 I71	G54-T57 VanDerWaalsContact CA-O 3.23Å; G54-T57 WeakPolarHBondContact CA-O 3.15Å; G54-T57 PolarHBondContact N-O 3.33Å; T57-I71 CarbonylContact C-O 3.31Å; T57-I71 WeakPolarHBondContact CA-O 3.28Å
58	L	98.9	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.9	164.6	171.2	65.5	0	0	0	108.4	I51 I60 S70 I71 H73 I211 W212 A215	I51-L58 HydrophobicContact CG2-CD1 3.88Å; L58-I60 HydrophobicContact CD2-CG2 4.36Å; L58-I60 HydrophobicContact CG-CB 4.36Å; L58-I60 HydrophobicContact CG-CG2 4.39Å; L58-S70 WeakPolarHBondContact O-CA 3.42Å; L58-I71 PolarHBondContact N-O 3.38Å; L58-I71 PolarHBondContact O-N 3.49Å; L58-H73 HydrophobicContact CB-CB 4.31Å; L58-I211 HydrophobicContact CD2-CG2 4.19Å; L58-W212 HydrophobicContact CD2-CG 4.22Å; L58-A215 HydrophobicContact CD2-CB 4.22Å
59	R	98.9	Very high	98.4	Very high	33 Å²	33	27 Å²	27	13%	0.125	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.9	169.3	-60	159.3	-150	-80.7	1.9	108.5	H52 P68 A69 R582 W586	H52-R59 HydrophobicContact CB-CB 4.23Å; H52-R59 PolarHBondContact N-O 3.15Å; H52-R59 PolarHBondContact O-N 3.08Å; R59-P68 HydrophobicContact CB-CB 4.19Å; R59-P68 HydrophobicContact CB-CG 4.13Å; R59-A69 WeakPolarHBondContact CA-O 3.42Å; R59-R582 WeakPolarHBondContact CD-O 3.45Å; R59-R582 PolarHBondContact NE-O 3.25Å; R59-R582 VanDerWaalsContact NE-O 3.07Å; R59-R582 VanDerWaalsContact NH1-CB 3.29Å; R59-R582 PolarHBondContact NH1-O 2.78Å; R59-R582 PolarHBondContact NH2-O 2.82Å; R59-W586 HydrophobicContact CB-CB 4.44Å; R59-W586 HydrophobicContact CB-CG 4.29Å
60	I	98.9	Very high	98.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	142.3	-175.2	-168.9	168.2	0	0	0	110.2	I49 V50 I51 L58 A69 I71 A215 I216 L220	I49-I60 HydrophobicContact CG2-CD1 4.13Å; I49-I60 HydrophobicContact CG2-CG1 3.82Å; V50-I60 WeakPolarHBondContact O-CA 3.45Å; I51-I60 HydrophobicContact CD1-CD1 4.18Å; I51-I60 HydrophobicContact CG1-CD1 3.97Å; I51-I60 HydrophobicContact CG1-CG1 4.11Å; L58-I60 HydrophobicContact CD2-CG2 4.36Å; L58-I60 HydrophobicContact CG-CB 4.36Å; L58-I60 HydrophobicContact CG-CG2 4.39Å; I60-A69 HydrophobicContact CG2-CB 4.3Å; I60-A69 PolarHBondContact N-O 3.08Å; I60-A69 PolarHBondContact O-N 2.74Å; I60-I71 HydrophobicContact CG2-CD1 3.56Å; I60-A215 HydrophobicContact CG2-CB 3.93Å; I60-I216 HydrophobicContact CD1-CD1 4.23Å; I60-I216 HydrophobicContact CD1-CG1 3.71Å; I60-L220 HydrophobicContact CG1-CD1 4.24Å
61	G	98.8	Very high	98.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	170.8	-179.7	0	0	0	0	0	111.5	I49 V50 D65	I49-G61 CarbonylContact C-O 3.5Å; I49-G61 WeakPolarHBondContact CA-O 3.33Å; V50-G61 PolarHBondContact N-O 3.26Å; V50-G61 PolarHBondContact O-N 3.26Å; G61-D65 WeakPolarHBondContact CA-OD2 3.37Å
62	R	98.8	Very high	98.3	Very high	39 Å²	39	31.2 Å²	31.2	15%	0.147	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	152.1	168.6	-57.7	158	-179.8	-100	4.8	108.7	N46 I48 I49 T64 D65 L220 I222 Y230 W586	N46-R62 PolarHBondContact ND2-NH1 2.89Å; N46-R62 PolarHBondContact O-NH1 3.4Å; N46-R62 WeakPolarHBondContact OD1-CD 3.25Å; N46-R62 PolarHBondContact OD1-NH1 2.7Å; I48-R62 CarbonylContact O-C 3.55Å; I48-R62 WeakPolarHBondContact O-CA 3.25Å; I49-R62 HydrophobicContact CD1-CB 4.48Å; I49-R62 HydrophobicContact CD1-CG 3.79Å; R62-T64 WeakPolarHBondContact CB-OG1 3.23Å; R62-T64 PolarHBondContact O-N 3.26Å; R62-T64 VanDerWaalsContact O-N 3.14Å; R62-D65 PolarHBondContact N-OD2 2.91Å; R62-D65 WeakPolarHBondContact O-CB 3.37Å; R62-D65 PolarHBondContact O-N 3.46Å; R62-L220 PolarHBondContact NH2-O 2.81Å; R62-I222 VanDerWaalsContact NH2-CG1 3.26Å; R62-Y230 PolarHBondContact NH1-OH 3.06Å; R62-Y230 VanDerWaalsContact NH1-OH 3.07Å; R62-W586 WeakPolarHBondContact O-CH2 3.38Å
63	A	98.3	Very high	98.3	Very high	14 Å²	14	30.6 Å²	30.6	12%	0.116	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.3	176.8	0	0	0	0	0	112.9	S45 I48 V50 A590 A593	S45-A63 PolarHBondContact O-N 3.03Å; I48-A63 HydrophobicContact CB-CB 4.25Å; I48-A63 HydrophobicContact CG2-CB 4.34Å; I48-A63 PolarHBondContact O-N 3.05Å; V50-A63 HydrophobicContact CG2-CB 3.97Å; A63-A590 HydrophobicContact CB-CB 4.1Å; A63-A593 HydrophobicContact CB-CB 3.84Å
64	T	97.4	Very high	98.3	Very high	48 Å²	48	29.5 Å²	29.5	29%	0.294	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-20.1	171.3	45.5	0	0	0	0	114.1	I43 S45 N46 R62 T66	I43-T64 HydrophobicContact CD1-CG2 3.66Å; I43-T64 HydrophobicContact CG1-CG2 3.94Å; S45-T64 WeakPolarHBondContact OG-CG2 3.48Å; N46-T64 HydrophobicContact CB-CG2 4.15Å; R62-T64 WeakPolarHBondContact CB-OG1 3.23Å; R62-T64 PolarHBondContact O-N 3.26Å; R62-T64 VanDerWaalsContact O-N 3.14Å; T64-T66 PolarHBondContact O-N 3Å
65	D	97.3	Very high	98.4	Very high	49 Å²	49	28.4 Å²	28.4	26%	0.262	17%	0.167	S	C	.	.			trans	-69.9	131.4	-172.7	-61.6	-18.4	0	0	0	110.5	G61 R62 L67 W586	G61-D65 WeakPolarHBondContact CA-OD2 3.37Å; R62-D65 PolarHBondContact N-OD2 2.91Å; R62-D65 WeakPolarHBondContact O-CB 3.37Å; R62-D65 PolarHBondContact O-N 3.46Å; D65-L67 VanDerWaalsContact C-N 3.25Å; D65-L67 PolarHBondContact O-N 3.38Å; D65-W586 HydrophobicContact CB-CH2 4.1Å; D65-W586 WeakPolarHBondContact O-CH2 3.28Å
66	T	95.3	Very high	98.4	Very high	110 Å²	110	28 Å²	28	68%	0.675	16%	0.164	S	C	*	.	S	Bend	trans	-64.7	-34	177.6	-54.3	0	0	0	0	112	T64 K587	T64-T66 PolarHBondContact O-N 3Å; T66-K587 WeakPolarHBondContact O-CE 3.27Å; T66-K587 PolarHBondContact O-NZ 3.3Å; T66-K587 VanDerWaalsContact O-NZ 3.11Å
67	L	97.4	Very high	98.4	Very high	112 Å²	112	30.3 Å²	30.3	59%	0.586	17%	0.171	S	C	*	.	S	Bend	trans	-135.7	135.6	178.3	-62.3	176.1	0	0	0	109.2	D65 L583	D65-L67 VanDerWaalsContact C-N 3.25Å; D65-L67 PolarHBondContact O-N 3.38Å; L67-L583 HydrophobicContact CD2-CD1 3.62Å
68	P	98.4	Very high	98.4	Very high	13 Å²	13	32.2 Å²	32.2	8%	0.084	17%	0.173	C	C	.	.			trans	-74.6	153.6	173	29.3	-30.2	0	0	0	111.4	R59 S70 L583 W586	R59-P68 HydrophobicContact CB-CB 4.19Å; R59-P68 HydrophobicContact CB-CG 4.13Å; P68-S70 PolarHBondContact O-N 2.85Å; P68-L583 HydrophobicContact CG-CD2 3.74Å; P68-W586 HydrophobicContact CB-CD2 3.6Å; P68-W586 HydrophobicContact CB-CE3 3.95Å; P68-W586 HydrophobicContact CB-CG 4.09Å; P68-W586 HydrophobicContact CB-CH2 4.15Å; P68-W586 HydrophobicContact CB-CZ2 3.82Å; P68-W586 HydrophobicContact CB-CZ3 4.21Å; P68-W586 HydrophobicContact CG-CD2 3.62Å; P68-W586 HydrophobicContact CG-CE3 3.66Å; P68-W586 HydrophobicContact CG-CG 3.99Å; P68-W586 HydrophobicContact CG-CZ3 4.17Å
69	A	98.6	Very high	98.3	Very high	21 Å²	21	32.9 Å²	32.9	17%	0.174	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	132.4	158.8	0	0	0	0	0	109.1	R59 I60 I71 Y219	R59-A69 WeakPolarHBondContact CA-O 3.42Å; I60-A69 HydrophobicContact CG2-CB 4.3Å; I60-A69 PolarHBondContact N-O 3.08Å; I60-A69 PolarHBondContact O-N 2.74Å; A69-I71 HydrophobicContact CB-CD1 3.72Å; A69-Y219 HydrophobicContact CB-CD1 4.5Å; A69-Y219 HydrophobicContact CB-CG 4.19Å
70	S	98.6	Very high	98.1	Very high	65 Å²	65	40.8 Å²	40.8	46%	0.455	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	108.7	177.2	-68	0	0	0	0	109.2	L58 P68	L58-S70 WeakPolarHBondContact O-CA 3.42Å; P68-S70 PolarHBondContact O-N 2.85Å
71	I	98.7	Very high	97.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.1	-173	-55.2	91.4	0	0	0	108.7	T57 L58 I60 A69 H73 A215 Y219	T57-I71 CarbonylContact C-O 3.31Å; T57-I71 WeakPolarHBondContact CA-O 3.28Å; L58-I71 PolarHBondContact N-O 3.38Å; L58-I71 PolarHBondContact O-N 3.49Å; I60-I71 HydrophobicContact CG2-CD1 3.56Å; A69-I71 HydrophobicContact CB-CD1 3.72Å; I71-H73 PolarHBondContact O-N 3.37Å; I71-A215 HydrophobicContact CD1-CB 3.93Å; I71-A215 HydrophobicContact CG1-CB 4.31Å; I71-Y219 HydrophobicContact CD1-CD2 4.38Å; I71-Y219 HydrophobicContact CG1-CD2 4.03Å; I71-Y219 HydrophobicContact CG1-CE2 3.74Å
72	P	98.8	Very high	97.5	Very high	22 Å²	22	57.1 Å²	57.1	14%	0.143	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	125.5	167.2	-24.1	33.2	0	0	0	110.5	T56 V74 G168 E169 L172	T56-P72 CarbonylContact O-C 3.41Å; T56-P72 WeakPolarHBondContact O-CA 3.29Å; P72-V74 HydrophobicContact CB-CG1 3.82Å; P72-V74 PolarHBondContact O-N 3.34Å; P72-G168 WeakPolarHBondContact O-CA 3.44Å; P72-E169 WeakPolarHBondContact CG-OE2 3.38Å; P72-L172 HydrophobicContact CB-CD1 3.77Å; P72-L172 HydrophobicContact CB-CG 4.28Å; P72-L172 HydrophobicContact CG-CD1 3.73Å
73	H	98.8	Very high	97.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-84.7	62.6	-173.1	-161	-167.6	0	0	0	111.2	G54 T56 L58 I71 W184 P185 I186 W212	G54-H73 PolarHBondContact O-ND1 3.45Å; T56-H73 PolarHBondContact O-N 3.23Å; L58-H73 HydrophobicContact CB-CB 4.31Å; I71-H73 PolarHBondContact O-N 3.37Å; H73-W184 VanDerWaalsContact O-CE3 3.28Å; H73-P185 WeakPolarHBondContact O-CD 3.07Å; H73-I186 VanDerWaalsContact CE1-CD1 3.41Å; H73-I186 WeakPolarHBondContact CE1-CD1 3.38Å; H73-W212 AromaticContact CE1-NE1 3.9Å; H73-W212 AromaticContact NE2-NE1 3.27Å; H73-W212 PolarHBondContact NE2-NE1 3.07Å
74	V	98.9	Very high	96.9	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.332	C	S	.	.			trans	-142.8	148.2	-171.1	61.1	0	0	0	0	110.5	P72 G168 A171 L172 I182 H183 W184	P72-V74 HydrophobicContact CB-CG1 3.82Å; P72-V74 PolarHBondContact O-N 3.34Å; V74-G168 PolarHBondContact O-N 3.24Å; V74-A171 HydrophobicContact CG1-CB 4.18Å; V74-L172 HydrophobicContact CG1-CD2 3.89Å; V74-L172 HydrophobicContact CG1-CG 4.01Å; V74-I182 HydrophobicContact CG2-CG2 3.61Å; V74-H183 WeakPolarHBondContact CA-O 3.43Å; V74-H183 WeakPolarHBondContact CG2-O 3.47Å; V74-W184 HydrophobicContact CB-CD2 3.84Å; V74-W184 HydrophobicContact CB-CE3 3.75Å; V74-W184 HydrophobicContact CB-CH2 3.88Å; V74-W184 HydrophobicContact CB-CZ2 3.98Å; V74-W184 HydrophobicContact CB-CZ3 3.74Å; V74-W184 HydrophobicContact CG1-CH2 4.02Å; V74-W184 HydrophobicContact CG1-CZ2 4.32Å; V74-W184 HydrophobicContact CG1-CZ3 4.18Å; V74-W184 HydrophobicContact CG2-CD2 3.9Å; V74-W184 HydrophobicContact CG2-CE3 4.34Å; V74-W184 HydrophobicContact CG2-CG 4.29Å; V74-W184 HydrophobicContact CG2-CH2 4.38Å; V74-W184 HydrophobicContact CG2-CZ2 3.96Å
75	I	98.9	Very high	96.9	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.2	175.1	-172.8	174.3	0	0	0	109.6	R77 Y165 L166 V167 H183 D207 V210 I211	I75-R77 HydrophobicContact CD1-CG 4.17Å; I75-R77 HydrophobicContact CG1-CG 4.28Å; I75-Y165 HydrophobicContact CD1-CD2 4.45Å; I75-Y165 HydrophobicContact CD1-CG 4.35Å; I75-L166 CarbonylContact C-O 3.54Å; I75-L166 WeakPolarHBondContact CA-O 3.42Å; I75-L166 WeakPolarHBondContact CG1-O 3.47Å; I75-V167 HydrophobicContact CG1-CG2 4.34Å; I75-H183 HydrophobicContact CG2-CB 4.04Å; I75-H183 PolarHBondContact N-O 3.27Å; I75-H183 PolarHBondContact O-N 2.9Å; I75-D207 HydrophobicContact CG2-CB 3.89Å; I75-D207 WeakPolarHBondContact CG2-OD2 3.34Å; I75-V210 HydrophobicContact CD1-CB 4.07Å; I75-V210 HydrophobicContact CD1-CG1 3.64Å; I75-I211 HydrophobicContact CB-CD1 3.95Å; I75-I211 HydrophobicContact CB-CG1 3.96Å; I75-I211 HydrophobicContact CG2-CD1 4.19Å
76	A	98.9	Very high	96.9	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126	166.2	0	0	0	0	0	108.1	Y165 L166 A171 V174 Y180 N181 I182	A76-Y165 CarbonylContact O-C 3.57Å; A76-Y165 WeakPolarHBondContact O-CA 3.44Å; A76-Y165 WeakPolarHBondContact O-CB 3.42Å; A76-L166 HydrophobicContact CB-CB 4.24Å; A76-L166 PolarHBondContact N-O 3Å; A76-L166 PolarHBondContact O-N 3.26Å; A76-A171 HydrophobicContact CB-CB 3.87Å; A76-V174 HydrophobicContact CB-CG2 3.84Å; A76-Y180 HydrophobicContact CB-CD1 3.99Å; A76-Y180 HydrophobicContact CB-CG 4.39Å; A76-N181 CarbonylContact C-O 3.59Å; A76-N181 VanDerWaalsContact CA-O 3.25Å; A76-N181 WeakPolarHBondContact CA-O 3.22Å; A76-I182 HydrophobicContact CB-CD1 3.5Å; A76-I182 VanDerWaalsContact CB-CD1 3.5Å
77	R	98.7	Very high	97	Very high	64 Å²	64	63.8 Å²	63.8	24%	0.242	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.3	175.7	-74.3	-160.8	176.4	-79	-0.6	111.5	I75 Y180 N181 D207	I75-R77 HydrophobicContact CD1-CG 4.17Å; I75-R77 HydrophobicContact CG1-CG 4.28Å; R77-Y180 VanDerWaalsContact C-CD1 3.48Å; R77-Y180 CarbonylContact O-C 3.58Å; R77-Y180 VanDerWaalsContact O-CA 3.29Å; R77-Y180 WeakPolarHBondContact O-CA 3.32Å; R77-N181 PolarHBondContact N-O 2.86Å; R77-N181 PolarHBondContact O-N 3.13Å; R77-D207 IonicContact CZ-OD1 2.62Å; R77-D207 IonicContact NE-OD1 3.09Å; R77-D207 PolarHBondContact NE-OD1 2.9Å; R77-D207 IonicContact NH2-OD1 2.59Å; R77-D207 PolarHBondContact NH2-OD1 3.12Å
78	R	98.4	Very high	97	Very high	86 Å²	86	62.6 Å²	62.6	33%	0.325	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	147.1	-179.6	-158.2	176.5	-176.3	-81	-4.6	111.3	H162 E164 C179 Y180	R78-H162 PolarHBondContact NH2-CD2 3.16Å; R78-E164 WeakPolarHBondContact CB-O 3.45Å; R78-E164 PolarHBondContact N-O 3.16Å; R78-C179 CarbonylContact C-O 3.5Å; R78-C179 WeakPolarHBondContact CA-O 3.17Å; R78-C179 PolarHBondContact NH2-SG 2.9Å; R78-C179 VanDerWaalsContact NH2-SG 3.45Å; R78-Y180 HydrophobicContact CB-CD1 3.98Å; R78-Y180 HydrophobicContact CB-CE1 3.53Å; R78-Y180 WeakPolarHBondContact CD-OH 3.44Å; R78-Y180 HydrophobicContact CG-CD1 4.48Å; R78-Y180 HydrophobicContact CG-CE1 3.95Å; R78-Y180 HydrophobicContact CG-CE2 4.04Å
79	H	97.6	Very high	97	Very high	13 Å²	13	62.9 Å²	62.9	6%	0.06	33%	0.329	C	S	.	.			trans	-63.6	145.9	167.2	-67.2	174.6	0	0	0	111.3	Q84 C179 N181	H79-Q84 HydrophobicContact CB-CB 4.42Å; H79-Q84 PolarHBondContact CE1-O 2.92Å; H79-C179 HydrophobicContact CB-CB 4.17Å; H79-C179 PolarHBondContact N-O 3.26Å; H79-N181 PolarHBondContact NE2-OD1 3.22Å
80	K	94.1	Very high	96.9	Very high	199 Å²	199	65 Å²	65	87%	0.865	34%	0.343	S	S	*	.	S	Bend	trans	-89.5	-26	175.7	-62.1	-177.6	-178.8	179.9	0	111.6
81	Q	93.8	Very high	96.8	Very high	142 Å²	142	62.8 Å²	62.8	66%	0.664	32%	0.324	S	S	*	.	S	Bend	trans	-131.5	151.8	-178.6	-68.1	178.1	-36.1	0	0	110.3	Q84	Q81-Q84 HydrophobicContact CB-CG 4.13Å; Q81-Q84 WeakPolarHBondContact O-CG 3.28Å; Q81-Q84 PolarHBondContact O-OE1 3.02Å
82	Q	91.3	Very high	96.8	Very high	201 Å²	201	62.9 Å²	62.9	94%	0.939	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	146.4	174.2	-70.1	160	-17	0	0	110.3	Q84	Q82-Q84 VanDerWaalsContact C-N 3.32Å; Q82-Q84 PolarHBondContact O-N 3.11Å
83	G	90.9	Very high	96.7	Very high	83 Å²	83	64.3 Å²	64.3	86%	0.856	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	8.3	177.4	0	0	0	0	0	115.5
84	Q	95.1	Very high	96.7	Very high	72 Å²	72	65.7 Å²	65.7	34%	0.336	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-65.4	139.1	171.6	-66.8	-173.2	-78.8	0	0	110.4	H79 Q81 Q82	H79-Q84 HydrophobicContact CB-CB 4.42Å; H79-Q84 PolarHBondContact CE1-O 2.92Å; Q81-Q84 HydrophobicContact CB-CG 4.13Å; Q81-Q84 WeakPolarHBondContact O-CG 3.28Å; Q81-Q84 PolarHBondContact O-OE1 3.02Å; Q82-Q84 VanDerWaalsContact C-N 3.32Å; Q82-Q84 PolarHBondContact O-N 3.11Å
85	P	96.4	Very high	96.6	Very high	116 Å²	116	72.3 Å²	72.3	75%	0.753	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-66	137.6	176.9	26.9	-33.4	0	0	0	110.4	Y87	P85-Y87 PolarHBondContact O-N 3.16Å
86	L	97.2	Very high	96.5	Very high	75 Å²	75	72.7 Å²	72.7	39%	0.393	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-69.4	121.7	177	-69.9	170.1	0	0	0	110.3	D178	L86-D178 VanDerWaalsContact CD2-O 3.25Å; L86-D178 WeakPolarHBondContact CD2-O 3.47Å
87	Y	97.8	Very high	96.5	Very high	55 Å²	55	73 Å²	73	22%	0.216	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-96.1	131.4	170.7	-175.3	-89.7	0	0	0	110.3	P85 D89 N181 I182 H183 H194 P197	P85-Y87 PolarHBondContact O-N 3.16Å; Y87-D89 HydrophobicContact CE1-CB 4.3Å; Y87-D89 PolarHBondContact OH-OD1 3.22Å; Y87-N181 PolarHBondContact N-OD1 2.88Å; Y87-N181 CarbonylContact O-C 3.6Å; Y87-N181 WeakPolarHBondContact O-CA 3.26Å; Y87-I182 PolarHBondContact O-N 2.81Å; Y87-H183 AromaticContact CD1-CD2 3.61Å; Y87-H183 AromaticContact CD1-NE2 3.75Å; Y87-H183 AromaticContact CE1-CD2 3.83Å; Y87-H194 AromaticContact CE1-CE1 3.77Å; Y87-H194 AromaticContact CE2-CE1 3.99Å; Y87-H194 AromaticContact CZ-CE1 3.28Å; Y87-H194 AromaticContact CZ-ND1 3.84Å; Y87-H194 AromaticContact CZ-NE2 3.9Å; Y87-H194 PolarHBondContact OH-CE1 3.35Å; Y87-H194 PolarHBondContact OH-ND1 3.22Å; Y87-H194 PolarHBondContact OH-NE2 3.4Å; Y87-P197 HydrophobicContact CD1-CG 4.44Å; Y87-P197 HydrophobicContact CD2-CG 3.82Å; Y87-P197 HydrophobicContact CG-CG 3.71Å
88	K	97.2	Very high	96.4	Very high	86 Å²	86	77.2 Å²	77.2	37%	0.374	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-134.6	113.6	175.9	-65	175	-176.6	166.7	0	107.8	P176	K88-P176 PolarHBondContact NZ-O 3.2Å; K88-P176 VanDerWaalsContact NZ-O 3.14Å
89	D	98.1	Very high	96.4	Very high	19 Å²	19	78.1 Å²	78.1	10%	0.102	41%	0.406	C	S	.	.			trans	-57.1	145.9	171.7	-105.2	-42.8	0	0	0	111.2	Y87 I182 H183 W184 N192 H194	Y87-D89 HydrophobicContact CE1-CB 4.3Å; Y87-D89 PolarHBondContact OH-OD1 3.22Å; D89-I182 PolarHBondContact N-O 3.48Å; D89-H183 VanDerWaalsContact OD2-CA 3.24Å; D89-H183 WeakPolarHBondContact OD2-CA 3.43Å; D89-W184 HydrophobicContact CB-CB 4.35Å; D89-W184 HydrophobicContact CB-CG 4.34Å; D89-W184 PolarHBondContact OD2-N 2.77Å; D89-N192 PolarHBondContact OD1-ND2 3.13Å; D89-N192 PolarHBondContact OD2-ND2 3.06Å; D89-H194 IonicContact OD1-CD2 3.8Å; D89-H194 IonicContact OD1-NE2 3.25Å
90	S	95.8	Very high	96.4	Very high	67 Å²	67	83.2 Å²	83.2	47%	0.469	44%	0.44	S	S	.	.			trans	-73.9	135.9	178.1	-64.9	0	0	0	0	111.5	L93 R187	S90-L93 WeakPolarHBondContact CB-O 3.35Å; S90-R187 PolarHBondContact O-NH1 3.29Å
91	W	97.5	Very high	96.5	Very high	18 Å²	18	78.7 Å²	78.7	7%	0.068	42%	0.422	C	S	.	.	S	Bend	trans	-109.4	-80.4	174.1	-170.5	4.8	0	0	0	114.2	T56 L172 W184 D286 Q287 C340 L341 Q344	T56-W91 HydrophobicContact CG2-CZ2 3.59Å; W91-L172 HydrophobicContact CZ3-CD2 4.47Å; W91-W184 HydrophobicContact CD2-CH2 4.48Å; W91-W184 HydrophobicContact CD2-CZ2 4.05Å; W91-W184 HydrophobicContact CE3-CH2 4.47Å; W91-W184 AromaticContact CE3-CZ2 3.89Å; W91-W184 HydrophobicContact CE3-CZ2 3.89Å; W91-W184 HydrophobicContact CH2-CH2 4.37Å; W91-W184 HydrophobicContact CZ2-CH2 4.39Å; W91-W184 HydrophobicContact CZ3-CH2 4.42Å; W91-W184 HydrophobicContact CZ3-CZ2 4.15Å; W91-D286 PolarHBondContact NE1-OD2 3.49Å; W91-D286 VanDerWaalsContact NE1-OD2 3.1Å; W91-Q287 PolarHBondContact O-NE2 3.02Å; W91-C340 HydrophobicContact CD2-CB 4.31Å; W91-C340 HydrophobicContact CE3-CB 3.65Å; W91-C340 HydrophobicContact CZ3-CB 3.89Å; W91-L341 HydrophobicContact CH2-CD2 3.72Å; W91-L341 HydrophobicContact CH2-CG 4.29Å; W91-L341 HydrophobicContact CZ3-CD2 4.15Å; W91-L341 HydrophobicContact CZ3-CG 4.25Å; W91-Q344 HydrophobicContact CZ2-CG 4.47Å
92	L	98.1	Very high	96.7	Very high	2 Å²	2	72 Å²	72	1%	0.01	39%	0.391	C	S	.	.	S	Bend	trans	-80.2	-24.8	178.7	-60.5	-172.4	0	0	0	112.1	R316 L334 C340 L343	L92-R316 WeakPolarHBondContact O-CD 3.27Å; L92-R316 PolarHBondContact O-NE 3.48Å; L92-L334 HydrophobicContact CB-CD2 4.05Å; L92-L334 HydrophobicContact CD1-CD2 3.94Å; L92-C340 HydrophobicContact CD1-CB 3.84Å; L92-C340 HydrophobicContact CG-CB 4.03Å; L92-L343 HydrophobicContact CD1-CB 4.07Å; L92-L343 HydrophobicContact CD1-CD1 3.95Å
93	L	98.1	Very high	97	Very high	52 Å²	52	66.7 Å²	66.7	27%	0.272	37%	0.369	S	S	.	.			trans	-80.2	155.6	169.2	-67.8	-179.7	0	0	0	111.5	S90 L97 L334 T335	S90-L93 WeakPolarHBondContact CB-O 3.35Å; L93-L97 HydrophobicContact CD2-CD1 4Å; L93-L334 HydrophobicContact CD1-CB 4.18Å; L93-L334 HydrophobicContact CD2-CB 3.86Å; L93-L334 HydrophobicContact CD2-CD1 3.66Å; L93-L334 HydrophobicContact CD2-CG 4.42Å; L93-L334 HydrophobicContact CG-CB 3.73Å; L93-L334 HydrophobicContact CG-CD1 4.45Å; L93-T335 HydrophobicContact CD1-CG2 3.64Å
94	R	97.8	Very high	97.4	Very high	30 Å²	30	68.9 Å²	68.9	11%	0.113	36%	0.357	C	S	.	.			trans	-160.2	164.1	177	60.3	-170.4	-63.7	170.2	-2.7	110.5	L97 A308 D313	R94-L97 HydrophobicContact CG-CD1 3.87Å; R94-L97 HydrophobicContact CG-CD2 4.23Å; R94-L97 HydrophobicContact CG-CG 3.84Å; R94-L97 WeakPolarHBondContact O-CD1 3.33Å; R94-L97 WeakPolarHBondContact O-CG 3.33Å; R94-A308 PolarHBondContact NH1-O 2.89Å; R94-A308 PolarHBondContact NH2-O 2.76Å; R94-D313 VanDerWaalsContact CD-OD1 3.31Å; R94-D313 WeakPolarHBondContact CD-OD1 3.36Å; R94-D313 IonicContact CZ-OD1 2.73Å; R94-D313 IonicContact NH1-OD1 3.73Å; R94-D313 PolarHBondContact NH1-OD1 2.84Å; R94-D313 VanDerWaalsContact NH1-OD1 3.11Å; R94-D313 IonicContact NH1-OD2 2.84Å; R94-D313 PolarHBondContact NH1-OD2 3.34Å
95	E	97.6	Very high	97.5	Very high	138 Å²	138	68.5 Å²	68.5	65%	0.645	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	151.4	173.3	-65.2	-177.7	-167.7	0	0	112.1	I400 Q403	E95-I400 WeakPolarHBondContact O-CG2 3.39Å; E95-Q403 PolarHBondContact OE2-NE2 3.48Å
96	G	97.1	Very high	97.6	Very high	8 Å²	8	64.3 Å²	64.3	8%	0.082	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-1.1	176.3	0	0	0	0	0	115.8	S102 I400 V401	G96-S102 PolarHBondContact O-OG 3.35Å; G96-I400 WeakPolarHBondContact O-CA 3.43Å; G96-V401 VanDerWaalsContact CA-O 3.26Å; G96-V401 WeakPolarHBondContact CA-O 3.3Å; G96-V401 PolarHBondContact O-N 2.83Å
97	L	97.6	Very high	97.6	Very high	8 Å²	8	63.7 Å²	63.7	4%	0.042	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-22.4	-178.2	-71	178	0	0	0	115.4	L93 R94 S102 R106 R316 I400	L93-L97 HydrophobicContact CD2-CD1 4Å; R94-L97 HydrophobicContact CG-CD1 3.87Å; R94-L97 HydrophobicContact CG-CD2 4.23Å; R94-L97 HydrophobicContact CG-CG 3.84Å; R94-L97 WeakPolarHBondContact O-CD1 3.33Å; R94-L97 WeakPolarHBondContact O-CG 3.33Å; L97-S102 WeakPolarHBondContact O-CB 3.38Å; L97-S102 PolarHBondContact O-OG 2.87Å; L97-R106 PolarHBondContact O-NH2 2.62Å; L97-R316 VanDerWaalsContact CD2-CZ 3.43Å; L97-I400 HydrophobicContact CD2-CG1 3.7Å
98	N	97.3	Very high	97.6	Very high	152 Å²	152	64.4 Å²	64.4	81%	0.813	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	31.5	-172.5	-60.8	-39.7	0	0	0	112
99	K	97.6	Very high	97.7	Very high	104 Å²	104	60.5 Å²	60.5	45%	0.452	31%	0.311	S	S	.	.	S	Bend	trans	-72.8	159.2	168.1	-61.2	-63.9	-174.4	176.4	0	109.2	E101 S102 V401	K99-E101 PolarHBondContact O-N 2.87Å; K99-E101 VanDerWaalsContact O-N 3.1Å; K99-S102 WeakPolarHBondContact CB-OG 3.4Å; K99-S102 PolarHBondContact N-OG 3.02Å; K99-S102 VanDerWaalsContact O-CB 3.24Å; K99-S102 WeakPolarHBondContact O-CB 3.45Å; K99-S102 PolarHBondContact O-N 2.71Å; K99-S102 PolarHBondContact O-OG 2.94Å; K99-V401 HydrophobicContact CB-CB 3.92Å; K99-V401 HydrophobicContact CB-CG1 4.17Å; K99-V401 HydrophobicContact CG-CB 3.99Å; K99-V401 HydrophobicContact CG-CG1 4.34Å
100	P	97.6	Very high	97.7	Very high	120 Å²	120	59.8 Å²	59.8	78%	0.779	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-38.9	-179.5	-28.6	36.2	0	0	0	113.4
101	E	97.1	Very high	97.8	Very high	104 Å²	104	62.7 Å²	62.7	49%	0.486	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.4	-177.3	-46.7	86.8	161.5	0	0	113.2	K99 N103 E104 Q105 V401	K99-E101 PolarHBondContact O-N 2.87Å; K99-E101 VanDerWaalsContact O-N 3.1Å; E101-N103 VanDerWaalsContact C-N 3.3Å; E101-N103 PolarHBondContact O-N 2.77Å; E101-E104 PolarHBondContact O-N 3.3Å; E101-Q105 WeakPolarHBondContact O-CB 3.12Å; E101-Q105 PolarHBondContact O-N 2.99Å; E101-V401 HydrophobicContact CB-CG2 4.36Å
102	S	97.6	Very high	97.9	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.007	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-39.1	-173.5	-69.1	0	0	0	0	112.7	G96 L97 K99 R106 G399	G96-S102 PolarHBondContact O-OG 3.35Å; L97-S102 WeakPolarHBondContact O-CB 3.38Å; L97-S102 PolarHBondContact O-OG 2.87Å; K99-S102 WeakPolarHBondContact CB-OG 3.4Å; K99-S102 PolarHBondContact N-OG 3.02Å; K99-S102 VanDerWaalsContact O-CB 3.24Å; K99-S102 WeakPolarHBondContact O-CB 3.45Å; K99-S102 PolarHBondContact O-N 2.71Å; K99-S102 PolarHBondContact O-OG 2.94Å; S102-R106 VanDerWaalsContact O-CB 3.23Å; S102-R106 WeakPolarHBondContact O-CB 3.21Å; S102-R106 PolarHBondContact O-N 3Å; S102-G399 VanDerWaalsContact CB-O 3.22Å; S102-G399 WeakPolarHBondContact CB-O 3.22Å; S102-G399 WeakPolarHBondContact O-CA 3.49Å; S102-G399 PolarHBondContact OG-O 3.31Å; S102-G399 VanDerWaalsContact OG-O 3.12Å
103	N	97.8	Very high	97.9	Very high	91 Å²	91	65.8 Å²	65.8	49%	0.487	33%	0.328	S	S	.	.	H	α-helix	trans	-70.6	-43.8	-179.7	-169.5	65.6	0	0	0	111.5	E101 R106 Q107	E101-N103 VanDerWaalsContact C-N 3.3Å; E101-N103 PolarHBondContact O-N 2.77Å; N103-R106 PolarHBondContact O-N 3.09Å; N103-Q107 VanDerWaalsContact O-CG 3.3Å; N103-Q107 WeakPolarHBondContact O-CG 3.32Å; N103-Q107 PolarHBondContact O-N 3.4Å
104	E	98.2	Very high	97.9	Very high	128 Å²	128	66.3 Å²	66.3	60%	0.598	33%	0.331	S	S	*	.	H	α-helix	trans	-64.4	-45.7	176.8	-177	177.4	-177.9	0	0	111.5	E101 R106 Q107 N108	E101-E104 PolarHBondContact O-N 3.3Å; E104-R106 VanDerWaalsContact C-N 3.29Å; E104-R106 PolarHBondContact O-N 3.24Å; E104-Q107 PolarHBondContact O-N 3.35Å; E104-N108 WeakPolarHBondContact O-CB 3.36Å; E104-N108 PolarHBondContact O-N 2.93Å; E104-N108 PolarHBondContact O-ND2 3.39Å
105	Q	97.8	Very high	97.9	Very high	64 Å²	64	70.5 Å²	70.5	30%	0.299	35%	0.351	S	S	.	.	H	α-helix	trans	-57.3	-44	176.3	-171.5	-170.5	80.5	0	0	111.4	E101 N108 G109 A396 I400	E101-Q105 WeakPolarHBondContact O-CB 3.12Å; E101-Q105 PolarHBondContact O-N 2.99Å; Q105-N108 PolarHBondContact O-N 2.98Å; Q105-G109 PolarHBondContact O-N 3.07Å; Q105-A396 CarbonylContact C-O 3.53Å; Q105-A396 HydrophobicContact CG-CB 4.03Å; Q105-I400 PolarHBondContact OE1-O 2.84Å
106	R	98.4	Very high	97.9	Very high	29 Å²	29	64.4 Å²	64.4	11%	0.109	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-46.8	176.5	177.9	174.5	-46	115.3	3.9	112	L97 S102 N103 E104 G109 L110 W320 T397	L97-R106 PolarHBondContact O-NH2 2.62Å; S102-R106 VanDerWaalsContact O-CB 3.23Å; S102-R106 WeakPolarHBondContact O-CB 3.21Å; S102-R106 PolarHBondContact O-N 3Å; N103-R106 PolarHBondContact O-N 3.09Å; E104-R106 VanDerWaalsContact C-N 3.29Å; E104-R106 PolarHBondContact O-N 3.24Å; R106-G109 PolarHBondContact O-N 3.17Å; R106-L110 PolarHBondContact O-N 2.59Å; R106-W320 HydrophobicContact CG-CE3 4.32Å; R106-W320 HydrophobicContact CG-CH2 3.58Å; R106-W320 HydrophobicContact CG-CZ2 3.81Å; R106-W320 HydrophobicContact CG-CZ3 3.86Å; R106-T397 WeakPolarHBondContact CG-O 3.36Å
107	Q	98.1	Very high	98	Very high	62 Å²	62	64.6 Å²	64.6	29%	0.29	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-43.6	178.7	-66.8	-65.2	-5.8	0	0	112	N103 E104 G109 L110 K111	N103-Q107 VanDerWaalsContact O-CG 3.3Å; N103-Q107 WeakPolarHBondContact O-CG 3.32Å; N103-Q107 PolarHBondContact O-N 3.4Å; E104-Q107 PolarHBondContact O-N 3.35Å; Q107-G109 VanDerWaalsContact C-N 3.35Å; Q107-L110 PolarHBondContact O-N 3.01Å; Q107-K111 WeakPolarHBondContact O-CG 3.46Å; Q107-K111 PolarHBondContact O-N 2.9Å
108	N	98.1	Very high	98	Very high	70 Å²	70	70.4 Å²	70.4	37%	0.374	35%	0.345	S	S	.	.	H	α-helix	trans	-65.9	-38.9	177.7	-70.2	-21.7	0	0	0	111.6	E104 Q105 K111 M112	E104-N108 WeakPolarHBondContact O-CB 3.36Å; E104-N108 PolarHBondContact O-N 2.93Å; E104-N108 PolarHBondContact O-ND2 3.39Å; Q105-N108 PolarHBondContact O-N 2.98Å; N108-K111 PolarHBondContact O-N 2.91Å; N108-K111 PolarHBondContact OD1-NZ 3.11Å; N108-M112 WeakPolarHBondContact O-CG 3.37Å; N108-M112 PolarHBondContact O-N 3.38Å
109	G	98.3	Very high	97.9	Very high	3 Å²	3	66.7 Å²	66.7	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-58.9	-47.3	171.4	0	0	0	0	0	112.5	Q105 R106 Q107 K111 M112 V113 T397	Q105-G109 PolarHBondContact O-N 3.07Å; R106-G109 PolarHBondContact O-N 3.17Å; Q107-G109 VanDerWaalsContact C-N 3.35Å; G109-K111 VanDerWaalsContact C-N 3.34Å; G109-K111 PolarHBondContact O-N 3.38Å; G109-M112 WeakPolarHBondContact O-CB 3.15Å; G109-M112 PolarHBondContact O-N 3Å; G109-M112 VanDerWaalsContact O-N 3.09Å; G109-V113 PolarHBondContact O-N 3.19Å; G109-T397 WeakPolarHBondContact CA-OG1 3.15Å; G109-T397 PolarHBondContact O-OG1 3.19Å
110	L	98.6	Very high	97.8	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-62.5	-39.3	178.3	-174.9	66.1	0	0	0	112.3	R106 Q107 M112 V113 D114 W320 L321 Q387 T397	R106-L110 PolarHBondContact O-N 2.59Å; Q107-L110 PolarHBondContact O-N 3.01Å; L110-M112 VanDerWaalsContact C-N 3.26Å; L110-M112 PolarHBondContact O-N 3.36Å; L110-V113 HydrophobicContact CD1-CB 4.4Å; L110-V113 CarbonylContact O-C 3.55Å; L110-V113 WeakPolarHBondContact O-CA 3.49Å; L110-V113 VanDerWaalsContact O-CB 3.31Å; L110-V113 WeakPolarHBondContact O-CB 3.46Å; L110-V113 PolarHBondContact O-N 3.09Å; L110-D114 PolarHBondContact O-N 2.71Å; L110-W320 HydrophobicContact CB-CH2 4.4Å; L110-W320 HydrophobicContact CD2-CH2 3.72Å; L110-W320 HydrophobicContact CD2-CZ3 4.12Å; L110-L321 HydrophobicContact CD1-CD2 4.27Å; L110-L321 HydrophobicContact CD2-CD2 4.08Å; L110-Q387 HydrophobicContact CD1-CB 4.15Å; L110-Q387 HydrophobicContact CD1-CG 4.2Å; L110-T397 HydrophobicContact CB-CG2 4.23Å; L110-T397 HydrophobicContact CD1-CG2 4.42Å; L110-T397 PolarHBondContact N-OG1 3.44Å
111	K	98.5	Very high	97.8	Very high	128 Å²	128	63.2 Å²	63.2	56%	0.557	30%	0.304	S	S	*	.	H	α-helix	trans	-58	-39.1	173.5	-70.3	171.6	-172.9	167.6	0	112.1	Q107 N108 G109 V113 D114 Q115	Q107-K111 WeakPolarHBondContact O-CG 3.46Å; Q107-K111 PolarHBondContact O-N 2.9Å; N108-K111 PolarHBondContact O-N 2.91Å; N108-K111 PolarHBondContact OD1-NZ 3.11Å; G109-K111 VanDerWaalsContact C-N 3.34Å; G109-K111 PolarHBondContact O-N 3.38Å; K111-V113 VanDerWaalsContact C-N 3.33Å; K111-D114 PolarHBondContact O-N 3.24Å; K111-Q115 WeakPolarHBondContact O-CB 3.45Å; K111-Q115 PolarHBondContact O-N 2.88Å
112	M	98.5	Very high	97.8	Very high	86 Å²	86	59.5 Å²	59.5	42%	0.424	29%	0.287	S	S	.	.	H	α-helix	trans	-67.5	-34.9	175.5	-61.2	-55	-57.5	0	0	112.1	N108 G109 L110 A116 Y394	N108-M112 WeakPolarHBondContact O-CG 3.37Å; N108-M112 PolarHBondContact O-N 3.38Å; G109-M112 WeakPolarHBondContact O-CB 3.15Å; G109-M112 PolarHBondContact O-N 3Å; G109-M112 VanDerWaalsContact O-N 3.09Å; L110-M112 VanDerWaalsContact C-N 3.26Å; L110-M112 PolarHBondContact O-N 3.36Å; M112-A116 WeakPolarHBondContact O-CB 3.41Å; M112-A116 PolarHBondContact O-N 2.86Å; M112-Y394 HydrophobicContact CB-CD1 3.6Å; M112-Y394 HydrophobicContact CB-CE1 3.89Å; M112-Y394 HydrophobicContact CB-CG 4.24Å
113	V	98.7	Very high	97.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.1	-50.7	172.2	171.7	0	0	0	0	110.1	G109 L110 K111 Q115 A116 I117 Q387 M390 Y394	G109-V113 PolarHBondContact O-N 3.19Å; L110-V113 HydrophobicContact CD1-CB 4.4Å; L110-V113 CarbonylContact O-C 3.55Å; L110-V113 WeakPolarHBondContact O-CA 3.49Å; L110-V113 VanDerWaalsContact O-CB 3.31Å; L110-V113 WeakPolarHBondContact O-CB 3.46Å; L110-V113 PolarHBondContact O-N 3.09Å; K111-V113 VanDerWaalsContact C-N 3.33Å; V113-Q115 VanDerWaalsContact C-N 3.34Å; V113-Q115 PolarHBondContact O-N 2.92Å; V113-A116 WeakPolarHBondContact O-CA 3.22Å; V113-A116 WeakPolarHBondContact O-CB 3.07Å; V113-A116 PolarHBondContact O-N 3.09Å; V113-I117 HydrophobicContact CG1-CD1 3.83Å; V113-I117 HydrophobicContact CG1-CG1 4.38Å; V113-I117 WeakPolarHBondContact O-CG1 3.45Å; V113-I117 PolarHBondContact O-N 3.44Å; V113-Q387 HydrophobicContact CG1-CB 4.14Å; V113-Q387 HydrophobicContact CG1-CG 4.12Å; V113-M390 HydrophobicContact CG1-CB 3.69Å; V113-M390 HydrophobicContact CG1-CE 4.32Å; V113-M390 HydrophobicContact CG1-SD 4.47Å; V113-M390 HydrophobicContact CG2-CB 4.4Å; V113-Y394 HydrophobicContact CG2-CD2 3.75Å; V113-Y394 HydrophobicContact CG2-CG 4Å
114	D	98.3	Very high	97.6	Very high	62 Å²	62	65.3 Å²	65.3	33%	0.332	33%	0.326	S	S	.	.	H	α-helix	trans	-61	-43	179.9	-68.9	-26.4	0	0	0	111.9	L110 K111 A116 I117 W118 Q387	L110-D114 PolarHBondContact O-N 2.71Å; K111-D114 PolarHBondContact O-N 3.24Å; D114-A116 VanDerWaalsContact C-N 3.29Å; D114-A116 PolarHBondContact O-N 2.94Å; D114-I117 PolarHBondContact O-N 3.5Å; D114-W118 WeakPolarHBondContact O-CB 3.23Å; D114-W118 PolarHBondContact O-N 3.38Å; D114-Q387 PolarHBondContact OD1-NE2 3.44Å
115	Q	98.2	Very high	97.4	Very high	118 Å²	118	61.2 Å²	61.2	55%	0.551	32%	0.318	S	S	*	.	H	α-helix	trans	-59.4	-42	174.2	-173.5	-175.7	7.6	0	0	111.3	K111 V113 W118 S119	K111-Q115 WeakPolarHBondContact O-CB 3.45Å; K111-Q115 PolarHBondContact O-N 2.88Å; V113-Q115 VanDerWaalsContact C-N 3.34Å; V113-Q115 PolarHBondContact O-N 2.92Å; Q115-W118 PolarHBondContact O-N 2.77Å; Q115-S119 VanDerWaalsContact O-CB 3.24Å; Q115-S119 WeakPolarHBondContact O-CB 3.41Å; Q115-S119 PolarHBondContact O-N 2.95Å; Q115-S119 PolarHBondContact O-OG 3.4Å
116	A	97.8	Very high	97.4	Very high	11 Å²	11	61.2 Å²	61.2	9%	0.091	32%	0.323	C	S	.	.	H	α-helix	trans	-66	-45.8	178.2	0	0	0	0	0	111.9	M112 V113 D114 W118 S119 K120 M390 Y394	M112-A116 WeakPolarHBondContact O-CB 3.41Å; M112-A116 PolarHBondContact O-N 2.86Å; V113-A116 WeakPolarHBondContact O-CA 3.22Å; V113-A116 WeakPolarHBondContact O-CB 3.07Å; V113-A116 PolarHBondContact O-N 3.09Å; D114-A116 VanDerWaalsContact C-N 3.29Å; D114-A116 PolarHBondContact O-N 2.94Å; A116-W118 VanDerWaalsContact C-N 3.35Å; A116-W118 PolarHBondContact O-N 2.95Å; A116-S119 WeakPolarHBondContact CA-OG 3.26Å; A116-S119 PolarHBondContact O-N 2.9Å; A116-S119 PolarHBondContact O-OG 3.07Å; A116-K120 PolarHBondContact O-N 2.93Å; A116-M390 HydrophobicContact CB-CE 3.63Å; A116-Y394 HydrophobicContact CB-CE2 3.55Å; A116-Y394 WeakPolarHBondContact CB-OH 3.32Å
117	I	97.9	Very high	97.2	Very high	11 Å²	11	64.4 Å²	64.4	6%	0.056	33%	0.334	C	S	.	.	H	α-helix	trans	-56.6	-50	174.6	-68.4	171.3	0	0	0	110.1	V113 D114 S119 K120 Q355 L386 Q387 M390	V113-I117 HydrophobicContact CG1-CD1 3.83Å; V113-I117 HydrophobicContact CG1-CG1 4.38Å; V113-I117 WeakPolarHBondContact O-CG1 3.45Å; V113-I117 PolarHBondContact O-N 3.44Å; D114-I117 PolarHBondContact O-N 3.5Å; I117-S119 PolarHBondContact O-N 3.12Å; I117-K120 PolarHBondContact O-N 3.04Å; I117-Q355 PolarHBondContact O-NE2 3.23Å; I117-L386 HydrophobicContact CD1-CD2 3.93Å; I117-L386 HydrophobicContact CD1-CG 3.97Å; I117-L386 HydrophobicContact CG1-CD2 3.95Å; I117-L386 HydrophobicContact CG1-CG 4.26Å; I117-L386 HydrophobicContact CG2-CD2 4.01Å; I117-Q387 HydrophobicContact CD1-CG 3.74Å; I117-M390 HydrophobicContact CD1-SD 3.85Å; I117-M390 HydrophobicContact CG1-CE 3.7Å; I117-M390 HydrophobicContact CG1-SD 3.27Å; I117-M390 WeakPolarHBondContact CG1-SD 3.18Å
118	W	96.8	Very high	97.2	Very high	130 Å²	130	61.7 Å²	61.7	49%	0.492	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-41.3	-179.7	178.8	-104.5	0	0	0	112.5	D114 Q115 A116 K120 R127 R128	D114-W118 WeakPolarHBondContact O-CB 3.23Å; D114-W118 PolarHBondContact O-N 3.38Å; Q115-W118 PolarHBondContact O-N 2.77Å; A116-W118 VanDerWaalsContact C-N 3.35Å; A116-W118 PolarHBondContact O-N 2.95Å; W118-K120 VanDerWaalsContact C-N 3.3Å; W118-K120 PolarHBondContact O-N 2.69Å; W118-R127 HydrophobicContact CE3-CB 4.38Å; W118-R127 HydrophobicContact CH2-CB 3.89Å; W118-R127 HydrophobicContact CH2-CG 4.22Å; W118-R127 HydrophobicContact CZ2-CB 4.22Å; W118-R127 HydrophobicContact CZ2-CG 4.04Å; W118-R127 HydrophobicContact CZ3-CB 3.97Å; W118-R127 WeakPolarHBondContact O-CD 3.13Å; W118-R127 PolarHBondContact O-NH1 2.96Å; W118-R128 VanDerWaalsContact CE3-O 3.31Å; W118-R128 WeakPolarHBondContact CZ3-O 3.33Å
119	S	96.1	Very high	97.1	Very high	75 Å²	75	64.7 Å²	64.7	52%	0.524	34%	0.336	S	S	.	.	H	α-helix	trans	-65.8	-27.3	-177.9	70.7	0	0	0	0	114.2	Q115 A116 I117 R127	Q115-S119 VanDerWaalsContact O-CB 3.24Å; Q115-S119 WeakPolarHBondContact O-CB 3.41Å; Q115-S119 PolarHBondContact O-N 2.95Å; Q115-S119 PolarHBondContact O-OG 3.4Å; A116-S119 WeakPolarHBondContact CA-OG 3.26Å; A116-S119 PolarHBondContact O-N 2.9Å; A116-S119 PolarHBondContact O-OG 3.07Å; I117-S119 PolarHBondContact O-N 3.12Å; S119-R127 VanDerWaalsContact CA-NH1 3.27Å; S119-R127 PolarHBondContact O-NH1 3.37Å
120	K	95.9	Very high	96.9	Very high	51 Å²	51	68.7 Å²	68.7	22%	0.222	36%	0.362	C	S	.	.	S	Bend	trans	-88.5	120	175.4	-178.6	177	174.4	-166.7	0	109.6	A116 I117 W118 Q355	A116-K120 PolarHBondContact O-N 2.93Å; I117-K120 PolarHBondContact O-N 3.04Å; W118-K120 VanDerWaalsContact C-N 3.3Å; W118-K120 PolarHBondContact O-N 2.69Å; K120-Q355 HydrophobicContact CB-CG 4.48Å; K120-Q355 HydrophobicContact CD-CG 3.45Å; K120-Q355 VanDerWaalsContact CD-CG 3.45Å; K120-Q355 HydrophobicContact CG-CG 3.85Å; K120-Q355 PolarHBondContact O-NE2 2.77Å
121	K	96.3	Very high	96.7	Very high	99 Å²	99	69.8 Å²	69.8	43%	0.43	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-67.2	155.7	174.4	-61.1	-56.4	-161.9	87.7	0	110.8	G125 T126 R127	K121-G125 WeakPolarHBondContact CD-O 3.4Å; K121-G125 PolarHBondContact NZ-O 3.26Å; K121-T126 WeakPolarHBondContact CA-O 3.41Å; K121-R127 HydrophobicContact CD-CG 3.99Å; K121-R127 VanDerWaalsContact CE-CZ 3.45Å
122	M	97	Very high	96.4	Very high	27 Å²	27	66.2 Å²	66.2	13%	0.133	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-73.6	168.2	165.8	-63.2	-171.9	-56.9	0	0	110.1	N124 G125 T126 R128 D356	M122-N124 PolarHBondContact O-N 2.85Å; M122-N124 VanDerWaalsContact O-N 3.16Å; M122-G125 PolarHBondContact O-N 3.44Å; M122-T126 WeakPolarHBondContact CE-OG1 3.41Å; M122-T126 PolarHBondContact N-O 3.46Å; M122-R128 HydrophobicContact CG-CB 4.1Å; M122-R128 HydrophobicContact SD-CB 4.14Å; M122-R128 HydrophobicContact SD-CG 4.29Å; M122-D356 WeakPolarHBondContact CA-OD1 3.43Å; M122-D356 WeakPolarHBondContact CB-OD1 3.46Å
123	S	95.8	Very high	96.2	Very high	103 Å²	103	63.7 Å²	63.7	72%	0.72	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.8	-177.8	-66.7	0	0	0	0	113.5	G125 D356	S123-G125 PolarHBondContact O-N 2.91Å; S123-D356 WeakPolarHBondContact CB-OD2 3.41Å; S123-D356 PolarHBondContact N-OD1 3.01Å; S123-D356 PolarHBondContact OG-OD1 3.5Å; S123-D356 PolarHBondContact OG-OD2 3.3Å
124	N	95.4	Very high	96.1	Very high	111 Å²	111	69 Å²	69	59%	0.594	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	6	173.6	68.8	6.9	0	0	0	114.3	M122 T126	M122-N124 PolarHBondContact O-N 2.85Å; M122-N124 VanDerWaalsContact O-N 3.16Å; N124-T126 VanDerWaalsContact C-N 3.26Å; N124-T126 PolarHBondContact ND2-OG1 2.73Å; N124-T126 PolarHBondContact O-N 3.44Å; N124-T126 WeakPolarHBondContact OD1-CB 3.47Å; N124-T126 PolarHBondContact OD1-N 2.65Å; N124-T126 PolarHBondContact OD1-OG1 3.25Å
125	G	95.4	Very high	95.9	Very high	41 Å²	41	71.9 Å²	71.9	42%	0.423	39%	0.386	S	S	.	.	S	Bend	trans	80.6	-6.7	179.3	0	0	0	0	0	115.4	K121 M122 S123	K121-G125 WeakPolarHBondContact CD-O 3.4Å; K121-G125 PolarHBondContact NZ-O 3.26Å; M122-G125 PolarHBondContact O-N 3.44Å; S123-G125 PolarHBondContact O-N 2.91Å
126	T	96.8	Very high	95.9	Very high	65 Å²	65	66.3 Å²	66.3	40%	0.399	36%	0.36	S	S	.	.	S	Bend	trans	-84	161.6	-179.8	70.4	0	0	0	0	112.2	K121 M122 N124	K121-T126 WeakPolarHBondContact CA-O 3.41Å; M122-T126 WeakPolarHBondContact CE-OG1 3.41Å; M122-T126 PolarHBondContact N-O 3.46Å; N124-T126 VanDerWaalsContact C-N 3.26Å; N124-T126 PolarHBondContact ND2-OG1 2.73Å; N124-T126 PolarHBondContact O-N 3.44Å; N124-T126 WeakPolarHBondContact OD1-CB 3.47Å; N124-T126 PolarHBondContact OD1-N 2.65Å; N124-T126 PolarHBondContact OD1-OG1 3.25Å
127	R	95.4	Very high	95.9	Very high	95 Å²	95	69.2 Å²	69.2	36%	0.358	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-75.6	140.4	172.5	-71.7	-77.8	-177.9	-149.3	-0.6	108.6	W118 S119 K121 I129	W118-R127 HydrophobicContact CE3-CB 4.38Å; W118-R127 HydrophobicContact CH2-CB 3.89Å; W118-R127 HydrophobicContact CH2-CG 4.22Å; W118-R127 HydrophobicContact CZ2-CB 4.22Å; W118-R127 HydrophobicContact CZ2-CG 4.04Å; W118-R127 HydrophobicContact CZ3-CB 3.97Å; W118-R127 WeakPolarHBondContact O-CD 3.13Å; W118-R127 PolarHBondContact O-NH1 2.96Å; S119-R127 VanDerWaalsContact CA-NH1 3.27Å; S119-R127 PolarHBondContact O-NH1 3.37Å; K121-R127 HydrophobicContact CD-CG 3.99Å; K121-R127 VanDerWaalsContact CE-CZ 3.45Å; R127-I129 PolarHBondContact O-N 3.31Å
128	R	96.8	Very high	95.8	Very high	5 Å²	5	72.5 Å²	72.5	2%	0.019	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-64.8	125.2	171.2	-175.2	-168.5	176.8	90.2	-5.3	109.2	W118 M122 P130 Q355 I357 S358 D383	W118-R128 VanDerWaalsContact CE3-O 3.31Å; W118-R128 WeakPolarHBondContact CZ3-O 3.33Å; M122-R128 HydrophobicContact CG-CB 4.1Å; M122-R128 HydrophobicContact SD-CB 4.14Å; M122-R128 HydrophobicContact SD-CG 4.29Å; R128-P130 WeakPolarHBondContact O-CD 3.5Å; R128-Q355 PolarHBondContact NH1-O 2.88Å; R128-I357 VanDerWaalsContact CZ-O 3.26Å; R128-I357 VanDerWaalsContact NH1-C 3.31Å; R128-I357 PolarHBondContact NH1-O 3.16Å; R128-I357 PolarHBondContact NH2-O 3.01Å; R128-S358 VanDerWaalsContact NH1-CB 3.26Å; R128-D383 IonicContact CZ-OD1 3.56Å; R128-D383 IonicContact NE-OD1 2.72Å; R128-D383 PolarHBondContact NE-OD1 2.67Å; R128-D383 IonicContact NH2-OD1 3.71Å; R128-D383 PolarHBondContact NH2-OD1 3.24Å
129	I	96	Very high	95.8	Very high	133 Å²	133	69.2 Å²	69.2	68%	0.682	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-79.6	118.4	176.4	-58.5	172.2	0	0	0	107.8	R127	R127-I129 PolarHBondContact O-N 3.31Å
130	P	94.9	Very high	95.8	Very high	87 Å²	87	65.6 Å²	65.6	57%	0.565	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-70.7	148.8	179.1	30.2	-35	0	0	0	110.7	R128 D383	R128-P130 WeakPolarHBondContact O-CD 3.5Å; P130-D383 WeakPolarHBondContact CA-OD2 3.36Å
131	V	93.7	Very high	95.6	Very high	27 Å²	27	68.7 Å²	68.7	16%	0.164	37%	0.369	C	S	.	.			trans	-108.4	141.7	175.4	-66.4	0	0	0	0	111.5	P133 L360 G382 D383	V131-P133 WeakPolarHBondContact O-CD 3.46Å; V131-L360 HydrophobicContact CB-CD2 4.28Å; V131-L360 HydrophobicContact CB-CG 4.03Å; V131-L360 HydrophobicContact CG1-CG 4.2Å; V131-L360 HydrophobicContact CG2-CD2 4.09Å; V131-L360 HydrophobicContact CG2-CG 4.28Å; V131-G382 VanDerWaalsContact CG2-CA 3.49Å; V131-D383 PolarHBondContact N-OD2 2.93Å
132	S	92.9	Very high	95.6	Very high	53 Å²	53	70.7 Å²	70.7	37%	0.371	38%	0.379	S	S	.	.			trans	-78	127.6	-177.5	177.4	0	0	0	0	111.3	E134 Q135 A136	S132-E134 PolarHBondContact O-N 2.95Å; S132-E134 VanDerWaalsContact O-N 3.16Å; S132-E134 PolarHBondContact OG-N 3.3Å; S132-Q135 WeakPolarHBondContact O-CB 3.32Å; S132-Q135 PolarHBondContact O-N 3.36Å; S132-Q135 VanDerWaalsContact O-N 3.11Å; S132-A136 PolarHBondContact O-N 3.11Å
133	P	95.1	Very high	95.5	Very high	33 Å²	33	71.2 Å²	71.2	21%	0.214	38%	0.382	C	S	.	.	H	α-helix	trans	-58.9	-26.5	171.7	-24.6	34.5	0	0	0	112.9	V131 Q135 A136 R137	V131-P133 WeakPolarHBondContact O-CD 3.46Å; P133-Q135 VanDerWaalsContact C-N 3.34Å; P133-A136 PolarHBondContact O-N 3.24Å; P133-R137 VanDerWaalsContact O-CB 3.26Å; P133-R137 WeakPolarHBondContact O-CB 3.31Å; P133-R137 PolarHBondContact O-N 3.41Å
134	E	95.8	Very high	95.5	Very high	111 Å²	111	74 Å²	74	52%	0.519	38%	0.377	S	S	.	.	H	α-helix	trans	-70	-33.7	179.5	-48.8	-155.7	127.1	0	0	112.2	S132 R137 S138	S132-E134 PolarHBondContact O-N 2.95Å; S132-E134 VanDerWaalsContact O-N 3.16Å; S132-E134 PolarHBondContact OG-N 3.3Å; E134-R137 VanDerWaalsContact CG-NH2 3.33Å; E134-R137 PolarHBondContact O-N 3.45Å; E134-R137 IonicContact OE1-CZ 3.83Å; E134-R137 IonicContact OE1-NH1 3.95Å; E134-R137 IonicContact OE1-NH2 2.67Å; E134-R137 PolarHBondContact OE1-NH2 3.49Å; E134-S138 PolarHBondContact O-N 3.15Å; E134-S138 PolarHBondContact O-OG 2.86Å; E134-S138 VanDerWaalsContact O-OG 3.13Å
135	Q	94.6	Very high	95.5	Very high	124 Å²	124	71 Å²	71	58%	0.579	36%	0.363	S	S	*	.	H	α-helix	trans	-67.1	-43.2	176.3	-170.5	176.8	10.9	0	0	110.8	S132 P133 L360	S132-Q135 WeakPolarHBondContact O-CB 3.32Å; S132-Q135 PolarHBondContact O-N 3.36Å; S132-Q135 VanDerWaalsContact O-N 3.11Å; P133-Q135 VanDerWaalsContact C-N 3.34Å; Q135-L360 HydrophobicContact CB-CD1 4.15Å; Q135-L360 HydrophobicContact CG-CD1 3.8Å
136	A	96.6	Very high	95.6	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-61.7	-45.5	171.4	0	0	0	0	0	111.2	S132 P133 S138 Y139 N140 A325 L360 R380	S132-A136 PolarHBondContact O-N 3.11Å; P133-A136 PolarHBondContact O-N 3.24Å; A136-S138 VanDerWaalsContact C-N 3.35Å; A136-S138 PolarHBondContact O-N 2.95Å; A136-Y139 PolarHBondContact O-N 2.95Å; A136-Y139 VanDerWaalsContact O-N 3.14Å; A136-N140 WeakPolarHBondContact O-CB 3.45Å; A136-N140 PolarHBondContact O-N 3.49Å; A136-N140 PolarHBondContact O-ND2 3.37Å; A136-A325 HydrophobicContact CB-CB 4.17Å; A136-L360 HydrophobicContact CB-CD2 3.86Å; A136-R380 HydrophobicContact CB-CB 4.37Å
137	R	97.8	Very high	95.6	Very high	72 Å²	72	73.4 Å²	73.4	27%	0.272	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-40.1	-178.1	-176.4	175.3	66.7	-140.6	5.2	113.6	P133 E134 Y139 N140 K141 R324 A325	P133-R137 VanDerWaalsContact O-CB 3.26Å; P133-R137 WeakPolarHBondContact O-CB 3.31Å; P133-R137 PolarHBondContact O-N 3.41Å; E134-R137 VanDerWaalsContact CG-NH2 3.33Å; E134-R137 PolarHBondContact O-N 3.45Å; E134-R137 IonicContact OE1-CZ 3.83Å; E134-R137 IonicContact OE1-NH1 3.95Å; E134-R137 IonicContact OE1-NH2 2.67Å; E134-R137 PolarHBondContact OE1-NH2 3.49Å; R137-Y139 VanDerWaalsContact C-N 3.28Å; R137-Y139 PolarHBondContact O-N 3Å; R137-N140 PolarHBondContact O-N 3.36Å; R137-K141 HydrophobicContact CG-CD 3.93Å; R137-K141 HydrophobicContact CG-CG 4.18Å; R137-K141 WeakPolarHBondContact O-CB 3.16Å; R137-K141 WeakPolarHBondContact O-CG 3.47Å; R137-K141 PolarHBondContact O-N 3.4Å; R137-R324 PolarHBondContact NH1-O 2.98Å; R137-A325 WeakPolarHBondContact CA-O 3.4Å; R137-A325 PolarHBondContact N-O 3.07Å
138	S	96.4	Very high	95.6	Very high	80 Å²	80	72.2 Å²	72.2	56%	0.559	37%	0.371	S	S	*	.	H	α-helix	trans	-59.8	-39.2	177.5	-66.7	0	0	0	0	112.1	E134 A136 Q142	E134-S138 PolarHBondContact O-N 3.15Å; E134-S138 PolarHBondContact O-OG 2.86Å; E134-S138 VanDerWaalsContact O-OG 3.13Å; A136-S138 VanDerWaalsContact C-N 3.35Å; A136-S138 PolarHBondContact O-N 2.95Å; S138-Q142 WeakPolarHBondContact O-CG 3.39Å
139	Y	96.4	Very high	95.4	Very high	61 Å²	61	75.5 Å²	75.5	24%	0.239	39%	0.388	C	S	.	.	H	α-helix	trans	-75.1	-51.5	174.1	179.1	-94	0	0	0	111.7	A136 R137 K141 Q142 M143 R380	A136-Y139 PolarHBondContact O-N 2.95Å; A136-Y139 VanDerWaalsContact O-N 3.14Å; R137-Y139 VanDerWaalsContact C-N 3.28Å; R137-Y139 PolarHBondContact O-N 3Å; Y139-K141 VanDerWaalsContact C-N 3.3Å; Y139-K141 PolarHBondContact O-N 3Å; Y139-Q142 WeakPolarHBondContact O-CB 3.44Å; Y139-Q142 PolarHBondContact O-N 3.27Å; Y139-M143 HydrophobicContact CD1-CE 4.08Å; Y139-M143 HydrophobicContact CD1-CG 4.16Å; Y139-M143 HydrophobicContact CD1-SD 4.42Å; Y139-M143 HydrophobicContact CD2-CE 3.84Å; Y139-M143 HydrophobicContact CE1-CE 3.74Å; Y139-M143 HydrophobicContact CE1-CG 3.86Å; Y139-M143 HydrophobicContact CE1-SD 3.71Å; Y139-M143 HydrophobicContact CE2-CE 3.47Å; Y139-M143 VanDerWaalsContact CE2-CE 3.47Å; Y139-M143 HydrophobicContact CE2-SD 4.34Å; Y139-M143 HydrophobicContact CG-CE 4.14Å; Y139-M143 VanDerWaalsContact CZ-CE 3.41Å; Y139-M143 PolarHBondContact O-N 2.9Å; Y139-R380 HydrophobicContact CD1-CB 4.26Å; Y139-R380 HydrophobicContact CD1-CG 3.73Å; Y139-R380 HydrophobicContact CE1-CG 3.89Å; Y139-R380 HydrophobicContact CG-CG 4.45Å
140	N	97.4	Very high	95.1	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-61.8	-34.1	-172	-70	-16.7	0	0	0	113.6	A136 R137 Q142 M143 A325 G326 F379 R380	A136-N140 WeakPolarHBondContact O-CB 3.45Å; A136-N140 PolarHBondContact O-N 3.49Å; A136-N140 PolarHBondContact O-ND2 3.37Å; R137-N140 PolarHBondContact O-N 3.36Å; N140-Q142 PolarHBondContact O-N 3.24Å; N140-M143 WeakPolarHBondContact O-CB 3.27Å; N140-M143 PolarHBondContact O-N 3.31Å; N140-A325 PolarHBondContact ND2-O 3.05Å; N140-G326 VanDerWaalsContact CB-O 3.24Å; N140-G326 WeakPolarHBondContact CB-O 3.4Å; N140-F379 WeakPolarHBondContact OD1-CA 3.48Å; N140-F379 WeakPolarHBondContact OD1-CB 3.28Å; N140-R380 PolarHBondContact ND2-O 2.92Å; N140-R380 PolarHBondContact OD1-N 3.01Å
141	K	92.2	Very high	94.6	Very high	116 Å²	116	78.1 Å²	78.1	50%	0.504	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.1	177.7	-74.5	-174.9	173.3	-174.6	0	113.5	R137 Y139 R144 R330	R137-K141 HydrophobicContact CG-CD 3.93Å; R137-K141 HydrophobicContact CG-CG 4.18Å; R137-K141 WeakPolarHBondContact O-CB 3.16Å; R137-K141 WeakPolarHBondContact O-CG 3.47Å; R137-K141 PolarHBondContact O-N 3.4Å; Y139-K141 VanDerWaalsContact C-N 3.3Å; Y139-K141 PolarHBondContact O-N 3Å; K141-R144 PolarHBondContact O-NH1 3.48Å; K141-R330 PolarHBondContact O-NH2 3.02Å
142	Q	94.9	Very high	94.5	Very high	140 Å²	140	77 Å²	77	65%	0.654	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-25.9	176.6	-61.3	176.2	-1.1	0	0	111.7	S138 Y139 N140 R144	S138-Q142 WeakPolarHBondContact O-CG 3.39Å; Y139-Q142 WeakPolarHBondContact O-CB 3.44Å; Y139-Q142 PolarHBondContact O-N 3.27Å; N140-Q142 PolarHBondContact O-N 3.24Å; Q142-R144 PolarHBondContact O-NH1 3.13Å
143	M	95	Very high	94.4	Very high	38 Å²	38	77.5 Å²	77.5	19%	0.187	41%	0.407	C	S	.	.			trans	-62.8	142.5	-179.5	-59.3	-59.7	115.3	0	0	111.7	Y139 N140 Q378	Y139-M143 HydrophobicContact CD1-CE 4.08Å; Y139-M143 HydrophobicContact CD1-CG 4.16Å; Y139-M143 HydrophobicContact CD1-SD 4.42Å; Y139-M143 HydrophobicContact CD2-CE 3.84Å; Y139-M143 HydrophobicContact CE1-CE 3.74Å; Y139-M143 HydrophobicContact CE1-CG 3.86Å; Y139-M143 HydrophobicContact CE1-SD 3.71Å; Y139-M143 HydrophobicContact CE2-CE 3.47Å; Y139-M143 VanDerWaalsContact CE2-CE 3.47Å; Y139-M143 HydrophobicContact CE2-SD 4.34Å; Y139-M143 HydrophobicContact CG-CE 4.14Å; Y139-M143 VanDerWaalsContact CZ-CE 3.41Å; Y139-M143 PolarHBondContact O-N 2.9Å; N140-M143 WeakPolarHBondContact O-CB 3.27Å; N140-M143 PolarHBondContact O-N 3.31Å; M143-Q378 WeakPolarHBondContact CB-O 3.42Å; M143-Q378 WeakPolarHBondContact CG-O 3.35Å; M143-Q378 HydrophobicContact SD-CB 4.37Å
144	R	95.2	Very high	94.3	Very high	163 Å²	163	79.3 Å²	79.3	62%	0.615	41%	0.414	S	S	*	.			trans	-128.3	146.8	172.7	-65.7	-63.5	179.1	-79.6	-7	108	K141 Q142	K141-R144 PolarHBondContact O-NH1 3.48Å; Q142-R144 PolarHBondContact O-NH1 3.13Å
145	P	96.9	Very high	94.4	Very high	46 Å²	46	82 Å²	82	30%	0.299	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-68.7	141.9	178.5	28.7	-33.7	0	0	0	111.1	L375 L376 Y377	P145-L375 HydrophobicContact CB-CB 4.12Å; P145-L375 HydrophobicContact CB-CD2 4.13Å; P145-L375 HydrophobicContact CG-CD2 4.34Å; P145-L376 CarbonylContact C-O 3.59Å; P145-L376 VanDerWaalsContact CA-O 3.23Å; P145-L376 WeakPolarHBondContact CA-O 3.28Å; P145-Y377 HydrophobicContact CB-CD1 3.96Å; P145-Y377 HydrophobicContact CB-CD2 3.95Å; P145-Y377 HydrophobicContact CB-CE1 3.69Å; P145-Y377 HydrophobicContact CB-CE2 3.63Å; P145-Y377 HydrophobicContact CB-CG 4.11Å; P145-Y377 HydrophobicContact CG-CE1 3.81Å; P145-Y377 HydrophobicContact CG-CE2 4.22Å
146	A	96.8	Very high	94.5	Very high	53 Å²	53	78.4 Å²	78.4	44%	0.438	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	142.8	162.9	0	0	0	0	0	109.3	L375 L376	A146-L375 CarbonylContact O-C 3.33Å; A146-L375 WeakPolarHBondContact O-CA 3.38Å; A146-L376 HydrophobicContact CB-CB 4.47Å; A146-L376 PolarHBondContact N-O 3.2Å; A146-L376 PolarHBondContact O-N 2.67Å
147	I	96.6	Very high	94.6	Very high	105 Å²	105	79.6 Å²	79.6	54%	0.538	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	117.4	171.6	-62.8	172	0	0	0	107.2	D149 P373 L375	I147-D149 WeakPolarHBondContact CG2-O 3.33Å; I147-P373 HydrophobicContact CG2-CB 4.02Å; I147-L375 HydrophobicContact CG1-CD2 3.89Å
148	L	95.6	Very high	94.6	Very high	70 Å²	70	81 Å²	81	37%	0.366	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-45.1	174	-63.2	-178.2	0	0	0	111.1	Q366 A374 L376	L148-Q366 HydrophobicContact CD1-CG 3.98Å; L148-A374 HydrophobicContact CB-CB 4.1Å; L148-A374 PolarHBondContact N-O 3.46Å; L148-L376 HydrophobicContact CD1-CB 3.95Å; L148-L376 HydrophobicContact CD2-CB 3.92Å; L148-L376 HydrophobicContact CD2-CD2 4.07Å; L148-L376 HydrophobicContact CG-CB 3.81Å
149	D	92.3	Very high	94.7	Very high	73 Å²	73	78.4 Å²	78.4	39%	0.39	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.4	-178.4	-60.8	-71.9	0	0	0	109.5	I147 C151 R368 P373 A374	I147-D149 WeakPolarHBondContact CG2-O 3.33Å; D149-C151 VanDerWaalsContact CB-O 3.31Å; D149-C151 WeakPolarHBondContact CB-O 3.48Å; D149-C151 PolarHBondContact O-N 3.34Å; D149-R368 IonicContact OD2-CZ 2.83Å; D149-R368 IonicContact OD2-NH1 3.68Å; D149-R368 PolarHBondContact OD2-NH1 3.36Å; D149-R368 IonicContact OD2-NH2 3.57Å; D149-R368 PolarHBondContact OD2-NH2 3.49Å; D149-P373 WeakPolarHBondContact O-CA 3.41Å; D149-P373 WeakPolarHBondContact O-CB 3.35Å; D149-A374 HydrophobicContact CB-CB 3.78Å; D149-A374 PolarHBondContact O-N 2.76Å
150	H	89.4	Confident	94.8	Very high	177 Å²	177	79.8 Å²	79.8	82%	0.819	43%	0.425	S	S	*	.	S	Bend	trans	-63.8	-24.1	176.8	-71.9	-69.2	0	0	0	113.4
151	C	86.1	Confident	94.8	Very high	98 Å²	98	85.7 Å²	85.7	66%	0.662	45%	0.453	S	S	*	.	S	Bend	trans	-126.7	138.4	172.6	-61.8	0	0	0	0	109.3	D149 G153	D149-C151 VanDerWaalsContact CB-O 3.31Å; D149-C151 WeakPolarHBondContact CB-O 3.48Å; D149-C151 PolarHBondContact O-N 3.34Å; C151-G153 PolarHBondContact O-N 3.42Å; C151-G153 VanDerWaalsContact O-N 3.15Å
152	S	91	Very high	95	Very high	5 Å²	5	85.7 Å²	85.7	4%	0.035	45%	0.454	C	S	.	.			trans	-60.9	-24.7	179.7	63.6	0	0	0	0	114.7	N154 R368 H369 S372	S152-N154 VanDerWaalsContact C-N 3.25Å; S152-N154 PolarHBondContact OG-N 2.83Å; S152-N154 PolarHBondContact OG-O 3.35Å; S152-R368 PolarHBondContact O-NH1 3.23Å; S152-H369 WeakPolarHBondContact CB-O 3.23Å; S152-H369 PolarHBondContact OG-O 3.33Å; S152-S372 VanDerWaalsContact CB-O 3.29Å; S152-S372 WeakPolarHBondContact CB-O 3.48Å; S152-S372 PolarHBondContact N-O 2.89Å; S152-S372 PolarHBondContact OG-O 2.93Å
153	G	90.1	Very high	95.1	Very high	63 Å²	63	79.9 Å²	79.9	65%	0.649	43%	0.428	S	S	*	.	S	Bend	trans	88.9	-17	-171.5	0	0	0	0	0	113.3	C151	C151-G153 PolarHBondContact O-N 3.42Å; C151-G153 VanDerWaalsContact O-N 3.15Å
154	N	94.1	Very high	95.3	Very high	70 Å²	70	85.3 Å²	85.3	37%	0.374	45%	0.453	S	S	.	.			trans	-90.7	144.3	176.6	-70.1	-24.3	0	0	0	110.4	S152 Y173 R368 P370	S152-N154 VanDerWaalsContact C-N 3.25Å; S152-N154 PolarHBondContact OG-N 2.83Å; S152-N154 PolarHBondContact OG-O 3.35Å; N154-Y173 HydrophobicContact CB-CE1 4.45Å; N154-R368 WeakPolarHBondContact CB-O 3.49Å; N154-R368 PolarHBondContact ND2-O 3.02Å; N154-P370 HydrophobicContact CB-CG 4.28Å; N154-P370 WeakPolarHBondContact O-CA 3.48Å
155	K	96.3	Very high	95.5	Very high	167 Å²	167	81.9 Å²	81.9	73%	0.726	44%	0.441	S	S	*	.			trans	-130.1	152.9	-177.7	66.5	-174.5	82	178	0	110.1
156	W	98.3	Very high	95.6	Very high	49 Å²	49	80.1 Å²	80.1	19%	0.186	43%	0.429	C	S	.	.			trans	-64.6	149.3	168.2	-60.1	118.5	0	0	0	110.5	N158 Y173 N175 P176 M338 P370 D371	W156-N158 PolarHBondContact O-N 3.45Å; W156-Y173 WeakPolarHBondContact CA-O 3.49Å; W156-Y173 VanDerWaalsContact CE3-O 3.29Å; W156-N175 HydrophobicContact CB-CB 4.2Å; W156-N175 HydrophobicContact CD2-CB 3.88Å; W156-N175 HydrophobicContact CE3-CB 4.44Å; W156-N175 HydrophobicContact CG-CB 3.78Å; W156-N175 PolarHBondContact NE1-ND2 3.39Å; W156-P176 HydrophobicContact CH2-CG 4.32Å; W156-M338 HydrophobicContact CH2-CG 3.85Å; W156-M338 HydrophobicContact CZ3-CG 3.94Å; W156-M338 HydrophobicContact CZ3-SD 4.15Å; W156-P370 HydrophobicContact CD2-CB 3.54Å; W156-P370 HydrophobicContact CD2-CG 3.89Å; W156-P370 VanDerWaalsContact CE2-CB 3.49Å; W156-P370 HydrophobicContact CE3-CB 3.92Å; W156-P370 HydrophobicContact CE3-CG 3.7Å; W156-P370 HydrophobicContact CG-CB 3.93Å; W156-P370 HydrophobicContact CH2-CB 4.2Å; W156-P370 HydrophobicContact CH2-CG 4.08Å; W156-P370 HydrophobicContact CZ2-CB 3.84Å; W156-P370 HydrophobicContact CZ2-CG 4.24Å; W156-P370 HydrophobicContact CZ3-CB 4.24Å; W156-P370 HydrophobicContact CZ3-CG 3.81Å; W156-D371 VanDerWaalsContact CD1-OD2 3.23Å; W156-D371 VanDerWaalsContact NE1-CG 3.33Å; W156-D371 PolarHBondContact NE1-OD2 3.14Å
157	T	98.4	Very high	95.7	Very high	25 Å²	25	77.7 Å²	77.7	15%	0.153	41%	0.409	C	S	.	.			trans	-57	129.1	170.5	-57.6	0	0	0	0	109.3	T159 L166 E170 Y173	T157-T159 PolarHBondContact O-N 3.17Å; T157-T159 VanDerWaalsContact O-N 3.16Å; T157-L166 HydrophobicContact CG2-CD1 3.77Å; T157-L166 HydrophobicContact CG2-CD2 3.84Å; T157-L166 HydrophobicContact CG2-CG 4.41Å; T157-E170 WeakPolarHBondContact CB-O 3.29Å; T157-E170 HydrophobicContact CG2-CB 4.02Å; T157-E170 HydrophobicContact CG2-CG 4.41Å; T157-E170 PolarHBondContact OG1-O 2.96Å; T157-Y173 PolarHBondContact N-O 3.45Å; T157-Y173 WeakPolarHBondContact OG1-CB 3.42Å; T157-Y173 PolarHBondContact OG1-O 2.61Å
158	N	98.1	Very high	95.7	Very high	102 Å²	102	72.7 Å²	72.7	55%	0.545	38%	0.383	S	S	.	.			trans	-72.4	109.6	-179.6	178.4	18.3	0	0	0	110.7	W156 S160 H161	W156-N158 PolarHBondContact O-N 3.45Å; N158-S160 VanDerWaalsContact OD1-CB 3.24Å; N158-S160 WeakPolarHBondContact OD1-CB 3.35Å; N158-S160 PolarHBondContact OD1-N 2.95Å; N158-S160 VanDerWaalsContact OD1-N 3.08Å; N158-S160 PolarHBondContact OD1-OG 3.04Å; N158-H161 PolarHBondContact O-CE1 2.86Å; N158-H161 PolarHBondContact O-ND1 3.45Å
159	T	97.9	Very high	95.9	Very high	26 Å²	26	73.5 Å²	73.5	16%	0.16	39%	0.385	C	S	.	.			trans	-101.7	8.7	-180	56.3	0	0	0	0	113.3	T157 H161 H162 L166 D178 Y180	T157-T159 PolarHBondContact O-N 3.17Å; T157-T159 VanDerWaalsContact O-N 3.16Å; T159-H161 PolarHBondContact O-N 3.33Å; T159-H161 VanDerWaalsContact O-N 3.15Å; T159-H162 WeakPolarHBondContact O-CA 3.49Å; T159-H162 PolarHBondContact O-N 2.73Å; T159-L166 HydrophobicContact CG2-CD1 3.92Å; T159-D178 WeakPolarHBondContact CB-OD2 3.35Å; T159-D178 VanDerWaalsContact CG2-OD2 3.29Å; T159-D178 WeakPolarHBondContact CG2-OD2 3.32Å; T159-D178 PolarHBondContact OG1-OD2 2.87Å; T159-Y180 HydrophobicContact CG2-CD2 4.47Å; T159-Y180 HydrophobicContact CG2-CE2 3.78Å
160	S	97.7	Very high	96.2	Very high	90 Å²	90	73.3 Å²	73.3	63%	0.629	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.3	-174.7	-52.7	0	0	0	0	114.2	N158 H162	N158-S160 VanDerWaalsContact OD1-CB 3.24Å; N158-S160 WeakPolarHBondContact OD1-CB 3.35Å; N158-S160 PolarHBondContact OD1-N 2.95Å; N158-S160 VanDerWaalsContact OD1-N 3.08Å; N158-S160 PolarHBondContact OD1-OG 3.04Å; S160-H162 PolarHBondContact O-CE1 2.9Å; S160-H162 PolarHBondContact O-N 3.08Å; S160-H162 PolarHBondContact O-ND1 3.45Å
161	H	97.1	Very high	96.6	Very high	124 Å²	124	64.9 Å²	64.9	57%	0.574	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	9.1	175.4	62.7	-80.4	0	0	0	112.6	N158 T159 P163	N158-H161 PolarHBondContact O-CE1 2.86Å; N158-H161 PolarHBondContact O-ND1 3.45Å; T159-H161 PolarHBondContact O-N 3.33Å; T159-H161 VanDerWaalsContact O-N 3.15Å; H161-P163 WeakPolarHBondContact NE2-CG 3.24Å
162	H	97.2	Very high	97.2	Very high	115 Å²	115	60.4 Å²	60.4	53%	0.532	31%	0.312	S	S	.	.			trans	54.2	49.1	175.5	-49.7	90.2	0	0	0	114.3	R78 T159 S160 E164	R78-H162 PolarHBondContact NH2-CD2 3.16Å; T159-H162 WeakPolarHBondContact O-CA 3.49Å; T159-H162 PolarHBondContact O-N 2.73Å; S160-H162 PolarHBondContact O-CE1 2.9Å; S160-H162 PolarHBondContact O-N 3.08Å; S160-H162 PolarHBondContact O-ND1 3.45Å; H162-E164 PolarHBondContact O-N 3.15Å
163	P	98.3	Very high	97.5	Very high	18 Å²	18	62.5 Å²	62.5	12%	0.117	32%	0.32	C	S	.	.			trans	-59	135.4	-178.4	23.7	-30.9	0	0	0	110.7	H161 Y165 L166 Y180	H161-P163 WeakPolarHBondContact NE2-CG 3.24Å; P163-Y165 PolarHBondContact O-N 3.24Å; P163-L166 HydrophobicContact CB-CD2 4.37Å; P163-L166 HydrophobicContact CG-CD1 4.29Å; P163-L166 HydrophobicContact CG-CD2 3.99Å; P163-L166 HydrophobicContact CG-CG 4.09Å; P163-Y180 WeakPolarHBondContact CD-OH 3.24Å; P163-Y180 VanDerWaalsContact CG-OH 3.32Å; P163-Y180 WeakPolarHBondContact CG-OH 3.23Å; P163-Y180 VanDerWaalsContact O-CE1 3.23Å; P163-Y180 WeakPolarHBondContact O-CE1 3.46Å; P163-Y180 VanDerWaalsContact O-CZ 3.31Å; P163-Y180 PolarHBondContact O-OH 2.84Å
164	E	98.3	Very high	97.9	Very high	152 Å²	152	59.6 Å²	59.6	71%	0.71	29%	0.29	S	S	*	.	S	Bend	trans	-60.7	-32.2	178.9	-65.6	-174.4	173.3	0	0	112.1	R78 H162	R78-E164 WeakPolarHBondContact CB-O 3.45Å; R78-E164 PolarHBondContact N-O 3.16Å; H162-E164 PolarHBondContact O-N 3.15Å
165	Y	98.6	Very high	98.1	Very high	91 Å²	91	57.8 Å²	57.8	36%	0.357	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	161	176.4	61.4	-94.7	0	0	0	112	I75 A76 P163 V167 V210	I75-Y165 HydrophobicContact CD1-CD2 4.45Å; I75-Y165 HydrophobicContact CD1-CG 4.35Å; A76-Y165 CarbonylContact O-C 3.57Å; A76-Y165 WeakPolarHBondContact O-CA 3.44Å; A76-Y165 WeakPolarHBondContact O-CB 3.42Å; P163-Y165 PolarHBondContact O-N 3.24Å; Y165-V167 HydrophobicContact CD2-CG2 4.01Å; Y165-V167 HydrophobicContact CE2-CG2 4.28Å; Y165-V210 HydrophobicContact CD1-CG1 4.36Å; Y165-V210 HydrophobicContact CD2-CG1 3.55Å; Y165-V210 HydrophobicContact CE1-CG1 4.23Å; Y165-V210 HydrophobicContact CE2-CG1 3.39Å; Y165-V210 HydrophobicContact CG-CG1 4.05Å
166	L	98.8	Very high	98.1	Very high	9 Å²	9	51.2 Å²	51.2	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.7	170.3	-65	156.9	0	0	0	108.3	I75 A76 T157 T159 P163 E170 A171 V174 Y180	I75-L166 CarbonylContact C-O 3.54Å; I75-L166 WeakPolarHBondContact CA-O 3.42Å; I75-L166 WeakPolarHBondContact CG1-O 3.47Å; A76-L166 HydrophobicContact CB-CB 4.24Å; A76-L166 PolarHBondContact N-O 3Å; A76-L166 PolarHBondContact O-N 3.26Å; T157-L166 HydrophobicContact CG2-CD1 3.77Å; T157-L166 HydrophobicContact CG2-CD2 3.84Å; T157-L166 HydrophobicContact CG2-CG 4.41Å; T159-L166 HydrophobicContact CG2-CD1 3.92Å; P163-L166 HydrophobicContact CB-CD2 4.37Å; P163-L166 HydrophobicContact CG-CD1 4.29Å; P163-L166 HydrophobicContact CG-CD2 3.99Å; P163-L166 HydrophobicContact CG-CG 4.09Å; L166-E170 HydrophobicContact CB-CB 4.29Å; L166-E170 HydrophobicContact CD2-CB 4.27Å; L166-A171 HydrophobicContact CB-CB 4.45Å; L166-A171 WeakPolarHBondContact O-CB 3.4Å; L166-V174 HydrophobicContact CD1-CG2 3.37Å; L166-Y180 HydrophobicContact CD1-CE1 4.31Å
167	V	98.9	Very high	98	Very high	2 Å²	2	56 Å²	56	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.4	-172.9	172.8	0	0	0	0	110.8	I75 Y165 E169 E170 V210 I211 H214	I75-V167 HydrophobicContact CG1-CG2 4.34Å; Y165-V167 HydrophobicContact CD2-CG2 4.01Å; Y165-V167 HydrophobicContact CE2-CG2 4.28Å; V167-E169 PolarHBondContact O-N 3.41Å; V167-E170 PolarHBondContact O-N 3.18Å; V167-V210 HydrophobicContact CG2-CG1 4.08Å; V167-I211 HydrophobicContact CG1-CB 4.15Å; V167-I211 HydrophobicContact CG1-CG1 4.07Å; V167-I211 HydrophobicContact CG1-CG2 3.79Å; V167-I211 HydrophobicContact CG2-CG1 4.33Å; V167-H214 HydrophobicContact CB-CB 4.29Å; V167-H214 HydrophobicContact CG1-CB 4.17Å; V167-H214 HydrophobicContact CG2-CB 4.06Å
168	G	98.5	Very high	98	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	-129.7	168.2	0	0	0	0	0	113.2	P72 V74 E170 A171 L172	P72-G168 WeakPolarHBondContact O-CA 3.44Å; V74-G168 PolarHBondContact O-N 3.24Å; G168-E170 VanDerWaalsContact C-N 3.28Å; G168-E170 PolarHBondContact O-N 3.28Å; G168-A171 WeakPolarHBondContact O-CB 3.41Å; G168-A171 PolarHBondContact O-N 3.08Å; G168-A171 VanDerWaalsContact O-N 3.07Å; G168-L172 PolarHBondContact O-N 3.17Å; G168-L172 VanDerWaalsContact O-N 3.14Å
169	E	98.1	Very high	98	Very high	87 Å²	87	54 Å²	54	41%	0.407	27%	0.274	S	S	.	.	H	α-helix	trans	-58.8	-41.1	-178.6	-156.6	71.6	-170.9	0	0	111.3	P72 V167 A171 L172 Y173	P72-E169 WeakPolarHBondContact CG-OE2 3.38Å; V167-E169 PolarHBondContact O-N 3.41Å; E169-A171 PolarHBondContact O-N 3.01Å; E169-L172 WeakPolarHBondContact O-CB 3.37Å; E169-L172 PolarHBondContact O-N 3.2Å; E169-Y173 HydrophobicContact CG-CD2 4.15Å; E169-Y173 HydrophobicContact CG-CE2 4.04Å; E169-Y173 WeakPolarHBondContact O-CD2 3.05Å; E169-Y173 PolarHBondContact O-N 3.07Å; E169-Y173 VanDerWaalsContact O-N 3.12Å; E169-Y173 VanDerWaalsContact OE1-CE2 3.31Å; E169-Y173 WeakPolarHBondContact OE1-CE2 3.36Å
170	E	98.4	Very high	98	Very high	69 Å²	69	53 Å²	53	32%	0.322	27%	0.268	S	S	.	.	H	α-helix	trans	-60.8	-34.7	177.4	-70.7	174.4	-163.1	0	0	112.1	T157 L166 V167 G168 V174 K218	T157-E170 WeakPolarHBondContact CB-O 3.29Å; T157-E170 HydrophobicContact CG2-CB 4.02Å; T157-E170 HydrophobicContact CG2-CG 4.41Å; T157-E170 PolarHBondContact OG1-O 2.96Å; L166-E170 HydrophobicContact CB-CB 4.29Å; L166-E170 HydrophobicContact CD2-CB 4.27Å; V167-E170 PolarHBondContact O-N 3.18Å; G168-E170 VanDerWaalsContact C-N 3.28Å; G168-E170 PolarHBondContact O-N 3.28Å; E170-V174 WeakPolarHBondContact O-CG2 2.88Å; E170-V174 PolarHBondContact O-N 3.34Å; E170-K218 IonicContact OE1-NZ 3.53Å; E170-K218 PolarHBondContact OE1-NZ 2.81Å
171	A	98.6	Very high	98	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-70.5	-36.3	175.3	0	0	0	0	0	112.5	V74 A76 L166 G168 E169 Y173 V174	V74-A171 HydrophobicContact CG1-CB 4.18Å; A76-A171 HydrophobicContact CB-CB 3.87Å; L166-A171 HydrophobicContact CB-CB 4.45Å; L166-A171 WeakPolarHBondContact O-CB 3.4Å; G168-A171 WeakPolarHBondContact O-CB 3.41Å; G168-A171 PolarHBondContact O-N 3.08Å; G168-A171 VanDerWaalsContact O-N 3.07Å; E169-A171 PolarHBondContact O-N 3.01Å; A171-Y173 VanDerWaalsContact C-N 3.3Å; A171-Y173 PolarHBondContact O-N 3.37Å; A171-V174 PolarHBondContact O-N 2.89Å
172	L	98	Very high	98.1	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-40.3	176.4	-67.9	178.6	0	0	0	111.5	P72 V74 W91 G168 E169 V174 W184 M338 L341	P72-L172 HydrophobicContact CB-CD1 3.77Å; P72-L172 HydrophobicContact CB-CG 4.28Å; P72-L172 HydrophobicContact CG-CD1 3.73Å; V74-L172 HydrophobicContact CG1-CD2 3.89Å; V74-L172 HydrophobicContact CG1-CG 4.01Å; W91-L172 HydrophobicContact CZ3-CD2 4.47Å; G168-L172 PolarHBondContact O-N 3.17Å; G168-L172 VanDerWaalsContact O-N 3.14Å; E169-L172 WeakPolarHBondContact O-CB 3.37Å; E169-L172 PolarHBondContact O-N 3.2Å; L172-V174 VanDerWaalsContact C-N 3.31Å; L172-V174 PolarHBondContact O-N 2.94Å; L172-W184 HydrophobicContact CD2-CH2 3.9Å; L172-W184 HydrophobicContact CD2-CZ2 3.76Å; L172-M338 VanDerWaalsContact O-CE 3.28Å; L172-M338 WeakPolarHBondContact O-CE 3.5Å; L172-L341 HydrophobicContact CD1-CD2 4.36Å
173	Y	98.4	Very high	98.2	Very high	50 Å²	50	38.8 Å²	38.8	20%	0.196	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	15.9	-178.6	-75	-102.1	0	0	0	113.9	N154 W156 T157 E169 A171 N175 M338 P370	N154-Y173 HydrophobicContact CB-CE1 4.45Å; W156-Y173 WeakPolarHBondContact CA-O 3.49Å; W156-Y173 VanDerWaalsContact CE3-O 3.29Å; T157-Y173 PolarHBondContact N-O 3.45Å; T157-Y173 WeakPolarHBondContact OG1-CB 3.42Å; T157-Y173 PolarHBondContact OG1-O 2.61Å; E169-Y173 HydrophobicContact CG-CD2 4.15Å; E169-Y173 HydrophobicContact CG-CE2 4.04Å; E169-Y173 WeakPolarHBondContact O-CD2 3.05Å; E169-Y173 PolarHBondContact O-N 3.07Å; E169-Y173 VanDerWaalsContact O-N 3.12Å; E169-Y173 VanDerWaalsContact OE1-CE2 3.31Å; E169-Y173 WeakPolarHBondContact OE1-CE2 3.36Å; A171-Y173 VanDerWaalsContact C-N 3.3Å; A171-Y173 PolarHBondContact O-N 3.37Å; Y173-N175 PolarHBondContact O-N 3.24Å; Y173-M338 HydrophobicContact CD1-CE 4.44Å; Y173-M338 HydrophobicContact CD1-SD 4.22Å; Y173-M338 HydrophobicContact CD2-CE 4.4Å; Y173-M338 HydrophobicContact CE1-SD 4.05Å; Y173-M338 HydrophobicContact CE2-CE 4.5Å; Y173-M338 HydrophobicContact CG-CE 4.38Å; Y173-P370 HydrophobicContact CD1-CG 4.08Å; Y173-P370 HydrophobicContact CE1-CG 4.36Å
174	V	98.5	Very high	98.2	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	19%	0.187	C	C	.	.	S	Bend	trans	-68.1	128.5	166	176.5	0	0	0	0	109.6	A76 L166 E170 A171 L172 D178 Y180 K337	A76-V174 HydrophobicContact CB-CG2 3.84Å; L166-V174 HydrophobicContact CD1-CG2 3.37Å; E170-V174 WeakPolarHBondContact O-CG2 2.88Å; E170-V174 PolarHBondContact O-N 3.34Å; A171-V174 PolarHBondContact O-N 2.89Å; L172-V174 VanDerWaalsContact C-N 3.31Å; L172-V174 PolarHBondContact O-N 2.94Å; V174-D178 HydrophobicContact CG1-CB 3.94Å; V174-Y180 HydrophobicContact CG1-CD2 4.02Å; V174-Y180 HydrophobicContact CG1-CG 4.13Å; V174-K337 PolarHBondContact O-NZ 3.01Å
175	N	98.1	Very high	98.2	Very high	31 Å²	31	31 Å²	31	17%	0.166	15%	0.154	C	C	.	.			trans	-53.3	127.9	175.8	-173.4	-38.6	0	0	0	109.3	W156 Y173 L177 D178	W156-N175 HydrophobicContact CB-CB 4.2Å; W156-N175 HydrophobicContact CD2-CB 3.88Å; W156-N175 HydrophobicContact CE3-CB 4.44Å; W156-N175 HydrophobicContact CG-CB 3.78Å; W156-N175 PolarHBondContact NE1-ND2 3.39Å; Y173-N175 PolarHBondContact O-N 3.24Å; N175-L177 PolarHBondContact O-N 3.48Å; N175-L177 WeakPolarHBondContact OD1-CB 3.34Å; N175-L177 PolarHBondContact OD1-N 2.93Å; N175-D178 WeakPolarHBondContact O-CB 3.48Å; N175-D178 PolarHBondContact O-N 3.31Å
176	P	96.5	Very high	98.2	Very high	29 Å²	29	27.3 Å²	27.3	19%	0.188	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-15.8	-179.1	-26.7	35.2	0	0	0	116.2	K88 W156	K88-P176 PolarHBondContact NZ-O 3.2Å; K88-P176 VanDerWaalsContact NZ-O 3.14Å; W156-P176 HydrophobicContact CH2-CG 4.32Å
177	L	96.2	Very high	98.2	Very high	150 Å²	150	27.5 Å²	27.5	79%	0.785	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-16	177.3	-59.1	178.1	0	0	0	113.6	N175	N175-L177 PolarHBondContact O-N 3.48Å; N175-L177 WeakPolarHBondContact OD1-CB 3.34Å; N175-L177 PolarHBondContact OD1-N 2.93Å
178	D	97.5	Very high	98.2	Very high	41 Å²	41	31.7 Å²	31.7	22%	0.219	16%	0.156	C	C	.	.	S	Bend	trans	-68.8	154.5	178.2	-76	7	0	0	0	111.1	L86 T159 V174 N175 Y180	L86-D178 VanDerWaalsContact CD2-O 3.25Å; L86-D178 WeakPolarHBondContact CD2-O 3.47Å; T159-D178 WeakPolarHBondContact CB-OD2 3.35Å; T159-D178 VanDerWaalsContact CG2-OD2 3.29Å; T159-D178 WeakPolarHBondContact CG2-OD2 3.32Å; T159-D178 PolarHBondContact OG1-OD2 2.87Å; V174-D178 HydrophobicContact CG1-CB 3.94Å; N175-D178 WeakPolarHBondContact O-CB 3.48Å; N175-D178 PolarHBondContact O-N 3.31Å; D178-Y180 HydrophobicContact CB-CD2 3.9Å; D178-Y180 HydrophobicContact CB-CE2 4.42Å; D178-Y180 PolarHBondContact O-N 2.95Å
179	C	97.6	Very high	98.1	Very high	45 Å²	45	32.3 Å²	32.3	30%	0.304	16%	0.163	S	C	.	.	S	Bend	trans	-75.7	53.9	-177.6	57	0	0	0	0	113.8	R78 H79	R78-C179 CarbonylContact C-O 3.5Å; R78-C179 WeakPolarHBondContact CA-O 3.17Å; R78-C179 PolarHBondContact NH2-SG 2.9Å; R78-C179 VanDerWaalsContact NH2-SG 3.45Å; H79-C179 HydrophobicContact CB-CB 4.17Å; H79-C179 PolarHBondContact N-O 3.26Å
180	Y	98.6	Very high	98.1	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.02	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.8	178.1	-70.5	-102	0	0	0	112	A76 R77 R78 T159 P163 L166 V174 D178	A76-Y180 HydrophobicContact CB-CD1 3.99Å; A76-Y180 HydrophobicContact CB-CG 4.39Å; R77-Y180 VanDerWaalsContact C-CD1 3.48Å; R77-Y180 CarbonylContact O-C 3.58Å; R77-Y180 VanDerWaalsContact O-CA 3.29Å; R77-Y180 WeakPolarHBondContact O-CA 3.32Å; R78-Y180 HydrophobicContact CB-CD1 3.98Å; R78-Y180 HydrophobicContact CB-CE1 3.53Å; R78-Y180 WeakPolarHBondContact CD-OH 3.44Å; R78-Y180 HydrophobicContact CG-CD1 4.48Å; R78-Y180 HydrophobicContact CG-CE1 3.95Å; R78-Y180 HydrophobicContact CG-CE2 4.04Å; T159-Y180 HydrophobicContact CG2-CD2 4.47Å; T159-Y180 HydrophobicContact CG2-CE2 3.78Å; P163-Y180 WeakPolarHBondContact CD-OH 3.24Å; P163-Y180 VanDerWaalsContact CG-OH 3.32Å; P163-Y180 WeakPolarHBondContact CG-OH 3.23Å; P163-Y180 VanDerWaalsContact O-CE1 3.23Å; P163-Y180 WeakPolarHBondContact O-CE1 3.46Å; P163-Y180 VanDerWaalsContact O-CZ 3.31Å; P163-Y180 PolarHBondContact O-OH 2.84Å; L166-Y180 HydrophobicContact CD1-CE1 4.31Å; V174-Y180 HydrophobicContact CG1-CD2 4.02Å; V174-Y180 HydrophobicContact CG1-CG 4.13Å; D178-Y180 HydrophobicContact CB-CD2 3.9Å; D178-Y180 HydrophobicContact CB-CE2 4.42Å; D178-Y180 PolarHBondContact O-N 2.95Å
181	N	98.5	Very high	98.1	Very high	18 Å²	18	28.8 Å²	28.8	10%	0.096	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	139.2	165.5	-66.8	-19.9	0	0	0	109.8	A76 R77 H79 Y87 H183	A76-N181 CarbonylContact C-O 3.59Å; A76-N181 VanDerWaalsContact CA-O 3.25Å; A76-N181 WeakPolarHBondContact CA-O 3.22Å; R77-N181 PolarHBondContact N-O 2.86Å; R77-N181 PolarHBondContact O-N 3.13Å; H79-N181 PolarHBondContact NE2-OD1 3.22Å; Y87-N181 PolarHBondContact N-OD1 2.88Å; Y87-N181 CarbonylContact O-C 3.6Å; Y87-N181 WeakPolarHBondContact O-CA 3.26Å; N181-H183 VanDerWaalsContact CB-CE1 3.42Å; N181-H183 WeakPolarHBondContact CB-CE1 3.46Å
182	I	98.7	Very high	98.1	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.8	177.7	-54.5	-59.6	0	0	0	108.9	V74 A76 Y87 D89 K337	V74-I182 HydrophobicContact CG2-CG2 3.61Å; A76-I182 HydrophobicContact CB-CD1 3.5Å; A76-I182 VanDerWaalsContact CB-CD1 3.5Å; Y87-I182 PolarHBondContact O-N 2.81Å; D89-I182 PolarHBondContact N-O 3.48Å; I182-K337 HydrophobicContact CG1-CD 4.25Å
183	H	98.9	Very high	98.1	Very high	7 Å²	7	33.4 Å²	33.4	3%	0.032	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.2	-179.8	-47.7	108.8	0	0	0	111.3	V74 I75 Y87 D89 N181 D207	V74-H183 WeakPolarHBondContact CA-O 3.43Å; V74-H183 WeakPolarHBondContact CG2-O 3.47Å; I75-H183 HydrophobicContact CG2-CB 4.04Å; I75-H183 PolarHBondContact N-O 3.27Å; I75-H183 PolarHBondContact O-N 2.9Å; Y87-H183 AromaticContact CD1-CD2 3.61Å; Y87-H183 AromaticContact CD1-NE2 3.75Å; Y87-H183 AromaticContact CE1-CD2 3.83Å; D89-H183 VanDerWaalsContact OD2-CA 3.24Å; D89-H183 WeakPolarHBondContact OD2-CA 3.43Å; N181-H183 VanDerWaalsContact CB-CE1 3.42Å; N181-H183 WeakPolarHBondContact CB-CE1 3.46Å; H183-D207 IonicContact CG-OD2 2.93Å; H183-D207 IonicContact ND1-OD2 3.01Å
184	W	98.8	Very high	98	Very high	5 Å²	5	32.8 Å²	32.8	2%	0.019	17%	0.169	C	C	.	.			trans	-108.2	101.4	171.6	-68.5	85.7	0	0	0	107.8	T56 H73 V74 D89 W91 L172 I186 N192	T56-W184 HydrophobicContact CG2-CH2 4.08Å; T56-W184 HydrophobicContact CG2-CZ3 3.86Å; H73-W184 VanDerWaalsContact O-CE3 3.28Å; V74-W184 HydrophobicContact CB-CD2 3.84Å; V74-W184 HydrophobicContact CB-CE3 3.75Å; V74-W184 HydrophobicContact CB-CH2 3.88Å; V74-W184 HydrophobicContact CB-CZ2 3.98Å; V74-W184 HydrophobicContact CB-CZ3 3.74Å; V74-W184 HydrophobicContact CG1-CH2 4.02Å; V74-W184 HydrophobicContact CG1-CZ2 4.32Å; V74-W184 HydrophobicContact CG1-CZ3 4.18Å; V74-W184 HydrophobicContact CG2-CD2 3.9Å; V74-W184 HydrophobicContact CG2-CE3 4.34Å; V74-W184 HydrophobicContact CG2-CG 4.29Å; V74-W184 HydrophobicContact CG2-CH2 4.38Å; V74-W184 HydrophobicContact CG2-CZ2 3.96Å; D89-W184 HydrophobicContact CB-CB 4.35Å; D89-W184 HydrophobicContact CB-CG 4.34Å; D89-W184 PolarHBondContact OD2-N 2.77Å; W91-W184 HydrophobicContact CD2-CH2 4.48Å; W91-W184 HydrophobicContact CD2-CZ2 4.05Å; W91-W184 HydrophobicContact CE3-CH2 4.47Å; W91-W184 AromaticContact CE3-CZ2 3.89Å; W91-W184 HydrophobicContact CE3-CZ2 3.89Å; W91-W184 HydrophobicContact CH2-CH2 4.37Å; W91-W184 HydrophobicContact CZ2-CH2 4.39Å; W91-W184 HydrophobicContact CZ3-CH2 4.42Å; W91-W184 HydrophobicContact CZ3-CZ2 4.15Å; L172-W184 HydrophobicContact CD2-CH2 3.9Å; L172-W184 HydrophobicContact CD2-CZ2 3.76Å; W184-I186 PolarHBondContact O-N 2.95Å; W184-N192 WeakPolarHBondContact O-CB 3.37Å; W184-N192 PolarHBondContact O-ND2 3Å
185	P	98.8	Very high	98	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.013	21%	0.206	C	C	.	.	S	Bend	trans	-66.1	-15	-170.3	-25.2	37.2	0	0	0	114.4	H73 N192 V204 D207 I208 I211	H73-P185 WeakPolarHBondContact O-CD 3.07Å; P185-N192 PolarHBondContact O-N 2.81Å; P185-V204 HydrophobicContact CB-CG1 4.08Å; P185-V204 WeakPolarHBondContact O-CG1 3.33Å; P185-D207 HydrophobicContact CB-CB 4.46Å; P185-D207 HydrophobicContact CG-CB 3.78Å; P185-I208 HydrophobicContact CB-CD1 4.16Å; P185-I208 HydrophobicContact CB-CG1 3.56Å; P185-I208 HydrophobicContact CG-CG1 4.33Å; P185-I211 HydrophobicContact CG-CD1 3.67Å
186	I	98.8	Very high	97.8	Very high	14 Å²	14	39.5 Å²	39.5	7%	0.072	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.5	175.2	-58.7	-172.8	0	0	0	109.7	P53 S55 H73 W184 Q190 L191	P53-I186 HydrophobicContact CB-CD1 3.61Å; S55-I186 WeakPolarHBondContact CA-O 3.39Å; S55-I186 VanDerWaalsContact O-O 3.04Å; H73-I186 VanDerWaalsContact CE1-CD1 3.41Å; H73-I186 WeakPolarHBondContact CE1-CD1 3.38Å; W184-I186 PolarHBondContact O-N 2.95Å; I186-Q190 CarbonylContact C-O 3.53Å; I186-Q190 VanDerWaalsContact CA-O 3.27Å; I186-Q190 WeakPolarHBondContact CA-O 3.34Å; I186-Q190 VanDerWaalsContact CG2-O 3.32Å; I186-Q190 WeakPolarHBondContact CG2-O 3.47Å; I186-L191 HydrophobicContact CG1-CD2 4.39Å
187	R	98.4	Very high	97.9	Very high	13 Å²	13	41 Å²	41	5%	0.049	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.2	171.7	-68.8	-76	76.4	175.9	-4.4	109.5	S55 T56 S90 G189 Q190 N192 Q287	S55-R187 PolarHBondContact O-NH2 2.86Å; T56-R187 PolarHBondContact OG1-NH2 3.12Å; S90-R187 PolarHBondContact O-NH1 3.29Å; R187-G189 PolarHBondContact O-N 2.85Å; R187-G189 VanDerWaalsContact O-N 3.15Å; R187-Q190 PolarHBondContact N-O 2.82Å; R187-Q190 PolarHBondContact O-N 2.8Å; R187-Q190 VanDerWaalsContact O-O 3.11Å; R187-N192 HydrophobicContact CB-CB 4.17Å; R187-N192 HydrophobicContact CG-CB 3.76Å; R187-N192 WeakPolarHBondContact CG-ND2 3.38Å; R187-N192 WeakPolarHBondContact CG-OD1 3.29Å; R187-Q287 VanDerWaalsContact NH2-CD 3.33Å
188	R	98	Very high	97.9	Very high	90 Å²	90	34.7 Å²	34.7	34%	0.34	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	41	179	-63.9	174.7	-75.8	-84.4	1.9	113.1	S55 Q190 Q287	S55-R188 PolarHBondContact OG-N 3.27Å; R188-Q190 VanDerWaalsContact C-N 3.31Å; R188-Q190 PolarHBondContact O-N 2.85Å; R188-Q287 HydrophobicContact CB-CB 4.44Å; R188-Q287 HydrophobicContact CG-CB 3.93Å
189	G	96.2	Very high	97.9	Very high	13 Å²	13	32.7 Å²	32.7	13%	0.134	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	7.1	177.4	0	0	0	0	0	116.3	S55 R187 P237	S55-G189 PolarHBondContact OG-N 3Å; R187-G189 PolarHBondContact O-N 2.85Å; R187-G189 VanDerWaalsContact O-N 3.15Å; G189-P237 WeakPolarHBondContact O-CG 3.19Å
190	Q	97.7	Very high	98	Very high	65 Å²	65	33.5 Å²	33.5	30%	0.304	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	162.6	178.4	-61	-64	-24.4	0	0	110.6	I186 R187 R188 N192 I239	I186-Q190 CarbonylContact C-O 3.53Å; I186-Q190 VanDerWaalsContact CA-O 3.27Å; I186-Q190 WeakPolarHBondContact CA-O 3.34Å; I186-Q190 VanDerWaalsContact CG2-O 3.32Å; I186-Q190 WeakPolarHBondContact CG2-O 3.47Å; R187-Q190 PolarHBondContact N-O 2.82Å; R187-Q190 PolarHBondContact O-N 2.8Å; R187-Q190 VanDerWaalsContact O-O 3.11Å; R188-Q190 VanDerWaalsContact C-N 3.31Å; R188-Q190 PolarHBondContact O-N 2.85Å; Q190-N192 PolarHBondContact O-N 2.82Å; Q190-I239 PolarHBondContact NE2-O 2.95Å
191	L	98.6	Very high	97.9	Very high	17 Å²	17	35.1 Å²	35.1	9%	0.089	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	133.2	172.5	-63.7	-168.2	0	0	0	110.3	I186 I193 L201 V204 I208 H244	I186-L191 HydrophobicContact CG1-CD2 4.39Å; L191-I193 VanDerWaalsContact C-N 3.29Å; L191-I193 HydrophobicContact CB-CG1 4.39Å; L191-I193 PolarHBondContact O-N 3.34Å; L191-L201 HydrophobicContact CD1-CD1 3.71Å; L191-V204 HydrophobicContact CB-CG1 4.11Å; L191-V204 HydrophobicContact CD1-CG1 4.47Å; L191-V204 HydrophobicContact CD2-CG1 4.1Å; L191-V204 HydrophobicContact CG-CG1 4.45Å; L191-I208 HydrophobicContact CD2-CD1 3.49Å; L191-I208 VanDerWaalsContact CD2-CD1 3.49Å; L191-H244 HydrophobicContact CD1-CB 3.74Å; L191-H244 HydrophobicContact CG-CB 4.04Å
192	N	98.6	Very high	97.9	Very high	16 Å²	16	39.3 Å²	39.3	9%	0.086	24%	0.236	C	C	.	.			trans	-81.5	74.1	-175.5	-172.9	27.5	0	0	0	111.3	D89 W184 P185 R187 Q190 H194 V204	D89-N192 PolarHBondContact OD1-ND2 3.13Å; D89-N192 PolarHBondContact OD2-ND2 3.06Å; W184-N192 WeakPolarHBondContact O-CB 3.37Å; W184-N192 PolarHBondContact O-ND2 3Å; P185-N192 PolarHBondContact O-N 2.81Å; R187-N192 HydrophobicContact CB-CB 4.17Å; R187-N192 HydrophobicContact CG-CB 3.76Å; R187-N192 WeakPolarHBondContact CG-ND2 3.38Å; R187-N192 WeakPolarHBondContact CG-OD1 3.29Å; Q190-N192 PolarHBondContact O-N 2.82Å; N192-H194 PolarHBondContact O-CD2 3.14Å; N192-V204 WeakPolarHBondContact O-CG2 3.35Å
193	I	98.2	Very high	97.9	Very high	85 Å²	85	40.4 Å²	40.4	44%	0.436	25%	0.245	S	C	.	.			trans	-86.1	126.1	176.3	-59.2	-180	0	0	0	109.2	L191 G199 L201	L191-I193 VanDerWaalsContact C-N 3.29Å; L191-I193 HydrophobicContact CB-CG1 4.39Å; L191-I193 PolarHBondContact O-N 3.34Å; I193-G199 VanDerWaalsContact CA-O 3.24Å; I193-G199 WeakPolarHBondContact CA-O 3.33Å; I193-G199 WeakPolarHBondContact CG2-O 3.4Å; I193-L201 HydrophobicContact CD1-CB 4.26Å; I193-L201 HydrophobicContact CD1-CD1 4.21Å
194	H	97.6	Very high	97.9	Very high	36 Å²	36	40.1 Å²	40.1	17%	0.167	24%	0.244	C	C	.	.			trans	-155.6	165	179.9	62.1	78.8	0	0	0	111.9	Y87 D89 N192 P197 G199	Y87-H194 AromaticContact CE1-CE1 3.77Å; Y87-H194 AromaticContact CE2-CE1 3.99Å; Y87-H194 AromaticContact CZ-CE1 3.28Å; Y87-H194 AromaticContact CZ-ND1 3.84Å; Y87-H194 AromaticContact CZ-NE2 3.9Å; Y87-H194 PolarHBondContact OH-CE1 3.35Å; Y87-H194 PolarHBondContact OH-ND1 3.22Å; Y87-H194 PolarHBondContact OH-NE2 3.4Å; D89-H194 IonicContact OD1-CD2 3.8Å; D89-H194 IonicContact OD1-NE2 3.25Å; N192-H194 PolarHBondContact O-CD2 3.14Å; H194-P197 PolarHBondContact CE1-O 3.29Å; H194-G199 VanDerWaalsContact CE1-CA 3.43Å; H194-G199 WeakPolarHBondContact CE1-CA 3.42Å; H194-G199 PolarHBondContact N-O 3.02Å; H194-G199 WeakPolarHBondContact NE2-CA 3.44Å; H194-G199 CarbonylContact O-C 3.48Å; H194-G199 VanDerWaalsContact O-C 3.31Å; H194-G199 VanDerWaalsContact O-CA 3.24Å; H194-G199 WeakPolarHBondContact O-CA 3.32Å
195	P	96.9	Very high	97.9	Very high	120 Å²	120	40.8 Å²	40.8	78%	0.779	25%	0.248	S	C	*	.	S	Bend	trans	-64.9	145.9	170.8	-19.9	33.2	0	0	0	111.9
196	G	95.7	Very high	97.9	Very high	54 Å²	54	42.6 Å²	42.6	56%	0.557	26%	0.263	S	S	*	.	S	Bend	trans	98	-170	175.3	0	0	0	0	0	114.6	G199	G196-G199 PolarHBondContact O-N 3.2Å
197	P	97.3	Very high	97.9	Very high	61 Å²	61	42.1 Å²	42.1	40%	0.396	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	138.2	-174	28.6	-35	0	0	0	111.2	Y87 H194 G199	Y87-P197 HydrophobicContact CD1-CG 4.44Å; Y87-P197 HydrophobicContact CD2-CG 3.82Å; Y87-P197 HydrophobicContact CG-CG 3.71Å; H194-P197 PolarHBondContact CE1-O 3.29Å; P197-G199 PolarHBondContact O-N 2.9Å
198	G	96.9	Very high	97.9	Very high	17 Å²	17	41.5 Å²	41.5	18%	0.175	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-18.9	179.7	0	0	0	0	0	115.1	A203 V204	G198-A203 WeakPolarHBondContact O-CB 3.19Å; G198-V204 WeakPolarHBondContact O-CG2 3.49Å
199	G	97.5	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	26%	0.255	C	S	.	.			trans	-88.3	-3.9	-169.2	0	0	0	0	0	116.8	I193 H194 G196 P197	I193-G199 VanDerWaalsContact CA-O 3.24Å; I193-G199 WeakPolarHBondContact CA-O 3.33Å; I193-G199 WeakPolarHBondContact CG2-O 3.4Å; H194-G199 VanDerWaalsContact CE1-CA 3.43Å; H194-G199 WeakPolarHBondContact CE1-CA 3.42Å; H194-G199 PolarHBondContact N-O 3.02Å; H194-G199 WeakPolarHBondContact NE2-CA 3.44Å; H194-G199 CarbonylContact O-C 3.48Å; H194-G199 VanDerWaalsContact O-C 3.31Å; H194-G199 VanDerWaalsContact O-CA 3.24Å; H194-G199 WeakPolarHBondContact O-CA 3.32Å; G196-G199 PolarHBondContact O-N 3.2Å; P197-G199 PolarHBondContact O-N 2.9Å
200	S	98.4	Very high	98.1	Very high	61 Å²	61	40.7 Å²	40.7	43%	0.427	26%	0.257	S	S	.	.	S	Bend	trans	-74.6	149	171.2	63.4	0	0	0	0	111.1	T202 A203 V204	S200-T202 VanDerWaalsContact C-N 3.26Å; S200-T202 PolarHBondContact O-N 2.96Å; S200-T202 VanDerWaalsContact O-N 3.15Å; S200-T202 PolarHBondContact OG-OG1 3.49Å; S200-A203 PolarHBondContact O-N 3.01Å; S200-A203 VanDerWaalsContact OG-CB 3.23Å; S200-A203 WeakPolarHBondContact OG-CB 3.36Å; S200-A203 PolarHBondContact OG-N 3.39Å; S200-V204 WeakPolarHBondContact O-CG2 3.43Å; S200-V204 PolarHBondContact O-N 3.17Å
201	L	97.9	Very high	98.2	Very high	39 Å²	39	37.6 Å²	37.6	20%	0.204	24%	0.242	C	C	.	.	H	α-helix	trans	-50	-43.8	178.8	177.4	59.7	0	0	0	113.3	L191 I193 V204 L205 E247	L191-L201 HydrophobicContact CD1-CD1 3.71Å; I193-L201 HydrophobicContact CD1-CB 4.26Å; I193-L201 HydrophobicContact CD1-CD1 4.21Å; L201-V204 PolarHBondContact O-N 2.78Å; L201-L205 HydrophobicContact CD1-CD1 3.9Å; L201-L205 HydrophobicContact CD1-CG 4.18Å; L201-L205 HydrophobicContact CG-CD1 3.91Å; L201-L205 WeakPolarHBondContact O-CB 3.39Å; L201-L205 WeakPolarHBondContact O-CD1 3.24Å; L201-L205 VanDerWaalsContact O-CG 3.29Å; L201-L205 WeakPolarHBondContact O-CG 3.43Å; L201-L205 PolarHBondContact O-N 3.25Å; L201-E247 HydrophobicContact CD2-CG 4.23Å
202	T	98.1	Very high	98.2	Very high	107 Å²	107	36.8 Å²	36.8	66%	0.656	24%	0.238	S	C	*	.	H	α-helix	trans	-65.3	-40.7	178.9	50.6	0	0	0	0	112.8	S200 L205 A206	S200-T202 VanDerWaalsContact C-N 3.26Å; S200-T202 PolarHBondContact O-N 2.96Å; S200-T202 VanDerWaalsContact O-N 3.15Å; S200-T202 PolarHBondContact OG-OG1 3.49Å; T202-L205 PolarHBondContact O-N 3.33Å; T202-A206 WeakPolarHBondContact O-CB 3.24Å; T202-A206 PolarHBondContact O-N 2.66Å
203	A	98.6	Very high	98.2	Very high	26 Å²	26	36.6 Å²	36.6	22%	0.215	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-43.8	175.6	0	0	0	0	0	111.6	G198 S200 L205 A206 D207	G198-A203 WeakPolarHBondContact O-CB 3.19Å; S200-A203 PolarHBondContact O-N 3.01Å; S200-A203 VanDerWaalsContact OG-CB 3.23Å; S200-A203 WeakPolarHBondContact OG-CB 3.36Å; S200-A203 PolarHBondContact OG-N 3.39Å; A203-L205 VanDerWaalsContact C-N 3.35Å; A203-L205 PolarHBondContact O-N 2.99Å; A203-A206 PolarHBondContact O-N 3.48Å; A203-D207 PolarHBondContact O-N 3.44Å
204	V	98.8	Very high	98.2	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-58.9	-46.5	175.2	175.2	0	0	0	0	110.9	P185 L191 N192 G198 S200 L201 D207 I208	P185-V204 HydrophobicContact CB-CG1 4.08Å; P185-V204 WeakPolarHBondContact O-CG1 3.33Å; L191-V204 HydrophobicContact CB-CG1 4.11Å; L191-V204 HydrophobicContact CD1-CG1 4.47Å; L191-V204 HydrophobicContact CD2-CG1 4.1Å; L191-V204 HydrophobicContact CG-CG1 4.45Å; N192-V204 WeakPolarHBondContact O-CG2 3.35Å; G198-V204 WeakPolarHBondContact O-CG2 3.49Å; S200-V204 WeakPolarHBondContact O-CG2 3.43Å; S200-V204 PolarHBondContact O-N 3.17Å; L201-V204 PolarHBondContact O-N 2.78Å; V204-D207 PolarHBondContact O-N 3.09Å; V204-I208 HydrophobicContact CG1-CD1 4.13Å; V204-I208 WeakPolarHBondContact O-CG1 3.23Å; V204-I208 PolarHBondContact O-N 2.69Å
205	L	98.8	Very high	98.3	Very high	19 Å²	19	32.5 Å²	32.5	10%	0.099	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-40.2	177.7	-71.6	163.5	0	0	0	112.3	L201 T202 A203 D207 I208 E209 E247 L248	L201-L205 HydrophobicContact CD1-CD1 3.9Å; L201-L205 HydrophobicContact CD1-CG 4.18Å; L201-L205 HydrophobicContact CG-CD1 3.91Å; L201-L205 WeakPolarHBondContact O-CB 3.39Å; L201-L205 WeakPolarHBondContact O-CD1 3.24Å; L201-L205 VanDerWaalsContact O-CG 3.29Å; L201-L205 WeakPolarHBondContact O-CG 3.43Å; L201-L205 PolarHBondContact O-N 3.25Å; T202-L205 PolarHBondContact O-N 3.33Å; A203-L205 VanDerWaalsContact C-N 3.35Å; A203-L205 PolarHBondContact O-N 2.99Å; L205-D207 VanDerWaalsContact C-N 3.31Å; L205-D207 PolarHBondContact O-N 2.98Å; L205-I208 PolarHBondContact O-N 3.03Å; L205-E209 WeakPolarHBondContact O-CB 3.4Å; L205-E209 PolarHBondContact O-N 3.06Å; L205-E247 HydrophobicContact CD1-CB 3.61Å; L205-E247 HydrophobicContact CD1-CG 3.99Å; L205-E247 HydrophobicContact CD2-CB 3.88Å; L205-E247 HydrophobicContact CG-CB 4.38Å; L205-L248 HydrophobicContact CD2-CD2 3.98Å; L205-L248 HydrophobicContact CD2-CG 4.43Å
206	A	98.8	Very high	98.4	Very high	39 Å²	39	26.8 Å²	26.8	32%	0.322	18%	0.18	S	C	.	.	H	α-helix	trans	-64.1	-36.5	175.4	0	0	0	0	0	112.1	T202 A203 V210	T202-A206 WeakPolarHBondContact O-CB 3.24Å; T202-A206 PolarHBondContact O-N 2.66Å; A203-A206 PolarHBondContact O-N 3.48Å; A206-V210 VanDerWaalsContact O-CG2 3.31Å; A206-V210 WeakPolarHBondContact O-CG2 3.32Å; A206-V210 PolarHBondContact O-N 3.36Å
207	D	98.9	Very high	98.5	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-67.9	-41.9	175.1	-74.3	4.6	0	0	0	111.5	I75 R77 H183 P185 A203 V204 L205 V210 I211	I75-D207 HydrophobicContact CG2-CB 3.89Å; I75-D207 WeakPolarHBondContact CG2-OD2 3.34Å; R77-D207 IonicContact CZ-OD1 2.62Å; R77-D207 IonicContact NE-OD1 3.09Å; R77-D207 PolarHBondContact NE-OD1 2.9Å; R77-D207 IonicContact NH2-OD1 2.59Å; R77-D207 PolarHBondContact NH2-OD1 3.12Å; H183-D207 IonicContact CG-OD2 2.93Å; H183-D207 IonicContact ND1-OD2 3.01Å; P185-D207 HydrophobicContact CB-CB 4.46Å; P185-D207 HydrophobicContact CG-CB 3.78Å; A203-D207 PolarHBondContact O-N 3.44Å; V204-D207 PolarHBondContact O-N 3.09Å; L205-D207 VanDerWaalsContact C-N 3.31Å; L205-D207 PolarHBondContact O-N 2.98Å; D207-V210 PolarHBondContact O-N 3.26Å; D207-I211 WeakPolarHBondContact O-CG1 3.49Å; D207-I211 PolarHBondContact O-N 3.39Å
208	I	98.9	Very high	98.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.8	-49.2	173.4	-71.2	178.4	0	0	0	110.8	P185 L191 V204 L205 V210 I211 W212 L248 M251	P185-I208 HydrophobicContact CB-CD1 4.16Å; P185-I208 HydrophobicContact CB-CG1 3.56Å; P185-I208 HydrophobicContact CG-CG1 4.33Å; L191-I208 HydrophobicContact CD2-CD1 3.49Å; L191-I208 VanDerWaalsContact CD2-CD1 3.49Å; V204-I208 HydrophobicContact CG1-CD1 4.13Å; V204-I208 WeakPolarHBondContact O-CG1 3.23Å; V204-I208 PolarHBondContact O-N 2.69Å; L205-I208 PolarHBondContact O-N 3.03Å; I208-V210 VanDerWaalsContact C-N 3.31Å; I208-V210 PolarHBondContact O-N 3.36Å; I208-I211 PolarHBondContact O-N 3.21Å; I208-W212 HydrophobicContact CG2-CD2 3.6Å; I208-W212 HydrophobicContact CG2-CE3 3.93Å; I208-W212 HydrophobicContact CG2-CG 4.16Å; I208-W212 HydrophobicContact CG2-CH2 3.8Å; I208-W212 HydrophobicContact CG2-CZ2 3.44Å; I208-W212 VanDerWaalsContact CG2-CZ2 3.44Å; I208-W212 HydrophobicContact CG2-CZ3 4.02Å; I208-W212 WeakPolarHBondContact O-CB 3.49Å; I208-W212 VanDerWaalsContact O-CG 3.28Å; I208-W212 PolarHBondContact O-N 2.9Å; I208-L248 HydrophobicContact CD1-CD2 4.05Å; I208-L248 HydrophobicContact CG2-CD2 4.08Å; I208-M251 HydrophobicContact CB-SD 4.3Å; I208-M251 HydrophobicContact CG2-CE 3.73Å; I208-M251 HydrophobicContact CG2-SD 3.87Å
209	E	98.9	Very high	98.6	Very high	57 Å²	57	34.1 Å²	34.1	27%	0.266	19%	0.185	S	C	.	.	H	α-helix	trans	-56.1	-45.7	178.7	-174.6	177.9	165.9	0	0	111.3	L205 S213 M251 M256	L205-E209 WeakPolarHBondContact O-CB 3.4Å; L205-E209 PolarHBondContact O-N 3.06Å; E209-S213 WeakPolarHBondContact O-CB 3.35Å; E209-S213 PolarHBondContact O-N 3.5Å; E209-S213 PolarHBondContact O-OG 3.29Å; E209-M251 HydrophobicContact CB-CG 4.17Å; E209-M251 HydrophobicContact CB-SD 3.82Å; E209-M251 HydrophobicContact CG-CG 4.4Å; E209-M256 HydrophobicContact CG-CG 4.12Å
210	V	98.9	Very high	98.6	Very high	30 Å²	30	34.7 Å²	34.7	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-47.5	178.3	169.4	0	0	0	0	111.6	I75 Y165 V167 A206 D207 I208 W212 H214	I75-V210 HydrophobicContact CD1-CB 4.07Å; I75-V210 HydrophobicContact CD1-CG1 3.64Å; Y165-V210 HydrophobicContact CD1-CG1 4.36Å; Y165-V210 HydrophobicContact CD2-CG1 3.55Å; Y165-V210 HydrophobicContact CE1-CG1 4.23Å; Y165-V210 HydrophobicContact CE2-CG1 3.39Å; Y165-V210 HydrophobicContact CG-CG1 4.05Å; V167-V210 HydrophobicContact CG2-CG1 4.08Å; A206-V210 VanDerWaalsContact O-CG2 3.31Å; A206-V210 WeakPolarHBondContact O-CG2 3.32Å; A206-V210 PolarHBondContact O-N 3.36Å; D207-V210 PolarHBondContact O-N 3.26Å; I208-V210 VanDerWaalsContact C-N 3.31Å; I208-V210 PolarHBondContact O-N 3.36Å; V210-W212 PolarHBondContact O-N 3.17Å; V210-H214 VanDerWaalsContact O-CB 3.24Å; V210-H214 WeakPolarHBondContact O-CB 3.45Å; V210-H214 PolarHBondContact O-N 2.72Å
211	I	98.9	Very high	98.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-44.8	-178.8	-64.7	165.7	0	0	0	110.7	L58 I75 V167 P185 D207 I208 H214 A215	L58-I211 HydrophobicContact CD2-CG2 4.19Å; I75-I211 HydrophobicContact CB-CD1 3.95Å; I75-I211 HydrophobicContact CB-CG1 3.96Å; I75-I211 HydrophobicContact CG2-CD1 4.19Å; V167-I211 HydrophobicContact CG1-CB 4.15Å; V167-I211 HydrophobicContact CG1-CG1 4.07Å; V167-I211 HydrophobicContact CG1-CG2 3.79Å; V167-I211 HydrophobicContact CG2-CG1 4.33Å; P185-I211 HydrophobicContact CG-CD1 3.67Å; D207-I211 WeakPolarHBondContact O-CG1 3.49Å; D207-I211 PolarHBondContact O-N 3.39Å; I208-I211 PolarHBondContact O-N 3.21Å; I211-H214 PolarHBondContact O-N 3.08Å; I211-A215 WeakPolarHBondContact O-CB 3.22Å; I211-A215 PolarHBondContact O-N 3.16Å
212	W	98.9	Very high	98.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70.8	-41.4	-176.7	-66.7	11	0	0	0	111.3	I51 P53 L58 H73 I208 V210 A215 I216 L234 L248 M251 I252 M256	I51-W212 HydrophobicContact CD1-CE3 3.98Å; I51-W212 HydrophobicContact CD1-CZ3 4.29Å; I51-W212 HydrophobicContact CG2-CD2 4.16Å; I51-W212 HydrophobicContact CG2-CE3 4.18Å; I51-W212 HydrophobicContact CG2-CH2 4.15Å; I51-W212 HydrophobicContact CG2-CZ2 4.13Å; I51-W212 HydrophobicContact CG2-CZ3 4.18Å; P53-W212 HydrophobicContact CB-CZ2 4.01Å; P53-W212 HydrophobicContact CG-CH2 3.9Å; P53-W212 HydrophobicContact CG-CZ2 3.47Å; P53-W212 VanDerWaalsContact CG-CZ2 3.47Å; L58-W212 HydrophobicContact CD2-CG 4.22Å; H73-W212 AromaticContact CE1-NE1 3.9Å; H73-W212 AromaticContact NE2-NE1 3.27Å; H73-W212 PolarHBondContact NE2-NE1 3.07Å; I208-W212 HydrophobicContact CG2-CD2 3.6Å; I208-W212 HydrophobicContact CG2-CE3 3.93Å; I208-W212 HydrophobicContact CG2-CG 4.16Å; I208-W212 HydrophobicContact CG2-CH2 3.8Å; I208-W212 HydrophobicContact CG2-CZ2 3.44Å; I208-W212 VanDerWaalsContact CG2-CZ2 3.44Å; I208-W212 HydrophobicContact CG2-CZ3 4.02Å; I208-W212 WeakPolarHBondContact O-CB 3.49Å; I208-W212 VanDerWaalsContact O-CG 3.28Å; I208-W212 PolarHBondContact O-N 2.9Å; V210-W212 PolarHBondContact O-N 3.17Å; W212-A215 PolarHBondContact O-N 2.7Å; W212-I216 VanDerWaalsContact O-CG1 3.26Å; W212-I216 WeakPolarHBondContact O-CG1 3.24Å; W212-I216 PolarHBondContact O-N 3.3Å; W212-L234 HydrophobicContact CH2-CD1 3.9Å; W212-L234 HydrophobicContact CZ3-CD1 4.33Å; W212-L248 HydrophobicContact CH2-CD2 3.94Å; W212-L248 HydrophobicContact CZ3-CD2 4.44Å; W212-M251 HydrophobicContact CD2-CE 4.42Å; W212-M251 HydrophobicContact CE3-CE 3.52Å; W212-M251 HydrophobicContact CH2-CE 4.22Å; W212-M251 HydrophobicContact CZ3-CE 3.38Å; W212-I252 HydrophobicContact CZ3-CD1 3.97Å; W212-I252 HydrophobicContact CZ3-CG1 4.15Å; W212-M256 HydrophobicContact CB-CE 3.99Å; W212-M256 HydrophobicContact CE3-SD 4.37Å
213	S	98.9	Very high	98.7	Very high	12 Å²	12	35.5 Å²	35.5	8%	0.084	18%	0.181	C	C	.	.	H	α-helix	trans	-61.4	-45.6	174.6	-61	0	0	0	0	111.6	E209 A215 I216 Q217	E209-S213 WeakPolarHBondContact O-CB 3.35Å; E209-S213 PolarHBondContact O-N 3.5Å; E209-S213 PolarHBondContact O-OG 3.29Å; S213-A215 VanDerWaalsContact C-N 3.29Å; S213-A215 PolarHBondContact O-N 2.98Å; S213-I216 PolarHBondContact O-N 2.62Å; S213-Q217 WeakPolarHBondContact O-CG 3.26Å; S213-Q217 PolarHBondContact O-N 3.27Å; S213-Q217 PolarHBondContact O-OE1 3.39Å
214	H	98.8	Very high	98.7	Very high	35 Å²	35	37.1 Å²	37.1	16%	0.162	19%	0.186	C	C	.	.	H	α-helix	trans	-58	-43.8	173.8	178.3	88	0	0	0	111.4	V167 V210 I211 Q217 K218	V167-H214 HydrophobicContact CB-CB 4.29Å; V167-H214 HydrophobicContact CG1-CB 4.17Å; V167-H214 HydrophobicContact CG2-CB 4.06Å; V210-H214 VanDerWaalsContact O-CB 3.24Å; V210-H214 WeakPolarHBondContact O-CB 3.45Å; V210-H214 PolarHBondContact O-N 2.72Å; I211-H214 PolarHBondContact O-N 3.08Å; H214-Q217 PolarHBondContact O-N 2.87Å; H214-K218 VanDerWaalsContact NE2-CD 3.26Å; H214-K218 WeakPolarHBondContact NE2-CD 3.43Å; H214-K218 VanDerWaalsContact O-CB 3.22Å; H214-K218 WeakPolarHBondContact O-CB 3.22Å; H214-K218 PolarHBondContact O-N 3.14Å
215	A	98.8	Very high	98.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-43.2	-179.4	0	0	0	0	0	112.3	L58 I60 I71 I211 W212 S213 Y219	L58-A215 HydrophobicContact CD2-CB 4.22Å; I60-A215 HydrophobicContact CG2-CB 3.93Å; I71-A215 HydrophobicContact CD1-CB 3.93Å; I71-A215 HydrophobicContact CG1-CB 4.31Å; I211-A215 WeakPolarHBondContact O-CB 3.22Å; I211-A215 PolarHBondContact O-N 3.16Å; W212-A215 PolarHBondContact O-N 2.7Å; S213-A215 VanDerWaalsContact C-N 3.29Å; S213-A215 PolarHBondContact O-N 2.98Å; A215-Y219 HydrophobicContact CB-CD2 4.39Å; A215-Y219 WeakPolarHBondContact O-CB 3.46Å; A215-Y219 PolarHBondContact O-N 2.81Å
216	I	98.9	Very high	98.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-46.8	177	-70.6	165.1	0	0	0	111	I60 W212 S213 L220 E221 I222 L224 L227 M256 F258	I60-I216 HydrophobicContact CD1-CD1 4.23Å; I60-I216 HydrophobicContact CD1-CG1 3.71Å; W212-I216 VanDerWaalsContact O-CG1 3.26Å; W212-I216 WeakPolarHBondContact O-CG1 3.24Å; W212-I216 PolarHBondContact O-N 3.3Å; S213-I216 PolarHBondContact O-N 2.62Å; I216-L220 HydrophobicContact CG1-CD1 4.45Å; I216-L220 CarbonylContact O-C 3.49Å; I216-L220 WeakPolarHBondContact O-CA 3.19Å; I216-L220 WeakPolarHBondContact O-CB 3.33Å; I216-L220 PolarHBondContact O-N 3.38Å; I216-E221 PolarHBondContact O-N 3.43Å; I216-I222 HydrophobicContact CG2-CB 3.72Å; I216-I222 HydrophobicContact CG2-CG2 4.11Å; I216-I222 PolarHBondContact O-N 2.97Å; I216-L224 HydrophobicContact CG2-CD2 4.41Å; I216-L227 HydrophobicContact CD1-CD1 4.48Å; I216-L227 HydrophobicContact CD1-CD2 4.44Å; I216-L227 HydrophobicContact CG2-CD2 4.09Å; I216-M256 HydrophobicContact CD1-CE 3.64Å; I216-F258 HydrophobicContact CD1-CE2 4.1Å; I216-F258 HydrophobicContact CD1-CZ 3.89Å
217	Q	98.6	Very high	98.7	Very high	96 Å²	96	44.2 Å²	44.2	45%	0.449	21%	0.211	S	C	.	.	H	α-helix	trans	-70.7	-43.9	-178	-67.5	176.1	-78.1	0	0	112.5	S213 H214 E221 L224	S213-Q217 WeakPolarHBondContact O-CG 3.26Å; S213-Q217 PolarHBondContact O-N 3.27Å; S213-Q217 PolarHBondContact O-OE1 3.39Å; H214-Q217 PolarHBondContact O-N 2.87Å; Q217-E221 WeakPolarHBondContact O-CA 3.33Å; Q217-L224 VanDerWaalsContact CD-CG 3.47Å; Q217-L224 HydrophobicContact CG-CD1 4.42Å; Q217-L224 HydrophobicContact CG-CD2 3.72Å; Q217-L224 HydrophobicContact CG-CG 3.71Å
218	K	98.3	Very high	98.6	Very high	89 Å²	89	49.7 Å²	49.7	39%	0.387	23%	0.234	S	C	.	.	H	α-helix	trans	-82.1	-38.6	-171.6	-174.5	173.5	-178	177.1	0	113.3	E170 H214	E170-K218 IonicContact OE1-NZ 3.53Å; E170-K218 PolarHBondContact OE1-NZ 2.81Å; H214-K218 VanDerWaalsContact NE2-CD 3.26Å; H214-K218 WeakPolarHBondContact NE2-CD 3.43Å; H214-K218 VanDerWaalsContact O-CB 3.22Å; H214-K218 WeakPolarHBondContact O-CB 3.22Å; H214-K218 PolarHBondContact O-N 3.14Å
219	Y	98.2	Very high	98.6	Very high	100 Å²	100	56.2 Å²	56.2	39%	0.392	26%	0.26	S	S	.	.	H	α-helix	trans	-107.4	-26.9	-172.2	-58.8	-88.2	0	0	0	113.5	A69 I71 A215	A69-Y219 HydrophobicContact CB-CD1 4.5Å; A69-Y219 HydrophobicContact CB-CG 4.19Å; I71-Y219 HydrophobicContact CD1-CD2 4.38Å; I71-Y219 HydrophobicContact CG1-CD2 4.03Å; I71-Y219 HydrophobicContact CG1-CE2 3.74Å; A215-Y219 HydrophobicContact CB-CD2 4.39Å; A215-Y219 WeakPolarHBondContact O-CB 3.46Å; A215-Y219 PolarHBondContact O-N 2.81Å
220	L	98.2	Very high	98.6	Very high	13 Å²	13	54.4 Å²	54.4	7%	0.068	25%	0.251	C	S	.	.	S	Bend	trans	-101.7	-7.1	176.6	-47.9	-173.8	0	0	0	112.8	I49 I60 R62 I216 I222	I49-L220 HydrophobicContact CD1-CD1 4.03Å; I49-L220 HydrophobicContact CG2-CD1 4.24Å; I60-L220 HydrophobicContact CG1-CD1 4.24Å; R62-L220 PolarHBondContact NH2-O 2.81Å; I216-L220 HydrophobicContact CG1-CD1 4.45Å; I216-L220 CarbonylContact O-C 3.49Å; I216-L220 WeakPolarHBondContact O-CA 3.19Å; I216-L220 WeakPolarHBondContact O-CB 3.33Å; I216-L220 PolarHBondContact O-N 3.38Å; L220-I222 HydrophobicContact CB-CD1 3.88Å; L220-I222 HydrophobicContact CB-CG1 4.19Å; L220-I222 HydrophobicContact CD1-CD1 4.41Å; L220-I222 WeakPolarHBondContact O-CG1 3.19Å; L220-I222 PolarHBondContact O-N 2.85Å
221	E	98.6	Very high	98.6	Very high	165 Å²	165	55.1 Å²	55.1	77%	0.771	25%	0.25	S	S	*	.			trans	56.7	34.6	179.1	-57.1	-178.5	169.7	0	0	112.7	I216 Q217	I216-E221 PolarHBondContact O-N 3.43Å; Q217-E221 WeakPolarHBondContact O-CA 3.33Å
222	I	98.6	Very high	98.6	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.015	25%	0.25	C	S	.	.			trans	-102.8	117.8	179.1	-62.1	163	0	0	0	109.3	I49 R62 I216 L220 L224 L227 Y230	I49-I222 HydrophobicContact CD1-CD1 3.68Å; I49-I222 HydrophobicContact CG1-CD1 4.49Å; R62-I222 VanDerWaalsContact NH2-CG1 3.26Å; I216-I222 HydrophobicContact CG2-CB 3.72Å; I216-I222 HydrophobicContact CG2-CG2 4.11Å; I216-I222 PolarHBondContact O-N 2.97Å; L220-I222 HydrophobicContact CB-CD1 3.88Å; L220-I222 HydrophobicContact CB-CG1 4.19Å; L220-I222 HydrophobicContact CD1-CD1 4.41Å; L220-I222 WeakPolarHBondContact O-CG1 3.19Å; L220-I222 PolarHBondContact O-N 2.85Å; I222-L224 PolarHBondContact O-N 2.92Å; I222-L227 HydrophobicContact CG2-CD2 4.09Å; I222-Y230 HydrophobicContact CD1-CD1 4.26Å; I222-Y230 HydrophobicContact CD1-CE1 3.59Å; I222-Y230 HydrophobicContact CD1-CE2 4.28Å; I222-Y230 HydrophobicContact CG1-CE1 4.41Å; I222-Y230 HydrophobicContact CG1-CE2 4.4Å; I222-Y230 HydrophobicContact CG2-CD2 4.22Å; I222-Y230 HydrophobicContact CG2-CE2 3.75Å
223	P	98.6	Very high	98.6	Very high	56 Å²	56	55.1 Å²	55.1	36%	0.364	25%	0.25	S	S	.	.			trans	-62.3	135.7	170.7	-21.6	33.8	0	0	0	111.3	K225 D226	P223-K225 HydrophobicContact CB-CG 3.97Å; P223-K225 PolarHBondContact O-N 2.82Å; P223-K225 VanDerWaalsContact O-N 3.13Å; P223-D226 WeakPolarHBondContact CB-OD2 3.5Å; P223-D226 WeakPolarHBondContact CG-OD2 3.5Å; P223-D226 WeakPolarHBondContact O-CB 3.41Å; P223-D226 PolarHBondContact O-N 2.92Å
224	L	98.4	Very high	98.6	Very high	59 Å²	59	54.6 Å²	54.6	31%	0.309	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-58.6	-32.9	-177	-59.6	179.1	0	0	0	113.4	I216 Q217 I222 D226 L227	I216-L224 HydrophobicContact CG2-CD2 4.41Å; Q217-L224 VanDerWaalsContact CD-CG 3.47Å; Q217-L224 HydrophobicContact CG-CD1 4.42Å; Q217-L224 HydrophobicContact CG-CD2 3.72Å; Q217-L224 HydrophobicContact CG-CG 3.71Å; I222-L224 PolarHBondContact O-N 2.92Å; L224-D226 PolarHBondContact O-N 3.24Å; L224-D226 VanDerWaalsContact O-N 3.12Å; L224-L227 HydrophobicContact CB-CD1 4.47Å; L224-L227 HydrophobicContact CD2-CD1 3.93Å; L224-L227 WeakPolarHBondContact O-CB 3.29Å; L224-L227 WeakPolarHBondContact O-CG 3.44Å; L224-L227 PolarHBondContact O-N 3.26Å; L224-L227 VanDerWaalsContact O-N 3.12Å
225	K	98.1	Very high	98.6	Very high	163 Å²	163	53.1 Å²	53.1	71%	0.709	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-60	-20.4	175.6	63.5	174.5	-175.1	-179.9	0	113.8	P223 K228	P223-K225 HydrophobicContact CB-CG 3.97Å; P223-K225 PolarHBondContact O-N 2.82Å; P223-K225 VanDerWaalsContact O-N 3.13Å; K225-K228 WeakPolarHBondContact O-CE 3.48Å
226	D	98.6	Very high	98.6	Very high	45 Å²	45	53.3 Å²	53.3	24%	0.241	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-95.6	-4.1	-177.1	-62.1	-31.3	0	0	0	112.1	P223 L224 K228 Y229 Y230	P223-D226 WeakPolarHBondContact CB-OD2 3.5Å; P223-D226 WeakPolarHBondContact CG-OD2 3.5Å; P223-D226 WeakPolarHBondContact O-CB 3.41Å; P223-D226 PolarHBondContact O-N 2.92Å; L224-D226 PolarHBondContact O-N 3.24Å; L224-D226 VanDerWaalsContact O-N 3.12Å; D226-K228 PolarHBondContact O-N 3.33Å; D226-Y229 HydrophobicContact CB-CD2 3.97Å; D226-Y229 HydrophobicContact CB-CE2 4.25Å; D226-Y229 WeakPolarHBondContact O-CB 3.47Å; D226-Y229 VanDerWaalsContact O-CD2 3.28Å; D226-Y229 WeakPolarHBondContact O-CD2 3.29Å; D226-Y229 PolarHBondContact O-N 3.5Å; D226-Y230 WeakPolarHBondContact O-CD2 3.36Å
227	L	98.7	Very high	98.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-58.6	-21.4	176.9	-70.9	-179.5	0	0	0	113.8	I216 I222 L224 Y229 Y230 M256 G257 F258	I216-L227 HydrophobicContact CD1-CD1 4.48Å; I216-L227 HydrophobicContact CD1-CD2 4.44Å; I216-L227 HydrophobicContact CG2-CD2 4.09Å; I222-L227 HydrophobicContact CG2-CD2 4.09Å; L224-L227 HydrophobicContact CB-CD1 4.47Å; L224-L227 HydrophobicContact CD2-CD1 3.93Å; L224-L227 WeakPolarHBondContact O-CB 3.29Å; L224-L227 WeakPolarHBondContact O-CG 3.44Å; L224-L227 PolarHBondContact O-N 3.26Å; L224-L227 VanDerWaalsContact O-N 3.12Å; L227-Y229 PolarHBondContact O-N 3.43Å; L227-Y229 VanDerWaalsContact O-N 3.16Å; L227-Y230 WeakPolarHBondContact O-CA 3.38Å; L227-Y230 PolarHBondContact O-N 3.09Å; L227-Y230 VanDerWaalsContact O-O 3.11Å; L227-M256 HydrophobicContact CD1-CB 4.24Å; L227-M256 WeakPolarHBondContact CD1-O 3.3Å; L227-G257 CarbonylContact C-O 3.37Å; L227-F258 HydrophobicContact CB-CD2 4.45Å; L227-F258 HydrophobicContact CD1-CD2 4.17Å; L227-F258 HydrophobicContact CD1-CE2 3.73Å; L227-F258 HydrophobicContact CD1-CZ 4.23Å; L227-F258 HydrophobicContact CD2-CD1 4.42Å; L227-F258 HydrophobicContact CD2-CD2 4.48Å; L227-F258 HydrophobicContact CD2-CE1 3.78Å; L227-F258 HydrophobicContact CD2-CE2 3.85Å; L227-F258 HydrophobicContact CD2-CZ 3.47Å; L227-F258 VanDerWaalsContact CD2-CZ 3.47Å; L227-F258 HydrophobicContact CG-CE2 4.26Å; L227-F258 HydrophobicContact CG-CZ 4.36Å; L227-F258 WeakPolarHBondContact O-CA 3.25Å
228	K	98.4	Very high	98.5	Very high	119 Å²	119	50.4 Å²	50.4	52%	0.517	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-59.4	-20.2	170.3	64.4	-176.4	175.2	176.2	0	114.3	K225 D226 G257 S259	K225-K228 WeakPolarHBondContact O-CE 3.48Å; D226-K228 PolarHBondContact O-N 3.33Å; K228-G257 WeakPolarHBondContact CA-O 3.37Å; K228-G257 PolarHBondContact N-O 3.5Å; K228-S259 WeakPolarHBondContact O-CB 3.38Å
229	Y	98.6	Very high	98.4	Very high	138 Å²	138	47 Å²	47	54%	0.541	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-90.8	-10.6	173.8	-52.1	-55.6	0	0	0	112.7	D226 L227	D226-Y229 HydrophobicContact CB-CD2 3.97Å; D226-Y229 HydrophobicContact CB-CE2 4.25Å; D226-Y229 WeakPolarHBondContact O-CB 3.47Å; D226-Y229 VanDerWaalsContact O-CD2 3.28Å; D226-Y229 WeakPolarHBondContact O-CD2 3.29Å; D226-Y229 PolarHBondContact O-N 3.5Å; L227-Y229 PolarHBondContact O-N 3.43Å; L227-Y229 VanDerWaalsContact O-N 3.16Å
230	Y	98.8	Very high	98.3	Very high	19 Å²	19	43 Å²	43	8%	0.075	20%	0.2	C	C	.	.			trans	-101.9	152	-177.2	-71.5	-98.3	0	0	0	111.2	N46 F47 I49 R62 I222 D226 L227 S259	N46-Y230 WeakPolarHBondContact O-CE1 3.37Å; F47-Y230 HydrophobicContact CB-CD1 4.43Å; F47-Y230 HydrophobicContact CD1-CE1 4.3Å; F47-Y230 HydrophobicContact CD1-CE2 4.43Å; F47-Y230 WeakPolarHBondContact O-CA 3.48Å; I49-Y230 HydrophobicContact CD1-CD1 3.72Å; I49-Y230 HydrophobicContact CD1-CE1 3.93Å; I49-Y230 HydrophobicContact CG1-CD1 3.76Å; I49-Y230 HydrophobicContact CG1-CE1 4.45Å; I49-Y230 HydrophobicContact CG1-CG 4.38Å; R62-Y230 PolarHBondContact NH1-OH 3.06Å; R62-Y230 VanDerWaalsContact NH1-OH 3.07Å; I222-Y230 HydrophobicContact CD1-CD1 4.26Å; I222-Y230 HydrophobicContact CD1-CE1 3.59Å; I222-Y230 HydrophobicContact CD1-CE2 4.28Å; I222-Y230 HydrophobicContact CG1-CE1 4.41Å; I222-Y230 HydrophobicContact CG1-CE2 4.4Å; I222-Y230 HydrophobicContact CG2-CD2 4.22Å; I222-Y230 HydrophobicContact CG2-CE2 3.75Å; D226-Y230 WeakPolarHBondContact O-CD2 3.36Å; L227-Y230 WeakPolarHBondContact O-CA 3.38Å; L227-Y230 PolarHBondContact O-N 3.09Å; L227-Y230 VanDerWaalsContact O-O 3.11Å; Y230-S259 PolarHBondContact O-N 3.47Å; Y230-S259 PolarHBondContact O-OG 2.85Å
231	R	98.8	Very high	98.1	Very high	44 Å²	44	45.2 Å²	45.2	17%	0.166	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	163.4	164.7	-65.8	174.2	-74	174.1	-3.1	109.8	F47 I48 I49 S259 G260 W602	F47-R231 PolarHBondContact O-N 2.97Å; I48-R231 WeakPolarHBondContact CA-O 3.48Å; I48-R231 HydrophobicContact CG1-CB 4.46Å; I49-R231 PolarHBondContact N-O 2.95Å; R231-S259 WeakPolarHBondContact CG-OG 3.29Å; R231-G260 CarbonylContact C-O 3.51Å; R231-G260 VanDerWaalsContact CA-O 3.27Å; R231-G260 WeakPolarHBondContact CA-O 3.37Å; R231-W602 HydrophobicContact CB-CE3 3.89Å; R231-W602 HydrophobicContact CB-CH2 3.7Å; R231-W602 HydrophobicContact CB-CZ2 4.47Å; R231-W602 HydrophobicContact CB-CZ3 3.39Å; R231-W602 HydrophobicContact CG-CE3 4.21Å; R231-W602 HydrophobicContact CG-CZ3 4.2Å
232	C	98.8	Very high	97.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.7	-175.2	179.2	0	0	0	0	112.1	I49 I51 I252 F258 G260 I261 V262 W602	I49-C232 CarbonylContact O-C 3.29Å; I49-C232 VanDerWaalsContact O-CA 3.29Å; I49-C232 WeakPolarHBondContact O-CA 3.25Å; I51-C232 VanDerWaalsContact CD1-SG 3.52Å; C232-I252 HydrophobicContact CB-CG2 3.9Å; C232-F258 HydrophobicContact CB-CD1 3.87Å; C232-F258 HydrophobicContact CB-CE1 4.13Å; C232-F258 HydrophobicContact CB-CG 4.16Å; C232-G260 PolarHBondContact N-O 2.84Å; C232-I261 HydrophobicContact CB-CG1 4.2Å; C232-I261 CarbonylContact O-C 3.45Å; C232-I261 WeakPolarHBondContact O-CA 3.22Å; C232-I261 WeakPolarHBondContact O-CG1 3.39Å; C232-V262 PolarHBondContact O-N 2.63Å; C232-W602 WeakPolarHBondContact O-CZ3 3.47Å
233	I	98.9	Very high	97.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.4	162.5	-64.2	-176	0	0	0	107.8	I48 I49 V50 I51 L235 V262 G589 L592 A593 W602	I48-I233 HydrophobicContact CG2-CD1 3.98Å; I48-I233 HydrophobicContact CG2-CG1 3.87Å; I49-I233 PolarHBondContact O-N 3.41Å; V50-I233 WeakPolarHBondContact CA-O 3.41Å; V50-I233 HydrophobicContact CG1-CG2 4.48Å; V50-I233 HydrophobicContact CG2-CB 4.33Å; I51-I233 PolarHBondContact N-O 3.45Å; I233-L235 HydrophobicContact CG2-CD1 4.04Å; I233-V262 CarbonylContact C-O 3.47Å; I233-V262 WeakPolarHBondContact CA-O 3.31Å; I233-V262 HydrophobicContact CG1-CB 4.28Å; I233-G589 VanDerWaalsContact CD1-O 3.27Å; I233-G589 WeakPolarHBondContact CD1-O 3.36Å; I233-L592 HydrophobicContact CD1-CB 4.39Å; I233-L592 HydrophobicContact CD1-CD2 4.33Å; I233-L592 HydrophobicContact CD1-CG 4.32Å; I233-L592 HydrophobicContact CG2-CD2 3.97Å; I233-A593 HydrophobicContact CD1-CB 3.52Å; I233-W602 HydrophobicContact CD1-CH2 4.37Å; I233-W602 HydrophobicContact CG1-CH2 3.83Å; I233-W602 HydrophobicContact CG1-CZ3 4.43Å
234	L	98.9	Very high	97.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	119	178.5	177.8	64.4	0	0	0	110.3	I51 P53 W212 I236 L248 I252 I261 V262 V263 H264	I51-L234 HydrophobicContact CB-CD1 4.25Å; I51-L234 HydrophobicContact CG2-CD1 4.28Å; P53-L234 HydrophobicContact CG-CD1 4Å; W212-L234 HydrophobicContact CH2-CD1 3.9Å; W212-L234 HydrophobicContact CZ3-CD1 4.33Å; L234-I236 HydrophobicContact CD2-CG2 4.16Å; L234-I236 HydrophobicContact CG-CG2 4.09Å; L234-L248 HydrophobicContact CD2-CB 4.08Å; L234-I252 HydrophobicContact CB-CD1 4.34Å; L234-I252 HydrophobicContact CD1-CD1 4.46Å; L234-I252 HydrophobicContact CD2-CD1 3.99Å; L234-I252 HydrophobicContact CG-CD1 4.5Å; L234-I261 HydrophobicContact CB-CD1 4.07Å; L234-I261 HydrophobicContact CB-CG1 4.45Å; L234-I261 HydrophobicContact CD2-CD1 4.33Å; L234-V262 PolarHBondContact N-O 3.35Å; L234-V263 WeakPolarHBondContact O-CA 3.22Å; L234-H264 PolarHBondContact O-N 3.4Å
235	L	98.9	Very high	97.3	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133.4	168.6	-86	66.2	0	0	0	110.2	V50 I51 H52 P53 I233 H264 C269 A585	V50-L235 HydrophobicContact CG1-CD1 4.14Å; I51-L235 PolarHBondContact O-N 2.85Å; H52-L235 HydrophobicContact CB-CB 4.17Å; H52-L235 HydrophobicContact CB-CD2 3.97Å; P53-L235 WeakPolarHBondContact CD-O 3.3Å; I233-L235 HydrophobicContact CG2-CD1 4.04Å; L235-H264 CarbonylContact C-O 3.55Å; L235-H264 WeakPolarHBondContact CA-O 3.27Å; L235-C269 HydrophobicContact CD2-CB 3.75Å; L235-C269 HydrophobicContact CG-CB 4.08Å; L235-A585 HydrophobicContact CD2-CB 3.91Å; L235-A585 WeakPolarHBondContact CD2-O 3.31Å
236	I	98.7	Very high	97.3	Very high	5 Å²	5	32 Å²	32	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	158.9	177.5	62.1	163.7	0	0	0	111.3	L234 Y240 V245 V263 H264 Q265 E266 F622	L234-I236 HydrophobicContact CD2-CG2 4.16Å; L234-I236 HydrophobicContact CG-CG2 4.09Å; I236-Y240 HydrophobicContact CD1-CD1 3.66Å; I236-Y240 HydrophobicContact CD1-CD2 4.36Å; I236-Y240 HydrophobicContact CD1-CE1 4.3Å; I236-Y240 HydrophobicContact CD1-CG 3.71Å; I236-V245 HydrophobicContact CB-CG2 4.31Å; I236-V245 HydrophobicContact CD1-CG1 4.49Å; I236-V245 HydrophobicContact CD1-CG2 4.08Å; I236-V245 HydrophobicContact CG2-CG1 4.37Å; I236-V245 HydrophobicContact CG2-CG2 3.91Å; I236-V263 HydrophobicContact CB-CG1 4.36Å; I236-V263 HydrophobicContact CD1-CG1 3.67Å; I236-V263 HydrophobicContact CG1-CG1 3.86Å; I236-V263 HydrophobicContact CG2-CG1 3.6Å; I236-H264 WeakPolarHBondContact CG1-O 3.49Å; I236-H264 PolarHBondContact N-O 3.07Å; I236-Q265 CarbonylContact O-C 3.58Å; I236-Q265 WeakPolarHBondContact O-CA 3.44Å; I236-E266 PolarHBondContact O-N 3.1Å; I236-F622 HydrophobicContact CD1-CE1 4.08Å; I236-F622 HydrophobicContact CD1-CE2 4.34Å; I236-F622 HydrophobicContact CD1-CZ 3.58Å
237	P	98.4	Very high	97.2	Very high	31 Å²	31	32 Å²	32	20%	0.201	14%	0.144	C	C	.	.			trans	-57.6	152.8	174.2	-24.1	34.5	0	0	0	112.7	G189 I239	G189-P237 WeakPolarHBondContact O-CG 3.19Å; P237-I239 VanDerWaalsContact C-N 3.33Å; P237-I239 PolarHBondContact O-N 2.9Å
238	D	97.5	Very high	97.2	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	15%	0.148	C	C	.	.	S	Bend	trans	-64.1	-38.8	177.6	-171	60.7	0	0	0	112.5	Q265 S267 C292 S299 R304	D238-Q265 PolarHBondContact O-NE2 3.14Å; D238-Q265 PolarHBondContact OD1-NE2 3.35Å; D238-S267 PolarHBondContact OD1-OG 2.85Å; D238-C292 VanDerWaalsContact OD2-CB 3.31Å; D238-C292 WeakPolarHBondContact OD2-CB 3.47Å; D238-S299 VanDerWaalsContact CG-OG 3.32Å; D238-S299 WeakPolarHBondContact OD1-CB 3.41Å; D238-S299 PolarHBondContact OD1-OG 2.93Å; D238-S299 PolarHBondContact OD2-OG 3.03Å; D238-R304 PolarHBondContact O-NH1 2.88Å; D238-R304 IonicContact OD1-NE 3.19Å; D238-R304 WeakPolarHBondContact OD2-CB 2.99Å; D238-R304 WeakPolarHBondContact OD2-CD 3.47Å; D238-R304 WeakPolarHBondContact OD2-CG 3.39Å; D238-R304 IonicContact OD2-NE 2.69Å
239	I	96.4	Very high	97.2	Very high	19 Å²	19	27 Å²	27	10%	0.097	12%	0.123	C	C	.	.	S	Bend	trans	-102.2	96.7	164.4	-55.3	175.6	0	0	0	107.8	Q190 P237 R304 C306 T407 Q409	Q190-I239 PolarHBondContact NE2-O 2.95Å; P237-I239 VanDerWaalsContact C-N 3.33Å; P237-I239 PolarHBondContact O-N 2.9Å; I239-R304 HydrophobicContact CD1-CB 3.97Å; I239-R304 HydrophobicContact CG1-CB 3.83Å; I239-C306 HydrophobicContact CD1-CB 4.09Å; I239-T407 HydrophobicContact CD1-CG2 4.46Å; I239-T407 HydrophobicContact CG2-CG2 4.41Å; I239-Q409 HydrophobicContact CD1-CB 4.47Å; I239-Q409 HydrophobicContact CG1-CB 4.34Å
240	Y	94.8	Very high	97.3	Very high	14 Å²	14	23 Å²	23	6%	0.055	11%	0.111	C	C	.	.			trans	-100.5	152.3	-176.7	54.3	-92.3	0	0	0	112.3	I236 K242 V245 F622 V623 W624	I236-Y240 HydrophobicContact CD1-CD1 3.66Å; I236-Y240 HydrophobicContact CD1-CD2 4.36Å; I236-Y240 HydrophobicContact CD1-CE1 4.3Å; I236-Y240 HydrophobicContact CD1-CG 3.71Å; Y240-K242 HydrophobicContact CD2-CG 4.36Å; Y240-K242 HydrophobicContact CE2-CG 3.99Å; Y240-V245 HydrophobicContact CD2-CG2 4.4Å; Y240-F622 HydrophobicContact CD1-CE2 4.38Å; Y240-F622 AromaticContact CE1-CD2 3.81Å; Y240-F622 HydrophobicContact CE1-CD2 3.81Å; Y240-F622 AromaticContact CE1-CE2 3.48Å; Y240-F622 HydrophobicContact CE1-CE2 3.48Å; Y240-F622 VanDerWaalsContact CE1-CE2 3.48Å; Y240-F622 HydrophobicContact CE1-CZ 4.26Å; Y240-F622 HydrophobicContact CE2-CE2 4.09Å; Y240-F622 AromaticContact CZ-CD2 3.82Å; Y240-F622 AromaticContact CZ-CE2 3.33Å; Y240-F622 WeakPolarHBondContact OH-CD2 3.16Å; Y240-F622 VanDerWaalsContact OH-CE2 3.23Å; Y240-F622 WeakPolarHBondContact OH-CE2 3.39Å; Y240-V623 PolarHBondContact OH-O 3.27Å; Y240-V623 VanDerWaalsContact OH-O 3.06Å; Y240-W624 HydrophobicContact CD2-CZ3 4.17Å; Y240-W624 AromaticContact CE2-CE3 3.86Å; Y240-W624 HydrophobicContact CE2-CE3 3.86Å; Y240-W624 AromaticContact CE2-CZ3 3.84Å; Y240-W624 HydrophobicContact CE2-CZ3 3.84Å; Y240-W624 WeakPolarHBondContact OH-CA 3.36Å; Y240-W624 PolarHBondContact OH-O 3.29Å
241	N	94.1	Very high	97.2	Very high	60 Å²	60	22.3 Å²	22.3	32%	0.321	11%	0.109	S	C	.	.			trans	-87.9	117.1	166.1	178.9	-41.3	0	0	0	109	Q243 H244 V245	N241-Q243 PolarHBondContact O-N 2.83Å; N241-Q243 WeakPolarHBondContact OD1-CB 3.24Å; N241-Q243 PolarHBondContact OD1-N 3Å; N241-H244 HydrophobicContact CB-CB 4.02Å; N241-H244 PolarHBondContact ND2-CE1 2.85Å; N241-H244 PolarHBondContact O-N 3.17Å; N241-H244 PolarHBondContact OD1-N 2.86Å; N241-H244 VanDerWaalsContact OD1-N 3.13Å; N241-V245 WeakPolarHBondContact O-CG2 3.41Å; N241-V245 PolarHBondContact O-N 2.87Å
242	K	92.6	Very high	97.2	Very high	39 Å²	39	20.2 Å²	20.2	17%	0.17	10%	0.101	C	C	.	.	H	α-helix	trans	-54.9	-46.6	-178.7	-74.1	-176.6	160.2	95.8	0	113	Y240 H244 V245 K246 S412 W624	Y240-K242 HydrophobicContact CD2-CG 4.36Å; Y240-K242 HydrophobicContact CE2-CG 3.99Å; K242-H244 VanDerWaalsContact C-N 3.35Å; K242-H244 PolarHBondContact O-N 2.96Å; K242-V245 PolarHBondContact O-N 2.93Å; K242-K246 WeakPolarHBondContact O-CB 3.39Å; K242-K246 PolarHBondContact O-N 2.82Å; K242-S412 PolarHBondContact NZ-OG 2.97Å; K242-W624 HydrophobicContact CB-CH2 3.96Å; K242-W624 HydrophobicContact CB-CZ2 3.55Å; K242-W624 HydrophobicContact CD-CZ2 4.25Å; K242-W624 WeakPolarHBondContact CE-O 3.21Å; K242-W624 HydrophobicContact CG-CD2 4.41Å; K242-W624 HydrophobicContact CG-CH2 4.09Å; K242-W624 HydrophobicContact CG-CZ2 3.69Å; K242-W624 PolarHBondContact NZ-O 2.79Å; K242-W624 WeakPolarHBondContact O-CH2 3.26Å
243	Q	92.5	Very high	97.2	Very high	91 Å²	91	20.2 Å²	20.2	43%	0.425	10%	0.101	S	C	.	.	H	α-helix	trans	-62.1	-43.8	179.5	-173.4	-176.5	7.6	0	0	110.9	N241 V245 K246 E247	N241-Q243 PolarHBondContact O-N 2.83Å; N241-Q243 WeakPolarHBondContact OD1-CB 3.24Å; N241-Q243 PolarHBondContact OD1-N 3Å; Q243-V245 PolarHBondContact O-N 2.96Å; Q243-K246 WeakPolarHBondContact O-CB 3.36Å; Q243-K246 PolarHBondContact O-N 2.78Å; Q243-E247 WeakPolarHBondContact O-CG 3.34Å; Q243-E247 PolarHBondContact O-N 2.9Å
244	H	96.1	Very high	97.2	Very high	21 Å²	21	23.2 Å²	23.2	10%	0.097	12%	0.116	C	C	.	.	H	α-helix	trans	-64.1	-42.8	178.6	-62.9	174.6	0	0	0	112	L191 N241 K242 E247 L248	L191-H244 HydrophobicContact CD1-CB 3.74Å; L191-H244 HydrophobicContact CG-CB 4.04Å; N241-H244 HydrophobicContact CB-CB 4.02Å; N241-H244 PolarHBondContact ND2-CE1 2.85Å; N241-H244 PolarHBondContact O-N 3.17Å; N241-H244 PolarHBondContact OD1-N 2.86Å; N241-H244 VanDerWaalsContact OD1-N 3.13Å; K242-H244 VanDerWaalsContact C-N 3.35Å; K242-H244 PolarHBondContact O-N 2.96Å; H244-E247 PolarHBondContact O-N 3.02Å; H244-L248 WeakPolarHBondContact O-CG 3.49Å; H244-L248 PolarHBondContact O-N 3.4Å
245	V	97.4	Very high	97.2	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.024	14%	0.144	C	C	.	.	H	α-helix	trans	-65.4	-41.5	177.3	173.6	0	0	0	0	110.9	I236 Y240 N241 K242 Q243 E247 L248 V249 V263 W624	I236-V245 HydrophobicContact CB-CG2 4.31Å; I236-V245 HydrophobicContact CD1-CG1 4.49Å; I236-V245 HydrophobicContact CD1-CG2 4.08Å; I236-V245 HydrophobicContact CG2-CG1 4.37Å; I236-V245 HydrophobicContact CG2-CG2 3.91Å; Y240-V245 HydrophobicContact CD2-CG2 4.4Å; N241-V245 WeakPolarHBondContact O-CG2 3.41Å; N241-V245 PolarHBondContact O-N 2.87Å; K242-V245 PolarHBondContact O-N 2.93Å; Q243-V245 PolarHBondContact O-N 2.96Å; V245-E247 VanDerWaalsContact C-N 3.32Å; V245-E247 PolarHBondContact O-N 3.2Å; V245-L248 PolarHBondContact O-N 3.07Å; V245-V249 HydrophobicContact CG1-CG2 4.27Å; V245-V249 VanDerWaalsContact O-CG2 3.24Å; V245-V249 WeakPolarHBondContact O-CG2 3.39Å; V245-V249 PolarHBondContact O-N 2.94Å; V245-V263 HydrophobicContact CG1-CG1 4.05Å; V245-W624 HydrophobicContact CB-CH2 3.85Å; V245-W624 HydrophobicContact CB-CZ3 4.06Å; V245-W624 HydrophobicContact CG1-CH2 3.87Å; V245-W624 HydrophobicContact CG1-CZ3 3.74Å
246	K	96.5	Very high	97.2	Very high	13 Å²	13	30.1 Å²	30.1	6%	0.057	15%	0.146	C	C	.	.	H	α-helix	trans	-52.7	-50.1	172	171.4	-174.2	80.9	-178.3	0	111.3	K242 Q243 L248 V249 N250 E417 W608 V613	K242-K246 WeakPolarHBondContact O-CB 3.39Å; K242-K246 PolarHBondContact O-N 2.82Å; Q243-K246 WeakPolarHBondContact O-CB 3.36Å; Q243-K246 PolarHBondContact O-N 2.78Å; K246-L248 PolarHBondContact O-N 2.96Å; K246-V249 PolarHBondContact O-N 3.45Å; K246-N250 WeakPolarHBondContact O-CB 3.41Å; K246-N250 PolarHBondContact O-N 3.22Å; K246-E417 IonicContact NZ-OE2 3Å; K246-E417 PolarHBondContact NZ-OE2 3.39Å; K246-W608 HydrophobicContact CG-CH2 4.16Å; K246-W608 HydrophobicContact CG-CZ2 4.1Å; K246-V613 HydrophobicContact CB-CG2 4.43Å; K246-V613 HydrophobicContact CD-CG2 3.23Å; K246-V613 HydrophobicContact CG-CG2 3.69Å
247	E	98.1	Very high	97.2	Very high	45 Å²	45	30.9 Å²	30.9	21%	0.21	16%	0.155	C	C	.	.	H	α-helix	trans	-66.7	-36.2	-178.7	-67.1	-52.3	149.8	0	0	113	L201 L205 Q243 H244 V245 N250 M251	L201-E247 HydrophobicContact CD2-CG 4.23Å; L205-E247 HydrophobicContact CD1-CB 3.61Å; L205-E247 HydrophobicContact CD1-CG 3.99Å; L205-E247 HydrophobicContact CD2-CB 3.88Å; L205-E247 HydrophobicContact CG-CB 4.38Å; Q243-E247 WeakPolarHBondContact O-CG 3.34Å; Q243-E247 PolarHBondContact O-N 2.9Å; H244-E247 PolarHBondContact O-N 3.02Å; V245-E247 VanDerWaalsContact C-N 3.32Å; V245-E247 PolarHBondContact O-N 3.2Å; E247-N250 PolarHBondContact O-N 3.47Å; E247-M251 WeakPolarHBondContact O-CB 3.45Å; E247-M251 PolarHBondContact O-N 2.76Å
248	L	98.8	Very high	97.2	Very high	16 Å²	16	29.4 Å²	29.4	8%	0.084	15%	0.146	C	C	.	.	H	α-helix	trans	-66.5	-42	175.1	-71.5	171.7	0	0	0	112.1	L205 I208 W212 L234 H244 V245 K246 N250 M251 I252	L205-L248 HydrophobicContact CD2-CD2 3.98Å; L205-L248 HydrophobicContact CD2-CG 4.43Å; I208-L248 HydrophobicContact CD1-CD2 4.05Å; I208-L248 HydrophobicContact CG2-CD2 4.08Å; W212-L248 HydrophobicContact CH2-CD2 3.94Å; W212-L248 HydrophobicContact CZ3-CD2 4.44Å; L234-L248 HydrophobicContact CD2-CB 4.08Å; H244-L248 WeakPolarHBondContact O-CG 3.49Å; H244-L248 PolarHBondContact O-N 3.4Å; V245-L248 PolarHBondContact O-N 3.07Å; K246-L248 PolarHBondContact O-N 2.96Å; L248-N250 VanDerWaalsContact C-N 3.33Å; L248-M251 HydrophobicContact CD2-CE 4.07Å; L248-M251 PolarHBondContact O-N 2.75Å; L248-I252 WeakPolarHBondContact O-CG1 3.38Å; L248-I252 PolarHBondContact O-N 2.74Å
249	V	98.7	Very high	97.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-46.5	173.8	171.4	0	0	0	0	110	V245 K246 M251 I252 L253 I261 V263 W608 L616	V245-V249 HydrophobicContact CG1-CG2 4.27Å; V245-V249 VanDerWaalsContact O-CG2 3.24Å; V245-V249 WeakPolarHBondContact O-CG2 3.39Å; V245-V249 PolarHBondContact O-N 2.94Å; K246-V249 PolarHBondContact O-N 3.45Å; V249-M251 PolarHBondContact O-N 2.75Å; V249-I252 PolarHBondContact O-N 2.9Å; V249-L253 HydrophobicContact CG1-CD1 4.01Å; V249-L253 PolarHBondContact O-N 3.4Å; V249-I261 HydrophobicContact CG1-CG2 4.06Å; V249-I261 HydrophobicContact CG2-CD1 4.12Å; V249-V263 HydrophobicContact CG2-CG2 3.71Å; V249-W608 HydrophobicContact CB-CH2 4Å; V249-W608 HydrophobicContact CB-CZ2 4.04Å; V249-W608 HydrophobicContact CB-CZ3 4.4Å; V249-W608 HydrophobicContact CG1-CD2 3.72Å; V249-W608 HydrophobicContact CG1-CE3 3.64Å; V249-W608 HydrophobicContact CG1-CH2 3.63Å; V249-W608 HydrophobicContact CG1-CZ2 3.71Å; V249-W608 HydrophobicContact CG1-CZ3 3.6Å; V249-L616 HydrophobicContact CG2-CD1 4.44Å; V249-L616 HydrophobicContact CG2-CD2 4.3Å
250	N	98.6	Very high	97.3	Very high	53 Å²	53	29.9 Å²	29.9	28%	0.283	15%	0.151	S	C	.	.	H	α-helix	trans	-60	-44.8	176.8	-175.4	59.1	0	0	0	112.2	K246 E247 L248 M254 W608	K246-N250 WeakPolarHBondContact O-CB 3.41Å; K246-N250 PolarHBondContact O-N 3.22Å; E247-N250 PolarHBondContact O-N 3.47Å; L248-N250 VanDerWaalsContact C-N 3.33Å; N250-M254 WeakPolarHBondContact O-CA 3.48Å; N250-M254 WeakPolarHBondContact O-CB 3.06Å; N250-M254 PolarHBondContact O-N 3.46Å; N250-M254 WeakPolarHBondContact OD1-CG 3.32Å; N250-W608 HydrophobicContact CB-CZ2 4.16Å; N250-W608 PolarHBondContact OD1-NE1 2.98Å
251	M	98.8	Very high	97.5	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.03	15%	0.148	C	C	.	.	I	π-helix	trans	-60.4	-49.1	176	179.9	-161.7	73.8	0	0	111.7	I208 E209 W212 E247 L248 V249 L253 K255 M256	I208-M251 HydrophobicContact CB-SD 4.3Å; I208-M251 HydrophobicContact CG2-CE 3.73Å; I208-M251 HydrophobicContact CG2-SD 3.87Å; E209-M251 HydrophobicContact CB-CG 4.17Å; E209-M251 HydrophobicContact CB-SD 3.82Å; E209-M251 HydrophobicContact CG-CG 4.4Å; W212-M251 HydrophobicContact CD2-CE 4.42Å; W212-M251 HydrophobicContact CE3-CE 3.52Å; W212-M251 HydrophobicContact CH2-CE 4.22Å; W212-M251 HydrophobicContact CZ3-CE 3.38Å; E247-M251 WeakPolarHBondContact O-CB 3.45Å; E247-M251 PolarHBondContact O-N 2.76Å; L248-M251 HydrophobicContact CD2-CE 4.07Å; L248-M251 PolarHBondContact O-N 2.75Å; V249-M251 PolarHBondContact O-N 2.75Å; M251-L253 PolarHBondContact O-N 3.06Å; M251-K255 HydrophobicContact CG-CB 4.45Å; M251-K255 WeakPolarHBondContact O-CA 3.45Å; M251-K255 VanDerWaalsContact O-CB 3.3Å; M251-K255 WeakPolarHBondContact O-CB 3.39Å; M251-K255 PolarHBondContact O-N 2.81Å; M251-M256 HydrophobicContact CE-SD 3.98Å; M251-M256 PolarHBondContact O-N 3.4Å
252	I	98.8	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	I	π-helix	trans	-60.7	-47.8	-179.4	-74.4	168.5	0	0	0	111.5	W212 C232 L234 L248 V249 M256 G257 F258 I261	W212-I252 HydrophobicContact CZ3-CD1 3.97Å; W212-I252 HydrophobicContact CZ3-CG1 4.15Å; C232-I252 HydrophobicContact CB-CG2 3.9Å; L234-I252 HydrophobicContact CB-CD1 4.34Å; L234-I252 HydrophobicContact CD1-CD1 4.46Å; L234-I252 HydrophobicContact CD2-CD1 3.99Å; L234-I252 HydrophobicContact CG-CD1 4.5Å; L248-I252 WeakPolarHBondContact O-CG1 3.38Å; L248-I252 PolarHBondContact O-N 2.74Å; V249-I252 PolarHBondContact O-N 2.9Å; I252-M256 HydrophobicContact CG1-SD 4.25Å; I252-G257 PolarHBondContact O-N 2.91Å; I252-F258 HydrophobicContact CG2-CB 3.75Å; I252-F258 HydrophobicContact CG2-CD2 3.75Å; I252-F258 HydrophobicContact CG2-CG 3.91Å; I252-F258 PolarHBondContact O-N 3.31Å; I252-F258 VanDerWaalsContact O-N 3.16Å; I252-I261 HydrophobicContact CB-CD1 4.14Å; I252-I261 HydrophobicContact CD1-CD1 3.48Å; I252-I261 VanDerWaalsContact CD1-CD1 3.48Å; I252-I261 HydrophobicContact CG1-CD1 4.42Å; I252-I261 HydrophobicContact CG2-CB 4.48Å; I252-I261 HydrophobicContact CG2-CD1 3.98Å; I252-I261 HydrophobicContact CG2-CG1 4.48Å
253	L	98.8	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	I	π-helix	trans	-79.1	-46.9	-174.8	-66.9	179.6	0	0	0	112.3	V249 M251 F258 I261 I603 Q605 W608	V249-L253 HydrophobicContact CG1-CD1 4.01Å; V249-L253 PolarHBondContact O-N 3.4Å; M251-L253 PolarHBondContact O-N 3.06Å; L253-F258 WeakPolarHBondContact CD2-O 3.35Å; L253-I261 HydrophobicContact CD1-CG2 3.77Å; L253-I261 HydrophobicContact CD2-CB 4.14Å; L253-I261 HydrophobicContact CD2-CG2 3.93Å; L253-I261 HydrophobicContact CG-CB 4.49Å; L253-I261 HydrophobicContact CG-CG2 3.91Å; L253-I603 HydrophobicContact CD1-CG2 4.31Å; L253-Q605 HydrophobicContact CB-CG 4.17Å; L253-Q605 HydrophobicContact CD2-CG 4.17Å; L253-Q605 PolarHBondContact O-NE2 2.85Å; L253-Q605 VanDerWaalsContact O-NE2 3.13Å; L253-W608 HydrophobicContact CD1-CB 3.46Å; L253-W608 VanDerWaalsContact CD1-CB 3.46Å; L253-W608 HydrophobicContact CD1-CD2 4.23Å; L253-W608 HydrophobicContact CD1-CG 3.65Å
254	M	98.4	Very high	98.3	Very high	63 Å²	63	20.8 Å²	20.8	31%	0.31	11%	0.108	S	C	.	.	I	π-helix	trans	-95.3	-29.8	-168.5	-55.5	-67.9	96.8	0	0	113.8	N250 Q605 Q609	N250-M254 WeakPolarHBondContact O-CA 3.48Å; N250-M254 WeakPolarHBondContact O-CB 3.06Å; N250-M254 PolarHBondContact O-N 3.46Å; N250-M254 WeakPolarHBondContact OD1-CG 3.32Å; M254-Q605 HydrophobicContact CE-CB 3.74Å; M254-Q605 HydrophobicContact CE-CG 3.83Å; M254-Q605 WeakPolarHBondContact CE-O 3.27Å; M254-Q609 HydrophobicContact SD-CB 4.16Å
255	K	97.9	Very high	98.5	Very high	136 Å²	136	19.9 Å²	19.9	59%	0.591	10%	0.104	S	C	*	.	I	π-helix	trans	-96.8	-55.1	-179.8	-57.4	-59.8	-163.6	72.3	0	111.7	M251	M251-K255 HydrophobicContact CG-CB 4.45Å; M251-K255 WeakPolarHBondContact O-CA 3.45Å; M251-K255 VanDerWaalsContact O-CB 3.3Å; M251-K255 WeakPolarHBondContact O-CB 3.39Å; M251-K255 PolarHBondContact O-N 2.81Å
256	M	98.6	Very high	98.5	Very high	14 Å²	14	20.1 Å²	20.1	7%	0.069	11%	0.105	C	C	.	.	S	Bend	trans	-74.5	-27.5	-178.8	-61	178.4	76.9	0	0	112.8	E209 W212 I216 L227 M251 I252 F258	E209-M256 HydrophobicContact CG-CG 4.12Å; W212-M256 HydrophobicContact CB-CE 3.99Å; W212-M256 HydrophobicContact CE3-SD 4.37Å; I216-M256 HydrophobicContact CD1-CE 3.64Å; L227-M256 HydrophobicContact CD1-CB 4.24Å; L227-M256 WeakPolarHBondContact CD1-O 3.3Å; M251-M256 HydrophobicContact CE-SD 3.98Å; M251-M256 PolarHBondContact O-N 3.4Å; I252-M256 HydrophobicContact CG1-SD 4.25Å; M256-F258 HydrophobicContact CB-CD2 4.01Å; M256-F258 HydrophobicContact CB-CE2 4.27Å; M256-F258 HydrophobicContact CE-CE2 3.92Å; M256-F258 HydrophobicContact SD-CE2 4.39Å
257	G	98.4	Very high	98.6	Very high	21 Å²	21	19.7 Å²	19.7	22%	0.216	10%	0.103	C	C	.	.			trans	87.6	22.4	172.8	0	0	0	0	0	115.3	L227 K228 I252 Q605	L227-G257 CarbonylContact C-O 3.37Å; K228-G257 WeakPolarHBondContact CA-O 3.37Å; K228-G257 PolarHBondContact N-O 3.5Å; I252-G257 PolarHBondContact O-N 2.91Å; G257-Q605 PolarHBondContact O-NE2 2.87Å; G257-Q605 VanDerWaalsContact O-NE2 3.11Å
258	F	98.9	Very high	98.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.			trans	-64	140.6	169.9	-79.7	-93	0	0	0	111.4	I49 I216 L227 C232 I252 L253 M256 G260 Q605	I49-F258 HydrophobicContact CB-CE1 3.97Å; I49-F258 HydrophobicContact CB-CZ 4.27Å; I49-F258 HydrophobicContact CG1-CE1 3.82Å; I49-F258 HydrophobicContact CG1-CZ 4.22Å; I216-F258 HydrophobicContact CD1-CE2 4.1Å; I216-F258 HydrophobicContact CD1-CZ 3.89Å; L227-F258 HydrophobicContact CB-CD2 4.45Å; L227-F258 HydrophobicContact CD1-CD2 4.17Å; L227-F258 HydrophobicContact CD1-CE2 3.73Å; L227-F258 HydrophobicContact CD1-CZ 4.23Å; L227-F258 HydrophobicContact CD2-CD1 4.42Å; L227-F258 HydrophobicContact CD2-CD2 4.48Å; L227-F258 HydrophobicContact CD2-CE1 3.78Å; L227-F258 HydrophobicContact CD2-CE2 3.85Å; L227-F258 HydrophobicContact CD2-CZ 3.47Å; L227-F258 VanDerWaalsContact CD2-CZ 3.47Å; L227-F258 HydrophobicContact CG-CE2 4.26Å; L227-F258 HydrophobicContact CG-CZ 4.36Å; L227-F258 WeakPolarHBondContact O-CA 3.25Å; C232-F258 HydrophobicContact CB-CD1 3.87Å; C232-F258 HydrophobicContact CB-CE1 4.13Å; C232-F258 HydrophobicContact CB-CG 4.16Å; I252-F258 HydrophobicContact CG2-CB 3.75Å; I252-F258 HydrophobicContact CG2-CD2 3.75Å; I252-F258 HydrophobicContact CG2-CG 3.91Å; I252-F258 PolarHBondContact O-N 3.31Å; I252-F258 VanDerWaalsContact O-N 3.16Å; L253-F258 WeakPolarHBondContact CD2-O 3.35Å; M256-F258 HydrophobicContact CB-CD2 4.01Å; M256-F258 HydrophobicContact CB-CE2 4.27Å; M256-F258 HydrophobicContact CE-CE2 3.92Å; M256-F258 HydrophobicContact SD-CE2 4.39Å; F258-G260 PolarHBondContact O-N 2.86Å; F258-Q605 WeakPolarHBondContact O-CG 3.3Å; F258-Q605 PolarHBondContact O-NE2 3.48Å
259	S	98.6	Very high	98.6	Very high	32 Å²	32	16.8 Å²	16.8	22%	0.224	9%	0.089	C	C	.	.	S	Bend	trans	-69.8	-33	-176.4	60.9	0	0	0	0	114.1	K228 Y230 R231 Y604 Q605	K228-S259 WeakPolarHBondContact O-CB 3.38Å; Y230-S259 PolarHBondContact O-N 3.47Å; Y230-S259 PolarHBondContact O-OG 2.85Å; R231-S259 WeakPolarHBondContact CG-OG 3.29Å; S259-Y604 WeakPolarHBondContact O-CA 3.28Å; S259-Y604 WeakPolarHBondContact O-CD1 3.26Å; S259-Q605 PolarHBondContact O-N 2.92Å
260	G	98.7	Very high	98.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	161.6	179	0	0	0	0	0	113	R231 C232 F258 I603	R231-G260 CarbonylContact C-O 3.51Å; R231-G260 VanDerWaalsContact CA-O 3.27Å; R231-G260 WeakPolarHBondContact CA-O 3.37Å; C232-G260 PolarHBondContact N-O 2.84Å; F258-G260 PolarHBondContact O-N 2.86Å; G260-I603 CarbonylContact C-O 3.45Å; G260-I603 WeakPolarHBondContact CA-O 3.28Å
261	I	98.9	Very high	98.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	142.6	-176.5	-170.6	177.6	0	0	0	112	C232 L234 V249 I252 L253 V263 I603	C232-I261 HydrophobicContact CB-CG1 4.2Å; C232-I261 CarbonylContact O-C 3.45Å; C232-I261 WeakPolarHBondContact O-CA 3.22Å; C232-I261 WeakPolarHBondContact O-CG1 3.39Å; L234-I261 HydrophobicContact CB-CD1 4.07Å; L234-I261 HydrophobicContact CB-CG1 4.45Å; L234-I261 HydrophobicContact CD2-CD1 4.33Å; V249-I261 HydrophobicContact CG1-CG2 4.06Å; V249-I261 HydrophobicContact CG2-CD1 4.12Å; I252-I261 HydrophobicContact CB-CD1 4.14Å; I252-I261 HydrophobicContact CD1-CD1 3.48Å; I252-I261 VanDerWaalsContact CD1-CD1 3.48Å; I252-I261 HydrophobicContact CG1-CD1 4.42Å; I252-I261 HydrophobicContact CG2-CB 4.48Å; I252-I261 HydrophobicContact CG2-CD1 3.98Å; I252-I261 HydrophobicContact CG2-CG1 4.48Å; L253-I261 HydrophobicContact CD1-CG2 3.77Å; L253-I261 HydrophobicContact CD2-CB 4.14Å; L253-I261 HydrophobicContact CD2-CG2 3.93Å; L253-I261 HydrophobicContact CG-CB 4.49Å; L253-I261 HydrophobicContact CG-CG2 3.91Å; I261-V263 HydrophobicContact CD1-CG2 4.05Å; I261-V263 HydrophobicContact CG1-CG2 4.25Å; I261-I603 HydrophobicContact CG2-CB 4.12Å; I261-I603 PolarHBondContact N-O 3.33Å; I261-I603 PolarHBondContact O-N 2.86Å
262	V	98.8	Very high	98.6	Very high	2 Å²	2	17 Å²	17	1%	0.012	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.8	161.9	168.3	0	0	0	0	107.9	C232 I233 L234 L592 T598 L601 W602	C232-V262 PolarHBondContact O-N 2.63Å; I233-V262 CarbonylContact C-O 3.47Å; I233-V262 WeakPolarHBondContact CA-O 3.31Å; I233-V262 HydrophobicContact CG1-CB 4.28Å; L234-V262 PolarHBondContact N-O 3.35Å; V262-L592 HydrophobicContact CG1-CD2 3.92Å; V262-T598 HydrophobicContact CG2-CG2 4.13Å; V262-L601 HydrophobicContact CG1-CB 4.22Å; V262-L601 HydrophobicContact CG1-CD1 4.38Å; V262-L601 HydrophobicContact CG2-CB 3.78Å; V262-W602 HydrophobicContact CB-CE3 4.36Å; V262-W602 HydrophobicContact CB-CZ3 4.22Å; V262-W602 HydrophobicContact CG2-CD2 3.59Å; V262-W602 HydrophobicContact CG2-CE3 3.55Å; V262-W602 HydrophobicContact CG2-CG 4.07Å; V262-W602 HydrophobicContact CG2-CH2 4.18Å; V262-W602 HydrophobicContact CG2-CZ2 4.24Å; V262-W602 HydrophobicContact CG2-CZ3 3.81Å
263	V	98.6	Very high	98.5	Very high	7 Å²	7	17.3 Å²	17.3	4%	0.042	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.9	176.4	-178.1	0	0	0	0	108.6	L234 I236 V245 V249 I261 L616 F622	L234-V263 WeakPolarHBondContact O-CA 3.22Å; I236-V263 HydrophobicContact CB-CG1 4.36Å; I236-V263 HydrophobicContact CD1-CG1 3.67Å; I236-V263 HydrophobicContact CG1-CG1 3.86Å; I236-V263 HydrophobicContact CG2-CG1 3.6Å; V245-V263 HydrophobicContact CG1-CG1 4.05Å; V249-V263 HydrophobicContact CG2-CG2 3.71Å; I261-V263 HydrophobicContact CD1-CG2 4.05Å; I261-V263 HydrophobicContact CG1-CG2 4.25Å; V263-L616 HydrophobicContact CG2-CD2 4.3Å; V263-F622 HydrophobicContact CG1-CE1 4.35Å; V263-F622 HydrophobicContact CG1-CZ 4.34Å; V263-F622 WeakPolarHBondContact O-CE1 3.29Å
264	H	98.6	Very high	98.5	Very high	3 Å²	3	17.7 Å²	17.7	1%	0.014	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156.6	177.9	-151.1	8.8	0	0	0	113.8	L234 L235 I236 V268 Y272 L592 F622	L234-H264 PolarHBondContact O-N 3.4Å; L235-H264 CarbonylContact C-O 3.55Å; L235-H264 WeakPolarHBondContact CA-O 3.27Å; I236-H264 WeakPolarHBondContact CG1-O 3.49Å; I236-H264 PolarHBondContact N-O 3.07Å; H264-V268 VanDerWaalsContact NE2-CG1 3.3Å; H264-V268 WeakPolarHBondContact NE2-CG1 3.44Å; H264-Y272 AromaticContact CD2-CE2 3.76Å; H264-Y272 AromaticContact NE2-CE2 3.59Å; H264-L592 HydrophobicContact CB-CD2 3.88Å; H264-F622 AromaticContact ND1-CD1 3.9Å
265	Q	98.8	Very high	98.4	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.009	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	137.4	-173.9	-61.6	176.7	-85.7	0	0	110.4	I236 D238 S267 V268 C269 R304 F622	I236-Q265 CarbonylContact O-C 3.58Å; I236-Q265 WeakPolarHBondContact O-CA 3.44Å; D238-Q265 PolarHBondContact O-NE2 3.14Å; D238-Q265 PolarHBondContact OD1-NE2 3.35Å; Q265-S267 PolarHBondContact O-N 3.29Å; Q265-V268 HydrophobicContact CB-CG2 4.31Å; Q265-V268 PolarHBondContact O-N 3.3Å; Q265-C269 PolarHBondContact O-N 3.2Å; Q265-C269 PolarHBondContact O-SG 3.12Å; Q265-R304 VanDerWaalsContact NE2-NH2 3.18Å; Q265-F622 HydrophobicContact CG-CD1 3.99Å; Q265-F622 HydrophobicContact CG-CE1 4.32Å; Q265-F622 HydrophobicContact CG-CG 4.14Å
266	E	98.6	Very high	98.3	Very high	10 Å²	10	13.3 Å²	13.3	5%	0.047	9%	0.089	C	C	.	.	H	α-helix	trans	-56.4	-34.6	-178.5	63.5	179.3	-177.3	0	0	112.6	I236 C269 A270 K288 S290	I236-E266 PolarHBondContact O-N 3.1Å; E266-C269 PolarHBondContact O-N 2.76Å; E266-A270 WeakPolarHBondContact O-CB 3.41Å; E266-A270 PolarHBondContact O-N 2.99Å; E266-K288 IonicContact OE1-NZ 2.65Å; E266-K288 PolarHBondContact OE1-NZ 3.37Å; E266-K288 IonicContact OE2-NZ 2.75Å; E266-K288 PolarHBondContact OE2-NZ 3.32Å; E266-S290 PolarHBondContact OE1-OG 3.42Å
267	S	98.5	Very high	98.2	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-66.7	-47	178.8	50.3	0	0	0	0	112.5	D238 Q265 A270 T271 C292	D238-S267 PolarHBondContact OD1-OG 2.85Å; Q265-S267 PolarHBondContact O-N 3.29Å; S267-A270 WeakPolarHBondContact O-CB 3.33Å; S267-A270 PolarHBondContact O-N 3.06Å; S267-T271 PolarHBondContact O-N 3.4Å; S267-C292 WeakPolarHBondContact CB-SG 3.45Å
268	V	98.7	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.9	-41.7	175.5	-177.8	0	0	0	0	110	H264 Q265 A270 T271 Y272 V294 G297	H264-V268 VanDerWaalsContact NE2-CG1 3.3Å; H264-V268 WeakPolarHBondContact NE2-CG1 3.44Å; Q265-V268 HydrophobicContact CB-CG2 4.31Å; Q265-V268 PolarHBondContact O-N 3.3Å; V268-A270 VanDerWaalsContact C-N 3.27Å; V268-A270 PolarHBondContact O-N 3.4Å; V268-T271 WeakPolarHBondContact O-CB 3.38Å; V268-T271 PolarHBondContact O-N 3.31Å; V268-T271 PolarHBondContact O-OG1 3.25Å; V268-Y272 HydrophobicContact CG1-CD2 4.41Å; V268-Y272 HydrophobicContact CG1-CE1 4.29Å; V268-Y272 HydrophobicContact CG1-CE2 3.71Å; V268-Y272 PolarHBondContact O-N 3.37Å; V268-Y272 VanDerWaalsContact O-N 3.14Å; V268-V294 HydrophobicContact CG2-CG1 4.18Å; V268-V294 HydrophobicContact CG2-CG2 4.47Å; V268-G297 VanDerWaalsContact CG1-O 3.29Å; V268-G297 WeakPolarHBondContact CG1-O 3.45Å
269	C	98.7	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.2	-38.3	173.5	-62.4	0	0	0	0	111.4	L235 Q265 E266 T271 Y272 G273 A585 G588	L235-C269 HydrophobicContact CD2-CB 3.75Å; L235-C269 HydrophobicContact CG-CB 4.08Å; Q265-C269 PolarHBondContact O-N 3.2Å; Q265-C269 PolarHBondContact O-SG 3.12Å; E266-C269 PolarHBondContact O-N 2.76Å; C269-T271 VanDerWaalsContact C-N 3.27Å; C269-T271 PolarHBondContact O-N 3.07Å; C269-Y272 PolarHBondContact O-N 2.67Å; C269-Y272 VanDerWaalsContact O-N 3.13Å; C269-G273 PolarHBondContact O-N 3.4Å; C269-A585 WeakPolarHBondContact CB-O 3.44Å; C269-G588 VanDerWaalsContact O-CA 3.24Å; C269-G588 WeakPolarHBondContact O-CA 3.44Å
270	A	98.7	Very high	98.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.3	-34.5	174	0	0	0	0	0	113.2	E266 S267 V268 G273 S274 I281 V538 A585	E266-A270 WeakPolarHBondContact O-CB 3.41Å; E266-A270 PolarHBondContact O-N 2.99Å; S267-A270 WeakPolarHBondContact O-CB 3.33Å; S267-A270 PolarHBondContact O-N 3.06Å; V268-A270 VanDerWaalsContact C-N 3.27Å; V268-A270 PolarHBondContact O-N 3.4Å; A270-G273 PolarHBondContact O-N 2.99Å; A270-S274 WeakPolarHBondContact O-CB 3.43Å; A270-S274 PolarHBondContact O-N 2.91Å; A270-S274 PolarHBondContact O-OG 3.35Å; A270-I281 HydrophobicContact CB-CD1 4.29Å; A270-I281 HydrophobicContact CB-CG2 4.31Å; A270-V538 HydrophobicContact CB-CG1 4.22Å; A270-V538 HydrophobicContact CB-CG2 4.28Å; A270-A585 HydrophobicContact CB-CB 4.33Å
271	T	98.6	Very high	98.2	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.018	10%	0.096	C	C	.	.	H	α-helix	trans	-63.6	-44.8	171.4	62.6	0	0	0	0	112.5	S267 V268 C269 G273 S274 G275 L276 T279 I281 V294	S267-T271 PolarHBondContact O-N 3.4Å; V268-T271 WeakPolarHBondContact O-CB 3.38Å; V268-T271 PolarHBondContact O-N 3.31Å; V268-T271 PolarHBondContact O-OG1 3.25Å; C269-T271 VanDerWaalsContact C-N 3.27Å; C269-T271 PolarHBondContact O-N 3.07Å; T271-G273 PolarHBondContact O-N 2.98Å; T271-S274 PolarHBondContact O-N 3.44Å; T271-S274 PolarHBondContact O-OG 3.02Å; T271-S274 VanDerWaalsContact O-OG 3.12Å; T271-G275 WeakPolarHBondContact O-CA 3.45Å; T271-G275 PolarHBondContact O-N 3.47Å; T271-L276 WeakPolarHBondContact CB-O 3.28Å; T271-L276 WeakPolarHBondContact CG2-O 3.35Å; T271-L276 PolarHBondContact O-N 2.86Å; T271-T279 HydrophobicContact CG2-CG2 3.77Å; T271-I281 HydrophobicContact CG2-CD1 3.78Å; T271-I281 HydrophobicContact CG2-CG1 4.24Å; T271-V294 HydrophobicContact CG2-CB 3.7Å; T271-V294 HydrophobicContact CG2-CG1 3.54Å; T271-V294 HydrophobicContact CG2-CG2 4.24Å
272	Y	98.2	Very high	98.2	Very high	62 Å²	62	14.6 Å²	14.6	24%	0.243	10%	0.096	C	C	.	.	H	α-helix	trans	-63.5	-41	176	-60	-30.9	0	0	0	112.6	H264 V268 C269 L592 L595	H264-Y272 AromaticContact CD2-CE2 3.76Å; H264-Y272 AromaticContact NE2-CE2 3.59Å; V268-Y272 HydrophobicContact CG1-CD2 4.41Å; V268-Y272 HydrophobicContact CG1-CE1 4.29Å; V268-Y272 HydrophobicContact CG1-CE2 3.71Å; V268-Y272 PolarHBondContact O-N 3.37Å; V268-Y272 VanDerWaalsContact O-N 3.14Å; C269-Y272 PolarHBondContact O-N 2.67Å; C269-Y272 VanDerWaalsContact O-N 3.13Å; Y272-L592 HydrophobicContact CD2-CB 4.29Å; Y272-L592 HydrophobicContact CD2-CD1 4.5Å; Y272-L592 HydrophobicContact CE2-CD1 3.94Å; Y272-L595 HydrophobicContact CE1-CD1 4.37Å; Y272-L595 HydrophobicContact CE2-CD1 4.4Å
273	G	97.6	Very high	98.2	Very high	6 Å²	6	15.2 Å²	15.2	6%	0.062	10%	0.099	C	C	.	.	H	α-helix	trans	-68	-34.8	180	0	0	0	0	0	113.5	C269 A270 T271 G588	C269-G273 PolarHBondContact O-N 3.4Å; A270-G273 PolarHBondContact O-N 2.99Å; T271-G273 PolarHBondContact O-N 2.98Å; G273-G588 VanDerWaalsContact N-CA 3.32Å
274	S	97.4	Very high	98.2	Very high	7 Å²	7	14.9 Å²	14.9	5%	0.049	10%	0.097	C	C	.	.	H	α-helix	trans	-85	-30.3	178.1	58.6	0	0	0	0	113.1	A270 T271 L276 L536 K577	A270-S274 WeakPolarHBondContact O-CB 3.43Å; A270-S274 PolarHBondContact O-N 2.91Å; A270-S274 PolarHBondContact O-OG 3.35Å; T271-S274 PolarHBondContact O-N 3.44Å; T271-S274 PolarHBondContact O-OG 3.02Å; T271-S274 VanDerWaalsContact O-OG 3.12Å; S274-L276 PolarHBondContact OG-N 3.38Å; S274-L536 WeakPolarHBondContact OG-CD2 3.35Å; S274-K577 WeakPolarHBondContact O-CE 3.45Å; S274-K577 PolarHBondContact O-NZ 3.16Å
275	G	96.6	Very high	98.2	Very high	56 Å²	56	15.4 Å²	15.4	58%	0.577	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	17.4	-172.7	0	0	0	0	0	114	T271	T271-G275 WeakPolarHBondContact O-CA 3.45Å; T271-G275 PolarHBondContact O-N 3.47Å
276	L	96.9	Very high	98.2	Very high	52 Å²	52	16.6 Å²	16.6	27%	0.272	11%	0.11	S	C	.	.			trans	-98	111.4	177.4	-62.5	174.4	0	0	0	109.7	T271 S274 T279 L536 I573	T271-L276 WeakPolarHBondContact CB-O 3.28Å; T271-L276 WeakPolarHBondContact CG2-O 3.35Å; T271-L276 PolarHBondContact O-N 2.86Å; S274-L276 PolarHBondContact OG-N 3.38Å; L276-T279 HydrophobicContact CB-CG2 3.91Å; L276-T279 HydrophobicContact CD1-CG2 4.39Å; L276-L536 HydrophobicContact CD1-CB 4.13Å; L276-L536 HydrophobicContact CD1-CD1 4.33Å; L276-L536 HydrophobicContact CD1-CD2 4.37Å; L276-L536 HydrophobicContact CD1-CG 4.5Å; L276-I573 HydrophobicContact CD1-CD1 4.34Å
277	S	95.3	Very high	98.2	Very high	72 Å²	72	16.3 Å²	16.3	50%	0.503	11%	0.109	S	C	.	.	S	Bend	trans	-73.5	-33.9	-176.8	65.2	0	0	0	0	114.1	D296	S277-D296 PolarHBondContact O-N 3.14Å
278	S	97.5	Very high	98.2	Very high	19 Å²	19	17 Å²	17	13%	0.133	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	112.9	179.4	-67.1	0	0	0	0	109.6	V294 K530	S278-V294 CarbonylContact C-O 3.55Å; S278-V294 VanDerWaalsContact CA-O 3.31Å; S278-V294 WeakPolarHBondContact CA-O 3.46Å; S278-K530 PolarHBondContact OG-NZ 3.09Å
279	T	98.6	Very high	98.2	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	152.7	-177.7	-173.8	0	0	0	0	112	T271 L276 I281 V294 S534 L536	T271-T279 HydrophobicContact CG2-CG2 3.77Å; L276-T279 HydrophobicContact CB-CG2 3.91Å; L276-T279 HydrophobicContact CD1-CG2 4.39Å; T279-I281 HydrophobicContact CG2-CD1 3.48Å; T279-I281 VanDerWaalsContact CG2-CD1 3.48Å; T279-I281 HydrophobicContact CG2-CG1 4.32Å; T279-V294 PolarHBondContact N-O 2.86Å; T279-V294 PolarHBondContact O-N 3.14Å; T279-S534 WeakPolarHBondContact CB-OG 3.34Å; T279-S534 PolarHBondContact OG1-O 2.91Å; T279-S534 PolarHBondContact OG1-OG 2.88Å; T279-L536 HydrophobicContact CG2-CB 4.3Å; T279-L536 PolarHBondContact OG1-N 2.94Å
280	C	98.8	Very high	98.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.9	167.3	-176.5	0	0	0	0	109.3	I519 M531 S534 I535 L536	C280-I519 HydrophobicContact CB-CD1 4.17Å; C280-I519 HydrophobicContact CB-CG1 4.22Å; C280-M531 HydrophobicContact CB-CB 4.27Å; C280-S534 PolarHBondContact N-O 3.35Å; C280-I535 HydrophobicContact CB-CG1 4.19Å; C280-I535 HydrophobicContact CB-CG2 4.5Å; C280-I535 CarbonylContact O-C 3.54Å; C280-I535 WeakPolarHBondContact O-CA 3.38Å; C280-L536 PolarHBondContact O-N 2.99Å
281	I	98.9	Very high	98.2	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.015	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.2	179.1	-54.3	-63.6	0	0	0	109.9	A270 T271 T279 V291 C292 V294 L536 V538	A270-I281 HydrophobicContact CB-CD1 4.29Å; A270-I281 HydrophobicContact CB-CG2 4.31Å; T271-I281 HydrophobicContact CG2-CD1 3.78Å; T271-I281 HydrophobicContact CG2-CG1 4.24Å; T279-I281 HydrophobicContact CG2-CD1 3.48Å; T279-I281 VanDerWaalsContact CG2-CD1 3.48Å; T279-I281 HydrophobicContact CG2-CG1 4.32Å; I281-V291 VanDerWaalsContact O-CA 3.3Å; I281-V291 WeakPolarHBondContact O-CA 3.34Å; I281-C292 PolarHBondContact N-O 3.21Å; I281-C292 PolarHBondContact O-N 2.81Å; I281-C292 VanDerWaalsContact O-N 3.09Å; I281-V294 HydrophobicContact CG1-CB 4.36Å; I281-V294 HydrophobicContact CG1-CG2 3.75Å; I281-L536 CarbonylContact C-O 3.58Å; I281-L536 HydrophobicContact CD1-CB 4.07Å; I281-L536 HydrophobicContact CD1-CD2 3.75Å; I281-L536 HydrophobicContact CD1-CG 4.34Å; I281-V538 HydrophobicContact CG2-CG2 4.26Å
282	V	98.9	Very high	98.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	98.1	173.4	-174.6	0	0	0	0	108.6	V284 T289 S290 V291 L511 I515 I535 L536 V537 V538	V282-V284 HydrophobicContact CG1-CG2 3.96Å; V282-T289 HydrophobicContact CG1-CG2 4.46Å; V282-S290 CarbonylContact C-O 3.54Å; V282-S290 WeakPolarHBondContact CA-O 3.24Å; V282-V291 HydrophobicContact CG1-CG2 4.4Å; V282-V291 HydrophobicContact CG2-CG1 4.43Å; V282-L511 HydrophobicContact CG1-CD1 3.7Å; V282-I515 HydrophobicContact CG1-CD1 4.41Å; V282-I515 HydrophobicContact CG2-CD1 3.74Å; V282-I515 HydrophobicContact CG2-CG1 3.64Å; V282-I535 HydrophobicContact CG2-CG2 3.92Å; V282-L536 PolarHBondContact N-O 3.36Å; V282-V537 HydrophobicContact CB-CG2 4.23Å; V282-V537 CarbonylContact O-C 3.56Å; V282-V537 WeakPolarHBondContact O-CA 3.46Å; V282-V538 PolarHBondContact O-N 3.29Å
283	D	98.9	Very high	98.2	Very high	14 Å²	14	14.4 Å²	14.4	8%	0.075	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	104.8	176	-177.3	-62	0	0	0	109.5	K288 T289 S290 V538	D283-K288 IonicContact OD1-NZ 3.88Å; D283-K288 PolarHBondContact OD1-NZ 2.86Å; D283-K288 IonicContact OD2-NZ 3.69Å; D283-T289 CarbonylContact O-C 3.5Å; D283-T289 WeakPolarHBondContact O-CA 3.48Å; D283-S290 PolarHBondContact N-O 3.13Å; D283-S290 PolarHBondContact O-N 2.91Å; D283-V538 HydrophobicContact CB-CG2 3.71Å
284	V	98.9	Very high	98.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	101.5	174.8	-167.1	0	0	0	0	108.5	V282 T289 L511 V537 V538 G539 G540 G541 L542	V282-V284 HydrophobicContact CG1-CG2 3.96Å; V284-T289 HydrophobicContact CB-CG2 4.49Å; V284-T289 HydrophobicContact CG2-CG2 3.92Å; V284-L511 HydrophobicContact CG2-CD2 4.27Å; V284-V537 HydrophobicContact CG2-CG1 4.43Å; V284-V538 PolarHBondContact N-O 2.98Å; V284-G539 CarbonylContact O-C 3.58Å; V284-G539 VanDerWaalsContact O-C 3.29Å; V284-G539 WeakPolarHBondContact O-CA 3.41Å; V284-G540 PolarHBondContact O-N 3.47Å; V284-G540 VanDerWaalsContact O-N 3.11Å; V284-G541 WeakPolarHBondContact O-CA 3.44Å; V284-G541 PolarHBondContact O-N 2.85Å; V284-L542 HydrophobicContact CB-CB 4.07Å; V284-L542 HydrophobicContact CG1-CB 4.33Å; V284-L542 HydrophobicContact CG2-CB 3.94Å
285	G	98.6	Very high	98.3	Very high	14 Å²	14	15.3 Å²	15.3	14%	0.144	10%	0.104	C	C	.	.			trans	-87.8	-168.7	176.8	0	0	0	0	0	113.4	K288 G310 G311	G285-K288 WeakPolarHBondContact CA-O 3.42Å; G285-K288 PolarHBondContact N-O 2.9Å; G285-G310 WeakPolarHBondContact O-CA 3.42Å; G285-G311 PolarHBondContact O-N 2.96Å
286	D	98.8	Very high	98.2	Very high	28 Å²	28	18 Å²	18	15%	0.15	11%	0.105	C	C	.	.	S	Bend	trans	-69.6	-34.5	173.4	-173.1	42.5	0	0	0	111.9	T56 W91 G310 G311 S312 Q344	T56-D286 PolarHBondContact OG1-OD2 3.44Å; W91-D286 PolarHBondContact NE1-OD2 3.49Å; W91-D286 VanDerWaalsContact NE1-OD2 3.1Å; D286-G310 CarbonylContact O-C 3.52Å; D286-G310 VanDerWaalsContact O-C 3.27Å; D286-G310 WeakPolarHBondContact O-CA 3.38Å; D286-G311 PolarHBondContact O-N 2.83Å; D286-S312 VanDerWaalsContact O-CB 3.29Å; D286-S312 WeakPolarHBondContact O-CB 3.23Å; D286-S312 PolarHBondContact O-N 2.94Å; D286-S312 PolarHBondContact O-OG 3.29Å; D286-S312 WeakPolarHBondContact OD1-CB 3.42Å; D286-S312 PolarHBondContact OD1-N 2.95Å; D286-Q344 PolarHBondContact OD1-OE1 2.76Å
287	Q	98.8	Very high	98.1	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.019	10%	0.1	C	C	.	.	S	Bend	trans	-131.5	-14.9	-170.6	-59.2	-162.4	-37.9	0	0	115.6	W91 R187 R188 A308 Y309	W91-Q287 PolarHBondContact O-NE2 3.02Å; R187-Q287 VanDerWaalsContact NH2-CD 3.33Å; R188-Q287 HydrophobicContact CB-CB 4.44Å; R188-Q287 HydrophobicContact CG-CB 3.93Å; Q287-A308 CarbonylContact O-C 3.59Å; Q287-Y309 CarbonylContact O-C 3.59Å; Q287-Y309 PolarHBondContact O-N 3.03Å
288	K	98.4	Very high	98.1	Very high	17 Å²	17	16.8 Å²	16.8	7%	0.074	10%	0.1	C	C	.	.			trans	-132.2	155.2	177.8	63.7	83.1	173.1	164.6	0	109.5	E266 D283 G285 S290 L307 Y309	E266-K288 IonicContact OE1-NZ 2.65Å; E266-K288 PolarHBondContact OE1-NZ 3.37Å; E266-K288 IonicContact OE2-NZ 2.75Å; E266-K288 PolarHBondContact OE2-NZ 3.32Å; D283-K288 IonicContact OD1-NZ 3.88Å; D283-K288 PolarHBondContact OD1-NZ 2.86Å; D283-K288 IonicContact OD2-NZ 3.69Å; G285-K288 WeakPolarHBondContact CA-O 3.42Å; G285-K288 PolarHBondContact N-O 2.9Å; K288-S290 PolarHBondContact NZ-OG 2.88Å; K288-L307 CarbonylContact C-O 3.5Å; K288-L307 WeakPolarHBondContact CA-O 3.35Å; K288-Y309 CarbonylContact C-O 2.99Å
289	T	98.9	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.4	169.1	-58.4	0	0	0	0	109.3	V282 D283 V284 V291 C306 L307 Y309 L511	V282-T289 HydrophobicContact CG1-CG2 4.46Å; D283-T289 CarbonylContact O-C 3.5Å; D283-T289 WeakPolarHBondContact O-CA 3.48Å; V284-T289 HydrophobicContact CB-CG2 4.49Å; V284-T289 HydrophobicContact CG2-CG2 3.92Å; T289-V291 HydrophobicContact CG2-CG2 4.48Å; T289-C306 WeakPolarHBondContact O-CA 3.3Å; T289-L307 HydrophobicContact CG2-CD1 4.29Å; T289-L307 PolarHBondContact N-O 3.33Å; T289-L307 PolarHBondContact O-N 2.55Å; T289-Y309 PolarHBondContact N-O 3.19Å; T289-Y309 PolarHBondContact OG1-O 2.93Å; T289-L511 HydrophobicContact CG2-CD1 3.65Å
290	S	98.8	Very high	98.1	Very high	9 Å²	9	18.5 Å²	18.5	6%	0.063	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.7	176.2	-52.3	0	0	0	0	109.7	E266 V282 D283 K288 L305	E266-S290 PolarHBondContact OE1-OG 3.42Å; V282-S290 CarbonylContact C-O 3.54Å; V282-S290 WeakPolarHBondContact CA-O 3.24Å; D283-S290 PolarHBondContact N-O 3.13Å; D283-S290 PolarHBondContact O-N 2.91Å; K288-S290 PolarHBondContact NZ-OG 2.88Å; S290-L305 WeakPolarHBondContact CA-O 3.41Å
291	V	98.8	Very high	97.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.6	171.7	-172.9	0	0	0	0	108.7	I281 V282 T289 R304 L305 L511 A514 I515	I281-V291 VanDerWaalsContact O-CA 3.3Å; I281-V291 WeakPolarHBondContact O-CA 3.34Å; V282-V291 HydrophobicContact CG1-CG2 4.4Å; V282-V291 HydrophobicContact CG2-CG1 4.43Å; T289-V291 HydrophobicContact CG2-CG2 4.48Å; V291-R304 WeakPolarHBondContact O-CA 3.05Å; V291-L305 HydrophobicContact CB-CB 4.24Å; V291-L305 PolarHBondContact N-O 3.21Å; V291-L305 PolarHBondContact O-N 3.48Å; V291-L511 HydrophobicContact CG2-CD1 4.47Å; V291-A514 HydrophobicContact CG2-CB 4.24Å; V291-I515 HydrophobicContact CG1-CG1 4.21Å
292	C	98.6	Very high	97.7	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	155.8	172.9	63.9	0	0	0	0	111.1	D238 S267 I281 R304	D238-C292 VanDerWaalsContact OD2-CB 3.31Å; D238-C292 WeakPolarHBondContact OD2-CB 3.47Å; S267-C292 WeakPolarHBondContact CB-SG 3.45Å; I281-C292 PolarHBondContact N-O 3.21Å; I281-C292 PolarHBondContact O-N 2.81Å; I281-C292 VanDerWaalsContact O-N 3.09Å; C292-R304 HydrophobicContact CB-CB 4.48Å; C292-R304 HydrophobicContact CB-CG 4.08Å
293	C	98.8	Very high	97.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.8	171.7	-60.1	0	0	0	0	110	H300 T303 S518 M531	C293-H300 PolarHBondContact O-N 2.94Å; C293-T303 HydrophobicContact CB-CG2 3.93Å; C293-T303 PolarHBondContact N-OG1 2.85Å; C293-S518 PolarHBondContact SG-OG 3.47Å; C293-M531 HydrophobicContact CB-CE 4.05Å; C293-M531 HydrophobicContact CB-CG 3.85Å; C293-M531 HydrophobicContact CB-SD 3.7Å
294	V	98.6	Very high	97.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.7	176.4	-178.5	0	0	0	0	109.2	V268 T271 S278 T279 I281 V298 M531	V268-V294 HydrophobicContact CG2-CG1 4.18Å; V268-V294 HydrophobicContact CG2-CG2 4.47Å; T271-V294 HydrophobicContact CG2-CB 3.7Å; T271-V294 HydrophobicContact CG2-CG1 3.54Å; T271-V294 HydrophobicContact CG2-CG2 4.24Å; S278-V294 CarbonylContact C-O 3.55Å; S278-V294 VanDerWaalsContact CA-O 3.31Å; S278-V294 WeakPolarHBondContact CA-O 3.46Å; T279-V294 PolarHBondContact N-O 2.86Å; T279-V294 PolarHBondContact O-N 3.14Å; I281-V294 HydrophobicContact CG1-CB 4.36Å; I281-V294 HydrophobicContact CG1-CG2 3.75Å; V294-V298 VanDerWaalsContact CA-O 3.3Å; V294-V298 WeakPolarHBondContact CA-O 3.26Å; V294-M531 WeakPolarHBondContact O-CE 3.49Å
295	E	97.8	Very high	97.6	Very high	33 Å²	33	28.3 Å²	28.3	15%	0.154	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	119.2	178.1	-171	168.2	-162.6	0	0	108.8	G297 V298 H300 T527 K530 M531	E295-G297 VanDerWaalsContact C-N 3.28Å; E295-G297 PolarHBondContact O-N 3.34Å; E295-V298 PolarHBondContact N-O 3.45Å; E295-V298 WeakPolarHBondContact O-CB 3.4Å; E295-V298 PolarHBondContact O-N 3.03Å; E295-H300 WeakPolarHBondContact CB-NE2 3.29Å; E295-H300 IonicContact OE2-CD2 3.83Å; E295-H300 IonicContact OE2-CE1 3.93Å; E295-H300 IonicContact OE2-NE2 2.71Å; E295-H300 PolarHBondContact OE2-NE2 3.3Å; E295-T527 WeakPolarHBondContact OE2-CG2 3.37Å; E295-T527 PolarHBondContact OE2-OG1 3.16Å; E295-K530 WeakPolarHBondContact OE1-CE 3.43Å; E295-K530 IonicContact OE1-NZ 3.12Å; E295-K530 PolarHBondContact OE1-NZ 3.17Å; E295-M531 HydrophobicContact CB-CE 4.03Å
296	D	95	Very high	97.6	Very high	112 Å²	112	28.7 Å²	28.7	60%	0.599	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	44.5	174.7	-55.8	-37.9	0	0	0	113.5	S277	S277-D296 PolarHBondContact O-N 3.14Å
297	G	93.6	Very high	97.6	Very high	15 Å²	15	27.4 Å²	27.4	16%	0.155	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	3.5	179.5	0	0	0	0	0	114.8	V268 E295	V268-G297 VanDerWaalsContact CG1-O 3.29Å; V268-G297 WeakPolarHBondContact CG1-O 3.45Å; E295-G297 VanDerWaalsContact C-N 3.28Å; E295-G297 PolarHBondContact O-N 3.34Å
298	V	97.1	Very high	97.5	Very high	83 Å²	83	27.9 Å²	27.9	50%	0.503	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.3	-178.9	-176.6	0	0	0	0	110.9	V294 E295	V294-V298 VanDerWaalsContact CA-O 3.3Å; V294-V298 WeakPolarHBondContact CA-O 3.26Å; E295-V298 PolarHBondContact N-O 3.45Å; E295-V298 WeakPolarHBondContact O-CB 3.4Å; E295-V298 PolarHBondContact O-N 3.03Å
299	S	98.1	Very high	97.6	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	116.8	167.8	165.6	0	0	0	0	110.3	D238 R301 R304	D238-S299 VanDerWaalsContact CG-OG 3.32Å; D238-S299 WeakPolarHBondContact OD1-CB 3.41Å; D238-S299 PolarHBondContact OD1-OG 2.93Å; D238-S299 PolarHBondContact OD2-OG 3.03Å; S299-R301 PolarHBondContact O-N 3.3Å; S299-R304 PolarHBondContact O-NH2 3.21Å; S299-R304 PolarHBondContact OG-NE 2.93Å; S299-R304 PolarHBondContact OG-NH2 2.87Å
300	H	97.3	Very high	97.6	Very high	53 Å²	53	27.1 Å²	27.1	25%	0.245	15%	0.146	C	C	.	.			trans	-71.6	113.3	-177.6	-70.8	-50.2	0	0	0	111.6	C293 E295 N302 T303 R304	C293-H300 PolarHBondContact O-N 2.94Å; E295-H300 WeakPolarHBondContact CB-NE2 3.29Å; E295-H300 IonicContact OE2-CD2 3.83Å; E295-H300 IonicContact OE2-CE1 3.93Å; E295-H300 IonicContact OE2-NE2 2.71Å; E295-H300 PolarHBondContact OE2-NE2 3.3Å; H300-N302 VanDerWaalsContact C-N 3.29Å; H300-N302 PolarHBondContact O-N 3.3Å; H300-N302 VanDerWaalsContact O-N 3.13Å; H300-T303 HydrophobicContact CB-CG2 3.74Å; H300-T303 WeakPolarHBondContact O-CB 3.18Å; H300-T303 PolarHBondContact O-N 2.9Å; H300-T303 PolarHBondContact O-OG1 3.13Å; H300-R304 WeakPolarHBondContact O-CG 3.45Å
301	R	95.2	Very high	97.6	Very high	82 Å²	82	26.7 Å²	26.7	31%	0.309	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-51	-41.7	-173.6	-68.5	-173.2	-177	-89.3	23	114.6	S299 T303 R304 V623	S299-R301 PolarHBondContact O-N 3.3Å; R301-T303 PolarHBondContact O-N 2.8Å; R301-R304 WeakPolarHBondContact O-CG 3.42Å; R301-R304 PolarHBondContact O-N 3.36Å; R301-V623 VanDerWaalsContact NH2-C 3.31Å; R301-V623 VanDerWaalsContact NH2-CB 3.28Å; R301-V623 PolarHBondContact NH2-O 3.01Å
302	N	94.7	Very high	97.6	Very high	130 Å²	130	26.9 Å²	26.9	70%	0.695	15%	0.145	S	C	*	.	G	3₁₀ helix	trans	-70	-16.9	-176.8	-63.5	-16.9	0	0	0	113.2	H300 C521	H300-N302 VanDerWaalsContact C-N 3.29Å; H300-N302 PolarHBondContact O-N 3.3Å; H300-N302 VanDerWaalsContact O-N 3.13Å; N302-C521 HydrophobicContact CB-CB 4.49Å; N302-C521 WeakPolarHBondContact O-CB 3.3Å
303	T	97.6	Very high	97.6	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.012	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-92	-10.8	-177.8	72.5	0	0	0	0	112.7	C293 H300 R301 L305 S518 C521	C293-T303 HydrophobicContact CB-CG2 3.93Å; C293-T303 PolarHBondContact N-OG1 2.85Å; H300-T303 HydrophobicContact CB-CG2 3.74Å; H300-T303 WeakPolarHBondContact O-CB 3.18Å; H300-T303 PolarHBondContact O-N 2.9Å; H300-T303 PolarHBondContact O-OG1 3.13Å; R301-T303 PolarHBondContact O-N 2.8Å; T303-L305 PolarHBondContact O-N 2.97Å; T303-S518 WeakPolarHBondContact CB-O 3.46Å; T303-S518 WeakPolarHBondContact CG2-O 3.14Å; T303-S518 WeakPolarHBondContact O-CB 3.48Å; T303-S518 PolarHBondContact O-OG 2.96Å; T303-C521 HydrophobicContact CG2-CB 4.26Å
304	R	98.3	Very high	97.6	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.026	15%	0.145	C	C	.	.			trans	-75.2	123.7	-170.1	-51.4	-177.7	179	173.7	-0.8	111.9	D238 I239 Q265 V291 C292 S299 H300 R301 Q409	D238-R304 PolarHBondContact O-NH1 2.88Å; D238-R304 IonicContact OD1-NE 3.19Å; D238-R304 WeakPolarHBondContact OD2-CB 2.99Å; D238-R304 WeakPolarHBondContact OD2-CD 3.47Å; D238-R304 WeakPolarHBondContact OD2-CG 3.39Å; D238-R304 IonicContact OD2-NE 2.69Å; I239-R304 HydrophobicContact CD1-CB 3.97Å; I239-R304 HydrophobicContact CG1-CB 3.83Å; Q265-R304 VanDerWaalsContact NE2-NH2 3.18Å; V291-R304 WeakPolarHBondContact O-CA 3.05Å; C292-R304 HydrophobicContact CB-CB 4.48Å; C292-R304 HydrophobicContact CB-CG 4.08Å; S299-R304 PolarHBondContact O-NH2 3.21Å; S299-R304 PolarHBondContact OG-NE 2.93Å; S299-R304 PolarHBondContact OG-NH2 2.87Å; H300-R304 WeakPolarHBondContact O-CG 3.45Å; R301-R304 WeakPolarHBondContact O-CG 3.42Å; R301-R304 PolarHBondContact O-N 3.36Å; R304-Q409 HydrophobicContact CB-CB 4.21Å
305	L	97.9	Very high	97.6	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.4	173.7	-78.8	151.9	0	0	0	109.1	S290 V291 T303 T406 T407 L408 F504 A514 H517	S290-L305 WeakPolarHBondContact CA-O 3.41Å; V291-L305 HydrophobicContact CB-CB 4.24Å; V291-L305 PolarHBondContact N-O 3.21Å; V291-L305 PolarHBondContact O-N 3.48Å; T303-L305 PolarHBondContact O-N 2.97Å; L305-T406 HydrophobicContact CD2-CG2 3.67Å; L305-T407 WeakPolarHBondContact CA-O 3.31Å; L305-L408 HydrophobicContact CD2-CD2 3.35Å; L305-L408 HydrophobicContact CD2-CG 4.38Å; L305-L408 HydrophobicContact CG-CD2 3.85Å; L305-F504 HydrophobicContact CD2-CE1 4.15Å; L305-F504 HydrophobicContact CD2-CZ 4.3Å; L305-A514 HydrophobicContact CD1-CB 4.32Å; L305-A514 VanDerWaalsContact CD1-O 3.32Å; L305-A514 WeakPolarHBondContact CD1-O 3.49Å; L305-H517 HydrophobicContact CD1-CB 4.28Å
306	C	98.3	Very high	97.7	Very high	22 Å²	22	26 Å²	26	15%	0.149	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119	167.1	-177.6	0	0	0	0	109.3	I239 T289 T406 T407	I239-C306 HydrophobicContact CD1-CB 4.09Å; T289-C306 WeakPolarHBondContact O-CA 3.3Å; C306-T406 CarbonylContact O-C 3.56Å; C306-T407 PolarHBondContact N-O 3.02Å; C306-T407 PolarHBondContact O-N 3.3Å
307	L	98.5	Very high	97.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.3	179.8	-42.6	176.3	0	0	0	108.6	K288 T289 Y309 M405 T406 L509 A514	K288-L307 CarbonylContact C-O 3.5Å; K288-L307 WeakPolarHBondContact CA-O 3.35Å; T289-L307 HydrophobicContact CG2-CD1 4.29Å; T289-L307 PolarHBondContact N-O 3.33Å; T289-L307 PolarHBondContact O-N 2.55Å; L307-Y309 HydrophobicContact CB-CD1 4.01Å; L307-Y309 HydrophobicContact CB-CE1 3.67Å; L307-Y309 HydrophobicContact CD1-CE1 3.96Å; L307-Y309 VanDerWaalsContact CD1-OH 3.32Å; L307-Y309 WeakPolarHBondContact CD1-OH 3.38Å; L307-Y309 HydrophobicContact CG-CE1 4.37Å; L307-Y309 PolarHBondContact O-N 2.6Å; L307-M405 WeakPolarHBondContact CA-O 3.41Å; L307-T406 HydrophobicContact CD2-CG2 3.96Å; L307-L509 HydrophobicContact CD2-CB 4.27Å; L307-A514 HydrophobicContact CD1-CB 3.75Å; L307-A514 HydrophobicContact CD2-CB 4.22Å; L307-A514 HydrophobicContact CG-CB 4.47Å
308	A	98.3	Very high	98.1	Very high	15 Å²	15	20 Å²	20	12%	0.124	11%	0.105	C	C	.	.	S	Bend	trans	-82.3	43.5	-175.3	0	0	0	0	0	112.4	R94 Q287 M405	R94-A308 PolarHBondContact NH1-O 2.89Å; R94-A308 PolarHBondContact NH2-O 2.76Å; Q287-A308 CarbonylContact O-C 3.59Å; A308-M405 PolarHBondContact N-O 3.15Å
309	Y	98.8	Very high	98.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.			trans	-146.1	158.2	172.7	64.7	-100.7	0	0	0	111.8	Q287 K288 T289 L307 D313 L392 P395 F398 L509 L511	Q287-Y309 CarbonylContact O-C 3.59Å; Q287-Y309 PolarHBondContact O-N 3.03Å; K288-Y309 CarbonylContact C-O 2.99Å; T289-Y309 PolarHBondContact N-O 3.19Å; T289-Y309 PolarHBondContact OG1-O 2.93Å; L307-Y309 HydrophobicContact CB-CD1 4.01Å; L307-Y309 HydrophobicContact CB-CE1 3.67Å; L307-Y309 HydrophobicContact CD1-CE1 3.96Å; L307-Y309 VanDerWaalsContact CD1-OH 3.32Å; L307-Y309 WeakPolarHBondContact CD1-OH 3.38Å; L307-Y309 HydrophobicContact CG-CE1 4.37Å; L307-Y309 PolarHBondContact O-N 2.6Å; Y309-D313 WeakPolarHBondContact CA-OD2 3.16Å; Y309-D313 WeakPolarHBondContact CB-OD2 3.28Å; Y309-L392 HydrophobicContact CD2-CD2 3.66Å; Y309-L392 HydrophobicContact CE2-CB 4.45Å; Y309-L392 HydrophobicContact CE2-CD2 3.67Å; Y309-L392 PolarHBondContact OH-O 2.94Å; Y309-P395 HydrophobicContact CD1-CB 3.98Å; Y309-P395 HydrophobicContact CE1-CB 3.72Å; Y309-P395 HydrophobicContact CE1-CG 3.95Å; Y309-F398 HydrophobicContact CD1-CE2 4.46Å; Y309-F398 AromaticContact CD2-CE2 3.72Å; Y309-F398 HydrophobicContact CD2-CE2 3.72Å; Y309-F398 HydrophobicContact CD2-CZ 4.41Å; Y309-F398 HydrophobicContact CE2-CE2 4.38Å; Y309-F398 HydrophobicContact CG-CD2 4.27Å; Y309-F398 AromaticContact CG-CE2 3.76Å; Y309-F398 HydrophobicContact CG-CE2 3.76Å; Y309-L509 WeakPolarHBondContact CE1-O 3.42Å; Y309-L509 PolarHBondContact OH-O 3.21Å; Y309-L511 PolarHBondContact OH-N 3.3Å
310	G	98.8	Very high	98.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.			trans	-165.7	-151.8	179.7	0	0	0	0	0	114	G285 D286 S312 D313 V314	G285-G310 WeakPolarHBondContact O-CA 3.42Å; D286-G310 CarbonylContact O-C 3.52Å; D286-G310 VanDerWaalsContact O-C 3.27Å; D286-G310 WeakPolarHBondContact O-CA 3.38Å; G310-S312 VanDerWaalsContact C-N 3.31Å; G310-S312 PolarHBondContact O-N 3.13Å; G310-D313 PolarHBondContact N-OD2 3.25Å; G310-D313 VanDerWaalsContact N-OD2 3.12Å; G310-D313 PolarHBondContact O-N 3.45Å; G310-V314 PolarHBondContact O-N 2.92Å
311	G	98.8	Very high	98.3	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-57.8	-32.9	-178.1	0	0	0	0	0	115.7	G285 D286 V314 S315	G285-G311 PolarHBondContact O-N 2.96Å; D286-G311 PolarHBondContact O-N 2.83Å; G311-V314 PolarHBondContact O-N 3.25Å; G311-S315 PolarHBondContact O-N 2.69Å; G311-S315 PolarHBondContact O-OG 3.29Å
312	S	98.8	Very high	98.4	Very high	4 Å²	4	12.4 Å²	12.4	3%	0.028	7%	0.065	C	C	.	.	H	α-helix	trans	-66.1	-39.4	176.4	57.8	0	0	0	0	112.3	D286 G310 V314 S315 R316	D286-S312 VanDerWaalsContact O-CB 3.29Å; D286-S312 WeakPolarHBondContact O-CB 3.23Å; D286-S312 PolarHBondContact O-N 2.94Å; D286-S312 PolarHBondContact O-OG 3.29Å; D286-S312 WeakPolarHBondContact OD1-CB 3.42Å; D286-S312 PolarHBondContact OD1-N 2.95Å; G310-S312 VanDerWaalsContact C-N 3.31Å; G310-S312 PolarHBondContact O-N 3.13Å; S312-V314 VanDerWaalsContact C-N 3.31Å; S312-V314 PolarHBondContact O-N 2.97Å; S312-S315 WeakPolarHBondContact O-CB 3.38Å; S312-S315 PolarHBondContact O-N 3.28Å; S312-R316 PolarHBondContact O-N 2.85Å
313	D	98.9	Very high	98.6	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-67	-35.8	175.6	-64.1	-73.3	0	0	0	111.3	R94 Y309 G310 R316 C317 F398	R94-D313 VanDerWaalsContact CD-OD1 3.31Å; R94-D313 WeakPolarHBondContact CD-OD1 3.36Å; R94-D313 IonicContact CZ-OD1 2.73Å; R94-D313 IonicContact NH1-OD1 3.73Å; R94-D313 PolarHBondContact NH1-OD1 2.84Å; R94-D313 VanDerWaalsContact NH1-OD1 3.11Å; R94-D313 IonicContact NH1-OD2 2.84Å; R94-D313 PolarHBondContact NH1-OD2 3.34Å; Y309-D313 WeakPolarHBondContact CA-OD2 3.16Å; Y309-D313 WeakPolarHBondContact CB-OD2 3.28Å; G310-D313 PolarHBondContact N-OD2 3.25Å; G310-D313 VanDerWaalsContact N-OD2 3.12Å; G310-D313 PolarHBondContact O-N 3.45Å; D313-R316 IonicContact OD1-CZ 2.85Å; D313-R316 IonicContact OD1-NH2 3.69Å; D313-R316 PolarHBondContact OD1-NH2 2.96Å; D313-C317 VanDerWaalsContact O-CB 3.24Å; D313-C317 WeakPolarHBondContact O-CB 3.44Å; D313-C317 PolarHBondContact O-N 3.38Å; D313-F398 HydrophobicContact CB-CD1 3.73Å; D313-F398 HydrophobicContact CB-CD2 4.2Å; D313-F398 HydrophobicContact CB-CE1 3.62Å; D313-F398 HydrophobicContact CB-CE2 4.11Å; D313-F398 HydrophobicContact CB-CG 4.03Å; D313-F398 HydrophobicContact CB-CZ 3.82Å; D313-F398 WeakPolarHBondContact O-CE1 3.38Å
314	V	98.9	Very high	98.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.9	-44.5	171.4	-178.6	0	0	0	0	111	G310 G311 S312 R316 C317 F318 K347 A388 P389 L392 F398 F544	G310-V314 PolarHBondContact O-N 2.92Å; G311-V314 PolarHBondContact O-N 3.25Å; S312-V314 VanDerWaalsContact C-N 3.31Å; S312-V314 PolarHBondContact O-N 2.97Å; V314-R316 VanDerWaalsContact C-N 3.34Å; V314-R316 PolarHBondContact O-N 3.1Å; V314-C317 WeakPolarHBondContact O-CB 3.31Å; V314-C317 PolarHBondContact O-N 2.93Å; V314-F318 WeakPolarHBondContact O-CB 3.21Å; V314-F318 PolarHBondContact O-N 3.38Å; V314-K347 HydrophobicContact CB-CD 4.34Å; V314-K347 HydrophobicContact CG1-CD 4.14Å; V314-K347 HydrophobicContact CG1-CG 4.08Å; V314-A388 HydrophobicContact CG1-CB 4.22Å; V314-P389 HydrophobicContact CG1-CG 4.46Å; V314-L392 HydrophobicContact CG2-CD1 4.03Å; V314-L392 HydrophobicContact CG2-CD2 3.74Å; V314-L392 HydrophobicContact CG2-CG 3.68Å; V314-F398 HydrophobicContact CG2-CE1 4.41Å; V314-F398 HydrophobicContact CG2-CZ 4.26Å; V314-F544 HydrophobicContact CG1-CE1 4.5Å; V314-F544 HydrophobicContact CG1-CZ 3.93Å
315	S	98.9	Very high	98.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58.3	-45.3	177.3	-54.1	0	0	0	0	111.5	G311 S312 F318 Y319 Q344 K347	G311-S315 PolarHBondContact O-N 2.69Å; G311-S315 PolarHBondContact O-OG 3.29Å; S312-S315 WeakPolarHBondContact O-CB 3.38Å; S312-S315 PolarHBondContact O-N 3.28Å; S315-F318 PolarHBondContact O-N 2.93Å; S315-Y319 PolarHBondContact O-N 3.34Å; S315-Q344 PolarHBondContact OG-OE1 2.95Å; S315-K347 WeakPolarHBondContact OG-CD 3.48Å
316	R	98.8	Very high	98.6	Very high	14 Å²	14	14.6 Å²	14.6	5%	0.053	7%	0.069	C	C	.	.	H	α-helix	trans	-65.7	-42.2	175.3	175.1	-176.5	48.5	76.3	3.4	112.4	L92 L97 S312 D313 V314 F318 Y319 W320 L334 F398	L92-R316 WeakPolarHBondContact O-CD 3.27Å; L92-R316 PolarHBondContact O-NE 3.48Å; L97-R316 VanDerWaalsContact CD2-CZ 3.43Å; S312-R316 PolarHBondContact O-N 2.85Å; D313-R316 IonicContact OD1-CZ 2.85Å; D313-R316 IonicContact OD1-NH2 3.69Å; D313-R316 PolarHBondContact OD1-NH2 2.96Å; V314-R316 VanDerWaalsContact C-N 3.34Å; V314-R316 PolarHBondContact O-N 3.1Å; R316-F318 VanDerWaalsContact C-N 3.33Å; R316-Y319 PolarHBondContact O-N 2.95Å; R316-W320 PolarHBondContact O-N 3.01Å; R316-L334 HydrophobicContact CG-CD1 4.08Å; R316-F398 PolarHBondContact NH1-O 3.12Å
317	C	98.9	Very high	98.6	Very high	1 Å²	1	14 Å²	14	1%	0.007	6%	0.064	C	C	.	.	H	α-helix	trans	-60.7	-45.6	176.2	-175	0	0	0	0	110.7	D313 V314 Y319 W320 L321 F398	D313-C317 VanDerWaalsContact O-CB 3.24Å; D313-C317 WeakPolarHBondContact O-CB 3.44Å; D313-C317 PolarHBondContact O-N 3.38Å; V314-C317 WeakPolarHBondContact O-CB 3.31Å; V314-C317 PolarHBondContact O-N 2.93Å; C317-Y319 PolarHBondContact O-N 2.73Å; C317-W320 WeakPolarHBondContact O-CB 2.97Å; C317-W320 PolarHBondContact O-N 3Å; C317-L321 WeakPolarHBondContact O-CG 3.38Å; C317-L321 PolarHBondContact O-N 2.92Å; C317-F398 HydrophobicContact CB-CD1 4.27Å; C317-F398 HydrophobicContact CB-CE1 4.23Å
318	F	98.9	Very high	98.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.2	-45.5	177.7	-171.7	-132	0	0	0	111.3	V314 S315 R316 W320 L321 M322 L346 K347 F350 L381 E384 K385 A388	V314-F318 WeakPolarHBondContact O-CB 3.21Å; V314-F318 PolarHBondContact O-N 3.38Å; S315-F318 PolarHBondContact O-N 2.93Å; R316-F318 VanDerWaalsContact C-N 3.33Å; F318-W320 PolarHBondContact O-N 3.43Å; F318-L321 PolarHBondContact O-N 3.06Å; F318-L321 VanDerWaalsContact O-N 3.16Å; F318-M322 HydrophobicContact CD1-CE 3.65Å; F318-M322 HydrophobicContact CD1-CG 4.44Å; F318-M322 HydrophobicContact CD1-SD 3.94Å; F318-M322 HydrophobicContact CD2-CG 4.19Å; F318-M322 HydrophobicContact CE1-CE 3.79Å; F318-M322 HydrophobicContact CE1-CG 4.25Å; F318-M322 HydrophobicContact CE1-SD 3.49Å; F318-M322 WeakPolarHBondContact CE1-SD 3.49Å; F318-M322 HydrophobicContact CE2-CG 3.96Å; F318-M322 HydrophobicContact CE2-SD 4.23Å; F318-M322 HydrophobicContact CG-CE 4.25Å; F318-M322 HydrophobicContact CG-CG 4.42Å; F318-M322 HydrophobicContact CG-SD 4.49Å; F318-M322 HydrophobicContact CZ-CE 4.47Å; F318-M322 HydrophobicContact CZ-CG 4Å; F318-M322 HydrophobicContact CZ-SD 3.65Å; F318-M322 VanDerWaalsContact O-CG 3.29Å; F318-M322 WeakPolarHBondContact O-CG 3.48Å; F318-M322 PolarHBondContact O-N 3.18Å; F318-L346 HydrophobicContact CE1-CB 4.16Å; F318-K347 HydrophobicContact CD1-CB 4.13Å; F318-F350 HydrophobicContact CE1-CB 4.39Å; F318-F350 HydrophobicContact CE1-CD2 4.4Å; F318-F350 HydrophobicContact CZ-CB 4.02Å; F318-F350 HydrophobicContact CZ-CD2 4.42Å; F318-L381 HydrophobicContact CE2-CD1 4.26Å; F318-L381 HydrophobicContact CZ-CD1 3.7Å; F318-E384 HydrophobicContact CD2-CB 4.45Å; F318-E384 HydrophobicContact CE2-CB 4.19Å; F318-K385 HydrophobicContact CE2-CG 4.26Å; F318-K385 HydrophobicContact CZ-CG 4.4Å; F318-A388 HydrophobicContact CB-CB 3.65Å; F318-A388 HydrophobicContact CD2-CB 3.92Å; F318-A388 HydrophobicContact CG-CB 4.19Å
319	Y	98.9	Very high	98.5	Very high	14 Å²	14	14.7 Å²	14.7	6%	0.055	7%	0.065	C	C	.	.	H	α-helix	trans	-54	-50.1	173	177.4	-126.1	0	0	0	112.7	S315 R316 C317 L321 M322 Q323 F327 C332 L334 L343	S315-Y319 PolarHBondContact O-N 3.34Å; R316-Y319 PolarHBondContact O-N 2.95Å; C317-Y319 PolarHBondContact O-N 2.73Å; Y319-L321 VanDerWaalsContact C-N 3.3Å; Y319-L321 PolarHBondContact O-N 3.37Å; Y319-M322 PolarHBondContact O-N 3.06Å; Y319-Q323 HydrophobicContact CD2-CG 4.1Å; Y319-Q323 HydrophobicContact CE1-CG 4.33Å; Y319-Q323 HydrophobicContact CE2-CG 3.66Å; Y319-Q323 VanDerWaalsContact CZ-NE2 3.26Å; Y319-Q323 WeakPolarHBondContact O-CG 3.29Å; Y319-Q323 PolarHBondContact O-N 3.38Å; Y319-Q323 PolarHBondContact OH-NE2 3.11Å; Y319-F327 HydrophobicContact CD2-CD1 4.48Å; Y319-F327 HydrophobicContact CE2-CD1 4.04Å; Y319-F327 HydrophobicContact CE2-CE1 4.31Å; Y319-C332 HydrophobicContact CE2-CB 3.95Å; Y319-C332 PolarHBondContact OH-O 3.12Å; Y319-L334 HydrophobicContact CD1-CD1 4.01Å; Y319-L334 HydrophobicContact CD1-CD2 3.73Å; Y319-L334 HydrophobicContact CD1-CG 3.86Å; Y319-L334 HydrophobicContact CE1-CD1 4.25Å; Y319-L334 HydrophobicContact CE1-CD2 4.24Å; Y319-L334 HydrophobicContact CE1-CG 3.94Å; Y319-L334 HydrophobicContact CG-CD2 4.43Å; Y319-L343 HydrophobicContact CD1-CD1 4.19Å; Y319-L343 HydrophobicContact CD2-CD1 4.18Å; Y319-L343 HydrophobicContact CD2-CD2 3.52Å; Y319-L343 HydrophobicContact CD2-CG 4.5Å; Y319-L343 HydrophobicContact CE2-CD2 4.34Å; Y319-L343 HydrophobicContact CG-CD1 3.84Å; Y319-L343 HydrophobicContact CG-CD2 3.86Å
320	W	98.8	Very high	98.4	Very high	44 Å²	44	21.7 Å²	21.7	17%	0.167	9%	0.091	C	C	.	.	H	α-helix	trans	-58.2	-40.6	178	165	66.5	0	0	0	112.7	R106 L110 R316 C317 F318 R324	R106-W320 HydrophobicContact CG-CE3 4.32Å; R106-W320 HydrophobicContact CG-CH2 3.58Å; R106-W320 HydrophobicContact CG-CZ2 3.81Å; R106-W320 HydrophobicContact CG-CZ3 3.86Å; L110-W320 HydrophobicContact CB-CH2 4.4Å; L110-W320 HydrophobicContact CD2-CH2 3.72Å; L110-W320 HydrophobicContact CD2-CZ3 4.12Å; R316-W320 PolarHBondContact O-N 3.01Å; C317-W320 WeakPolarHBondContact O-CB 2.97Å; C317-W320 PolarHBondContact O-N 3Å; F318-W320 PolarHBondContact O-N 3.43Å; W320-R324 WeakPolarHBondContact O-CG 3.3Å; W320-R324 PolarHBondContact O-N 2.93Å
321	L	98.8	Very high	98.2	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-67.8	-44.6	176	-66.8	175.6	0	0	0	111.8	L110 C317 F318 Y319 Q323 R324 A325 E384 Q387 A388	L110-L321 HydrophobicContact CD1-CD2 4.27Å; L110-L321 HydrophobicContact CD2-CD2 4.08Å; C317-L321 WeakPolarHBondContact O-CG 3.38Å; C317-L321 PolarHBondContact O-N 2.92Å; F318-L321 PolarHBondContact O-N 3.06Å; F318-L321 VanDerWaalsContact O-N 3.16Å; Y319-L321 VanDerWaalsContact C-N 3.3Å; Y319-L321 PolarHBondContact O-N 3.37Å; L321-Q323 VanDerWaalsContact C-N 3.29Å; L321-Q323 PolarHBondContact O-N 3.5Å; L321-R324 WeakPolarHBondContact O-CB 3.45Å; L321-R324 PolarHBondContact O-N 3.1Å; L321-A325 PolarHBondContact O-N 3.31Å; L321-A325 VanDerWaalsContact O-N 3.11Å; L321-E384 HydrophobicContact CB-CB 3.77Å; L321-E384 HydrophobicContact CB-CG 3.72Å; L321-E384 HydrophobicContact CD1-CB 4.26Å; L321-Q387 HydrophobicContact CD1-CB 3.73Å; L321-A388 HydrophobicContact CD1-CB 4.05Å
322	M	98.6	Very high	98.2	Very high	2 Å²	2	27 Å²	27	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-59.6	-39	176.1	-67.9	-167.5	-69.5	0	0	111.8	F318 Y319 R324 A325 G326 F327 L343 L346 F379 L381	F318-M322 HydrophobicContact CD1-CE 3.65Å; F318-M322 HydrophobicContact CD1-CG 4.44Å; F318-M322 HydrophobicContact CD1-SD 3.94Å; F318-M322 HydrophobicContact CD2-CG 4.19Å; F318-M322 HydrophobicContact CE1-CE 3.79Å; F318-M322 HydrophobicContact CE1-CG 4.25Å; F318-M322 HydrophobicContact CE1-SD 3.49Å; F318-M322 WeakPolarHBondContact CE1-SD 3.49Å; F318-M322 HydrophobicContact CE2-CG 3.96Å; F318-M322 HydrophobicContact CE2-SD 4.23Å; F318-M322 HydrophobicContact CG-CE 4.25Å; F318-M322 HydrophobicContact CG-CG 4.42Å; F318-M322 HydrophobicContact CG-SD 4.49Å; F318-M322 HydrophobicContact CZ-CE 4.47Å; F318-M322 HydrophobicContact CZ-CG 4Å; F318-M322 HydrophobicContact CZ-SD 3.65Å; F318-M322 VanDerWaalsContact O-CG 3.29Å; F318-M322 WeakPolarHBondContact O-CG 3.48Å; F318-M322 PolarHBondContact O-N 3.18Å; Y319-M322 PolarHBondContact O-N 3.06Å; M322-R324 VanDerWaalsContact C-N 3.29Å; M322-R324 PolarHBondContact O-N 3.16Å; M322-A325 CarbonylContact O-C 3.58Å; M322-A325 WeakPolarHBondContact O-CA 3.43Å; M322-A325 PolarHBondContact O-N 3.06Å; M322-A325 VanDerWaalsContact O-N 3.13Å; M322-G326 PolarHBondContact O-N 2.9Å; M322-F327 HydrophobicContact CB-CB 4.01Å; M322-F327 HydrophobicContact CB-CD2 4.11Å; M322-F327 HydrophobicContact CB-CG 4.23Å; M322-F327 HydrophobicContact CE-CD2 4.44Å; M322-F327 HydrophobicContact CE-CE2 4.32Å; M322-F327 WeakPolarHBondContact O-CB 3.49Å; M322-F327 PolarHBondContact O-N 3.47Å; M322-F327 HydrophobicContact SD-CD2 4.05Å; M322-F327 HydrophobicContact SD-CE2 4.16Å; M322-L343 HydrophobicContact CE-CD2 4.1Å; M322-L346 HydrophobicContact CE-CB 4.46Å; M322-L346 HydrophobicContact CE-CD1 3.97Å; M322-L346 HydrophobicContact SD-CD1 4.47Å; M322-F379 HydrophobicContact SD-CE2 3.92Å; M322-F379 HydrophobicContact SD-CZ 4.25Å; M322-L381 HydrophobicContact CG-CD2 3.98Å
323	Q	98.3	Very high	98.1	Very high	96 Å²	96	31.8 Å²	31.8	45%	0.449	14%	0.139	S	C	.	.	H	α-helix	trans	-59.4	-40.4	175	-72.3	179.7	-58.7	0	0	111.9	Y319 L321 A325 G326	Y319-Q323 HydrophobicContact CD2-CG 4.1Å; Y319-Q323 HydrophobicContact CE1-CG 4.33Å; Y319-Q323 HydrophobicContact CE2-CG 3.66Å; Y319-Q323 VanDerWaalsContact CZ-NE2 3.26Å; Y319-Q323 WeakPolarHBondContact O-CG 3.29Å; Y319-Q323 PolarHBondContact O-N 3.38Å; Y319-Q323 PolarHBondContact OH-NE2 3.11Å; L321-Q323 VanDerWaalsContact C-N 3.29Å; L321-Q323 PolarHBondContact O-N 3.5Å; Q323-A325 VanDerWaalsContact C-N 3.3Å; Q323-A325 PolarHBondContact O-N 3.46Å; Q323-G326 PolarHBondContact O-N 3.42Å
324	R	97.8	Very high	98.1	Very high	84 Å²	84	33.4 Å²	33.4	32%	0.317	15%	0.147	S	C	.	.	H	α-helix	trans	-65.4	-34.8	176	-66.1	167.7	61.1	-162	-3.8	112.3	R137 W320 L321 M322 G326	R137-R324 PolarHBondContact NH1-O 2.98Å; W320-R324 WeakPolarHBondContact O-CG 3.3Å; W320-R324 PolarHBondContact O-N 2.93Å; L321-R324 WeakPolarHBondContact O-CB 3.45Å; L321-R324 PolarHBondContact O-N 3.1Å; M322-R324 VanDerWaalsContact C-N 3.29Å; M322-R324 PolarHBondContact O-N 3.16Å; R324-G326 PolarHBondContact O-N 3.48Å
325	A	98.1	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	4.1	171.6	0	0	0	0	0	113.6	A136 R137 N140 L321 M322 Q323	A136-A325 HydrophobicContact CB-CB 4.17Å; R137-A325 WeakPolarHBondContact CA-O 3.4Å; R137-A325 PolarHBondContact N-O 3.07Å; N140-A325 PolarHBondContact ND2-O 3.05Å; L321-A325 PolarHBondContact O-N 3.31Å; L321-A325 VanDerWaalsContact O-N 3.11Å; M322-A325 CarbonylContact O-C 3.58Å; M322-A325 WeakPolarHBondContact O-CA 3.43Å; M322-A325 PolarHBondContact O-N 3.06Å; M322-A325 VanDerWaalsContact O-N 3.13Å; Q323-A325 VanDerWaalsContact C-N 3.3Å; Q323-A325 PolarHBondContact O-N 3.46Å
326	G	98.1	Very high	97.9	Very high	7 Å²	7	39.9 Å²	39.9	7%	0.072	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	39.3	175.4	0	0	0	0	0	115.5	N140 M322 Q323 R324	N140-G326 VanDerWaalsContact CB-O 3.24Å; N140-G326 WeakPolarHBondContact CB-O 3.4Å; M322-G326 PolarHBondContact O-N 2.9Å; Q323-G326 PolarHBondContact O-N 3.42Å; R324-G326 PolarHBondContact O-N 3.48Å
327	F	98.3	Very high	97.9	Very high	9 Å²	9	40.1 Å²	40.1	4%	0.039	19%	0.186	C	C	.	.			trans	-40.1	124.5	176.5	-172.3	-122.1	0	0	0	112.7	Y319 M322 Y329 C332 L346 F365 F379	Y319-F327 HydrophobicContact CD2-CD1 4.48Å; Y319-F327 HydrophobicContact CE2-CD1 4.04Å; Y319-F327 HydrophobicContact CE2-CE1 4.31Å; M322-F327 HydrophobicContact CB-CB 4.01Å; M322-F327 HydrophobicContact CB-CD2 4.11Å; M322-F327 HydrophobicContact CB-CG 4.23Å; M322-F327 HydrophobicContact CE-CD2 4.44Å; M322-F327 HydrophobicContact CE-CE2 4.32Å; M322-F327 WeakPolarHBondContact O-CB 3.49Å; M322-F327 PolarHBondContact O-N 3.47Å; M322-F327 HydrophobicContact SD-CD2 4.05Å; M322-F327 HydrophobicContact SD-CE2 4.16Å; F327-Y329 WeakPolarHBondContact CD1-O 3.18Å; F327-Y329 AromaticContact CE1-CD1 3.98Å; F327-Y329 HydrophobicContact CE1-CD1 3.98Å; F327-Y329 HydrophobicContact CE1-CG 4.3Å; F327-Y329 WeakPolarHBondContact CE1-O 3.16Å; F327-Y329 HydrophobicContact CZ-CD1 4.43Å; F327-Y329 PolarHBondContact O-N 3.14Å; F327-C332 HydrophobicContact CE1-CB 4.24Å; F327-L346 HydrophobicContact CE2-CD1 3.82Å; F327-L346 HydrophobicContact CZ-CD1 3.72Å; F327-F365 AromaticContact CE2-CE1 3.72Å; F327-F365 HydrophobicContact CE2-CE1 3.72Å; F327-F365 HydrophobicContact CE2-CE2 4.39Å; F327-F365 AromaticContact CE2-CZ 3.54Å; F327-F365 HydrophobicContact CE2-CZ 3.54Å; F327-F365 HydrophobicContact CZ-CE1 4.31Å; F327-F365 HydrophobicContact CZ-CE2 4.19Å; F327-F365 AromaticContact CZ-CZ 3.66Å; F327-F365 HydrophobicContact CZ-CZ 3.66Å; F327-F379 HydrophobicContact CD2-CD2 4.37Å; F327-F379 HydrophobicContact CD2-CE2 4.16Å; F327-F379 HydrophobicContact CE2-CE2 4.46Å
328	P	97.4	Very high	97.8	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.058	19%	0.188	C	C	.	.	S	Bend	trans	-78.4	-19.8	-165.6	31.5	-38.8	0	0	0	114.6	R330 F365 Y377 F379	P328-R330 PolarHBondContact O-N 2.84Å; P328-F365 HydrophobicContact CG-CE1 4.14Å; P328-F365 HydrophobicContact CG-CZ 4.33Å; P328-Y377 HydrophobicContact CB-CD1 3.66Å; P328-Y377 HydrophobicContact CB-CE1 4.06Å; P328-Y377 HydrophobicContact CG-CD1 3.58Å; P328-Y377 HydrophobicContact CG-CE1 4.33Å; P328-Y377 HydrophobicContact CG-CG 4.24Å; P328-F379 HydrophobicContact CG-CB 4.06Å
329	Y	97.3	Very high	97.8	Very high	21 Å²	21	40.5 Å²	40.5	8%	0.082	19%	0.188	C	C	.	.			trans	-88.2	96.4	171.8	175.5	-128.6	0	0	0	109.5	F327 E331 C332 D339 L342 I367	F327-Y329 WeakPolarHBondContact CD1-O 3.18Å; F327-Y329 AromaticContact CE1-CD1 3.98Å; F327-Y329 HydrophobicContact CE1-CD1 3.98Å; F327-Y329 HydrophobicContact CE1-CG 4.3Å; F327-Y329 WeakPolarHBondContact CE1-O 3.16Å; F327-Y329 HydrophobicContact CZ-CD1 4.43Å; F327-Y329 PolarHBondContact O-N 3.14Å; Y329-E331 HydrophobicContact CD2-CG 3.85Å; Y329-E331 VanDerWaalsContact CD2-OE1 3.29Å; Y329-E331 WeakPolarHBondContact CD2-OE1 3.39Å; Y329-E331 HydrophobicContact CE2-CG 3.3Å; Y329-E331 WeakPolarHBondContact CE2-OE1 3.48Å; Y329-C332 HydrophobicContact CD1-CB 3.49Å; Y329-C332 VanDerWaalsContact CD1-CB 3.49Å; Y329-C332 HydrophobicContact CE1-CB 3.52Å; Y329-C332 HydrophobicContact CG-CB 4.33Å; Y329-D339 VanDerWaalsContact CE1-OD1 3.28Å; Y329-D339 WeakPolarHBondContact CE1-OD1 3.37Å; Y329-D339 PolarHBondContact OH-OD1 2.83Å; Y329-L342 HydrophobicContact CD1-CD2 3.77Å; Y329-L342 HydrophobicContact CE1-CD2 3.92Å; Y329-I367 HydrophobicContact CD1-CD1 3.67Å; Y329-I367 HydrophobicContact CD2-CD1 3.69Å; Y329-I367 HydrophobicContact CE1-CD1 4.02Å; Y329-I367 HydrophobicContact CE2-CD1 4Å; Y329-I367 HydrophobicContact CG-CD1 3.53Å
330	R	95.5	Very high	97.8	Very high	146 Å²	146	40 Å²	40	55%	0.551	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-23.1	-161.6	-66.1	166.8	-170.1	164.7	4.3	113.2	K141 P328 C332	K141-R330 PolarHBondContact O-NH2 3.02Å; P328-R330 PolarHBondContact O-N 2.84Å; R330-C332 VanDerWaalsContact C-N 3.27Å
331	E	95.7	Very high	97.7	Very high	107 Å²	107	40.1 Å²	40.1	50%	0.5	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	2.5	-178.7	61.2	-86.8	-155.2	0	0	113.1	Y329 Q333	Y329-E331 HydrophobicContact CD2-CG 3.85Å; Y329-E331 VanDerWaalsContact CD2-OE1 3.29Å; Y329-E331 WeakPolarHBondContact CD2-OE1 3.39Å; Y329-E331 HydrophobicContact CE2-CG 3.3Å; Y329-E331 WeakPolarHBondContact CE2-OE1 3.48Å; E331-Q333 WeakPolarHBondContact O-CG 3.35Å; E331-Q333 PolarHBondContact O-N 2.85Å; E331-Q333 PolarHBondContact O-NE2 3.3Å
332	C	97.8	Very high	97.7	Very high	7 Å²	7	40.6 Å²	40.6	5%	0.047	19%	0.193	C	C	.	.			trans	-58.2	128.3	177.7	-167	0	0	0	0	112.3	Y319 F327 Y329 R330	Y319-C332 HydrophobicContact CE2-CB 3.95Å; Y319-C332 PolarHBondContact OH-O 3.12Å; F327-C332 HydrophobicContact CE1-CB 4.24Å; Y329-C332 HydrophobicContact CD1-CB 3.49Å; Y329-C332 VanDerWaalsContact CD1-CB 3.49Å; Y329-C332 HydrophobicContact CE1-CB 3.52Å; Y329-C332 HydrophobicContact CG-CB 4.33Å; R330-C332 VanDerWaalsContact C-N 3.27Å
333	Q	97.9	Very high	97.7	Very high	104 Å²	104	40.5 Å²	40.5	49%	0.486	19%	0.192	S	C	.	.			trans	-127.5	129.2	-176.3	-73.1	160.3	72.2	0	0	111.8	E331 T335 N336 D339	E331-Q333 WeakPolarHBondContact O-CG 3.35Å; E331-Q333 PolarHBondContact O-N 2.85Å; E331-Q333 PolarHBondContact O-NE2 3.3Å; Q333-T335 PolarHBondContact O-N 3.16Å; Q333-T335 VanDerWaalsContact O-N 3.11Å; Q333-N336 HydrophobicContact CB-CB 4.14Å; Q333-N336 PolarHBondContact O-N 3.02Å; Q333-D339 PolarHBondContact N-OD2 3.35Å; Q333-D339 WeakPolarHBondContact O-CB 3.31Å
334	L	98	Very high	97.8	Very high	34 Å²	34	37 Å²	37	18%	0.178	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-6.8	177.2	-65.7	170.8	0	0	0	114.1	L92 L93 R316 Y319 C340 L343	L92-L334 HydrophobicContact CB-CD2 4.05Å; L92-L334 HydrophobicContact CD1-CD2 3.94Å; L93-L334 HydrophobicContact CD1-CB 4.18Å; L93-L334 HydrophobicContact CD2-CB 3.86Å; L93-L334 HydrophobicContact CD2-CD1 3.66Å; L93-L334 HydrophobicContact CD2-CG 4.42Å; L93-L334 HydrophobicContact CG-CB 3.73Å; L93-L334 HydrophobicContact CG-CD1 4.45Å; R316-L334 HydrophobicContact CG-CD1 4.08Å; Y319-L334 HydrophobicContact CD1-CD1 4.01Å; Y319-L334 HydrophobicContact CD1-CD2 3.73Å; Y319-L334 HydrophobicContact CD1-CG 3.86Å; Y319-L334 HydrophobicContact CE1-CD1 4.25Å; Y319-L334 HydrophobicContact CE1-CD2 4.24Å; Y319-L334 HydrophobicContact CE1-CG 3.94Å; Y319-L334 HydrophobicContact CG-CD2 4.43Å; L334-C340 PolarHBondContact O-SG 3.4Å; L334-L343 HydrophobicContact CD2-CD1 3.4Å; L334-L343 VanDerWaalsContact CD2-CD1 3.4Å
335	T	97.1	Very high	97.8	Very high	94 Å²	94	37.5 Å²	37.5	58%	0.577	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-13.6	172.6	49.9	0	0	0	0	112.6	L93 Q333	L93-T335 HydrophobicContact CD1-CG2 3.64Å; Q333-T335 PolarHBondContact O-N 3.16Å; Q333-T335 VanDerWaalsContact O-N 3.11Å
336	N	97.4	Very high	97.8	Very high	43 Å²	43	37.5 Å²	37.5	23%	0.23	18%	0.182	C	C	.	.			trans	-91	130.6	179.6	-175.8	-47.3	0	0	0	110.1	Q333 M338 D339 C340	Q333-N336 HydrophobicContact CB-CB 4.14Å; Q333-N336 PolarHBondContact O-N 3.02Å; N336-M338 WeakPolarHBondContact OD1-CB 3.38Å; N336-M338 PolarHBondContact OD1-N 2.67Å; N336-D339 HydrophobicContact CB-CB 4.01Å; N336-D339 WeakPolarHBondContact CB-OD2 3.3Å; N336-D339 PolarHBondContact O-N 3.11Å; N336-D339 PolarHBondContact OD1-N 3.1Å; N336-C340 PolarHBondContact O-N 3.31Å; N336-C340 PolarHBondContact O-SG 3.41Å
337	K	97.2	Very high	97.9	Very high	18 Å²	18	37.5 Å²	37.5	8%	0.078	18%	0.18	C	C	.	.	H	α-helix	trans	-68.1	-39.4	-175.5	-65.4	156.6	-71.7	165.6	0	112.8	V174 I182 C340 L341	V174-K337 PolarHBondContact O-NZ 3.01Å; I182-K337 HydrophobicContact CG1-CD 4.25Å; K337-C340 PolarHBondContact O-N 2.61Å; K337-L341 WeakPolarHBondContact O-CG 3.46Å; K337-L341 PolarHBondContact O-N 2.78Å
338	M	97.8	Very high	97.9	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.039	20%	0.203	C	C	.	.	H	α-helix	trans	-66.9	-43.5	178.8	-61.9	-62	99.2	0	0	110.2	W156 L172 Y173 N336 C340 L341 L342	W156-M338 HydrophobicContact CH2-CG 3.85Å; W156-M338 HydrophobicContact CZ3-CG 3.94Å; W156-M338 HydrophobicContact CZ3-SD 4.15Å; L172-M338 VanDerWaalsContact O-CE 3.28Å; L172-M338 WeakPolarHBondContact O-CE 3.5Å; Y173-M338 HydrophobicContact CD1-CE 4.44Å; Y173-M338 HydrophobicContact CD1-SD 4.22Å; Y173-M338 HydrophobicContact CD2-CE 4.4Å; Y173-M338 HydrophobicContact CE1-SD 4.05Å; Y173-M338 HydrophobicContact CE2-CE 4.5Å; Y173-M338 HydrophobicContact CG-CE 4.38Å; N336-M338 WeakPolarHBondContact OD1-CB 3.38Å; N336-M338 PolarHBondContact OD1-N 2.67Å; M338-C340 VanDerWaalsContact C-N 3.34Å; M338-C340 PolarHBondContact O-N 2.78Å; M338-L341 HydrophobicContact CE-CD1 3.68Å; M338-L341 WeakPolarHBondContact O-CB 3.31Å; M338-L341 PolarHBondContact O-N 3.26Å; M338-L341 HydrophobicContact SD-CD1 4.44Å; M338-L342 PolarHBondContact O-N 2.95Å
339	D	98.4	Very high	97.9	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-41	173.4	-64.4	-17	0	0	0	111.6	Y329 Q333 N336 L341 L342 L343 H369	Y329-D339 VanDerWaalsContact CE1-OD1 3.28Å; Y329-D339 WeakPolarHBondContact CE1-OD1 3.37Å; Y329-D339 PolarHBondContact OH-OD1 2.83Å; Q333-D339 PolarHBondContact N-OD2 3.35Å; Q333-D339 WeakPolarHBondContact O-CB 3.31Å; N336-D339 HydrophobicContact CB-CB 4.01Å; N336-D339 WeakPolarHBondContact CB-OD2 3.3Å; N336-D339 PolarHBondContact O-N 3.11Å; N336-D339 PolarHBondContact OD1-N 3.1Å; D339-L341 VanDerWaalsContact C-N 3.33Å; D339-L341 PolarHBondContact O-N 2.88Å; D339-L342 WeakPolarHBondContact O-CB 3.45Å; D339-L342 PolarHBondContact O-N 2.93Å; D339-L343 VanDerWaalsContact O-CG 3.25Å; D339-L343 WeakPolarHBondContact O-CG 3.48Å; D339-L343 PolarHBondContact O-N 2.88Å; D339-H369 IonicContact OD1-CE1 2.7Å; D339-H369 PolarHBondContact OD1-CE1 3.49Å; D339-H369 VanDerWaalsContact OD1-CE1 3.24Å; D339-H369 IonicContact OD1-ND1 3.74Å
340	C	98.6	Very high	98	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.02	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-40.1	175.6	-68.9	0	0	0	0	112.5	W91 L92 L334 N336 K337 M338 L343 Q344	W91-C340 HydrophobicContact CD2-CB 4.31Å; W91-C340 HydrophobicContact CE3-CB 3.65Å; W91-C340 HydrophobicContact CZ3-CB 3.89Å; L92-C340 HydrophobicContact CD1-CB 3.84Å; L92-C340 HydrophobicContact CG-CB 4.03Å; L334-C340 PolarHBondContact O-SG 3.4Å; N336-C340 PolarHBondContact O-N 3.31Å; N336-C340 PolarHBondContact O-SG 3.41Å; K337-C340 PolarHBondContact O-N 2.61Å; M338-C340 VanDerWaalsContact C-N 3.34Å; M338-C340 PolarHBondContact O-N 2.78Å; C340-L343 PolarHBondContact O-N 3.21Å; C340-Q344 VanDerWaalsContact O-CG 3.31Å; C340-Q344 WeakPolarHBondContact O-CG 3.35Å; C340-Q344 PolarHBondContact O-N 3.23Å
341	L	98.4	Very high	98.2	Very high	47 Å²	47	39 Å²	39	25%	0.246	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-44.6	174	-71.3	169.1	0	0	0	111	W91 L172 K337 M338 D339 L343 Q344 H345	W91-L341 HydrophobicContact CH2-CD2 3.72Å; W91-L341 HydrophobicContact CH2-CG 4.29Å; W91-L341 HydrophobicContact CZ3-CD2 4.15Å; W91-L341 HydrophobicContact CZ3-CG 4.25Å; L172-L341 HydrophobicContact CD1-CD2 4.36Å; K337-L341 WeakPolarHBondContact O-CG 3.46Å; K337-L341 PolarHBondContact O-N 2.78Å; M338-L341 HydrophobicContact CE-CD1 3.68Å; M338-L341 WeakPolarHBondContact O-CB 3.31Å; M338-L341 PolarHBondContact O-N 3.26Å; M338-L341 HydrophobicContact SD-CD1 4.44Å; D339-L341 VanDerWaalsContact C-N 3.33Å; D339-L341 PolarHBondContact O-N 2.88Å; L341-L343 PolarHBondContact O-N 2.88Å; L341-Q344 PolarHBondContact O-N 2.84Å; L341-H345 WeakPolarHBondContact O-CB 3.22Å; L341-H345 PolarHBondContact O-N 3.09Å
342	L	98.6	Very high	98.3	Very high	12 Å²	12	34.4 Å²	34.4	6%	0.063	18%	0.177	C	C	.	.	H	α-helix	trans	-56.8	-49.3	173.8	173.8	65	0	0	0	111	Y329 M338 D339 Q344 H345 L346 F365 I367	Y329-L342 HydrophobicContact CD1-CD2 3.77Å; Y329-L342 HydrophobicContact CE1-CD2 3.92Å; M338-L342 PolarHBondContact O-N 2.95Å; D339-L342 WeakPolarHBondContact O-CB 3.45Å; D339-L342 PolarHBondContact O-N 2.93Å; L342-Q344 VanDerWaalsContact C-N 3.33Å; L342-Q344 PolarHBondContact O-N 2.86Å; L342-H345 WeakPolarHBondContact O-CB 3.07Å; L342-H345 PolarHBondContact O-N 3.04Å; L342-H345 VanDerWaalsContact O-N 3.13Å; L342-L346 HydrophobicContact CD1-CD1 4.09Å; L342-L346 HydrophobicContact CD1-CD2 4.13Å; L342-L346 HydrophobicContact CD1-CG 3.96Å; L342-L346 HydrophobicContact CG-CD1 3.96Å; L342-L346 HydrophobicContact CG-CG 4.23Å; L342-L346 VanDerWaalsContact O-CG 3.28Å; L342-L346 WeakPolarHBondContact O-CG 3.49Å; L342-L346 PolarHBondContact O-N 2.6Å; L342-F365 HydrophobicContact CD1-CD2 3.95Å; L342-F365 HydrophobicContact CD1-CE2 4.27Å; L342-F365 HydrophobicContact CD2-CE2 4.35Å; L342-I367 HydrophobicContact CD1-CG1 4.38Å; L342-I367 HydrophobicContact CD2-CD1 3.83Å; L342-I367 HydrophobicContact CD2-CG1 3.97Å
343	L	98.9	Very high	98.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.3	-35.7	-178	-66.7	176.9	0	0	0	113.2	L92 Y319 M322 L334 D339 C340 L341 L346 K347	L92-L343 HydrophobicContact CD1-CB 4.07Å; L92-L343 HydrophobicContact CD1-CD1 3.95Å; Y319-L343 HydrophobicContact CD1-CD1 4.19Å; Y319-L343 HydrophobicContact CD2-CD1 4.18Å; Y319-L343 HydrophobicContact CD2-CD2 3.52Å; Y319-L343 HydrophobicContact CD2-CG 4.5Å; Y319-L343 HydrophobicContact CE2-CD2 4.34Å; Y319-L343 HydrophobicContact CG-CD1 3.84Å; Y319-L343 HydrophobicContact CG-CD2 3.86Å; M322-L343 HydrophobicContact CE-CD2 4.1Å; L334-L343 HydrophobicContact CD2-CD1 3.4Å; L334-L343 VanDerWaalsContact CD2-CD1 3.4Å; D339-L343 VanDerWaalsContact O-CG 3.25Å; D339-L343 WeakPolarHBondContact O-CG 3.48Å; D339-L343 PolarHBondContact O-N 2.88Å; C340-L343 PolarHBondContact O-N 3.21Å; L341-L343 PolarHBondContact O-N 2.88Å; L343-L346 HydrophobicContact CD2-CD1 4.34Å; L343-K347 WeakPolarHBondContact O-CB 3.46Å; L343-K347 PolarHBondContact O-N 2.86Å; L343-K347 VanDerWaalsContact O-N 3.11Å
344	Q	98.6	Very high	98.4	Very high	23 Å²	23	30.1 Å²	30.1	11%	0.107	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-47.6	171.4	-72.1	-114.7	83.7	0	0	111.2	W91 D286 S315 C340 L341 L342 K347 E348	W91-Q344 HydrophobicContact CZ2-CG 4.47Å; D286-Q344 PolarHBondContact OD1-OE1 2.76Å; S315-Q344 PolarHBondContact OG-OE1 2.95Å; C340-Q344 VanDerWaalsContact O-CG 3.31Å; C340-Q344 WeakPolarHBondContact O-CG 3.35Å; C340-Q344 PolarHBondContact O-N 3.23Å; L341-Q344 PolarHBondContact O-N 2.84Å; L342-Q344 VanDerWaalsContact C-N 3.33Å; L342-Q344 PolarHBondContact O-N 2.86Å; Q344-K347 PolarHBondContact O-N 2.83Å; Q344-K347 VanDerWaalsContact OE1-NZ 3.1Å; Q344-E348 PolarHBondContact O-N 2.93Å
345	H	98.7	Very high	98.4	Very high	94 Å²	94	28.8 Å²	28.8	44%	0.435	15%	0.15	S	C	.	.	H	α-helix	trans	-61.4	-44.9	178.2	173	61.1	0	0	0	112.4	L341 L342 K347 E348 T349	L341-H345 WeakPolarHBondContact O-CB 3.22Å; L341-H345 PolarHBondContact O-N 3.09Å; L342-H345 WeakPolarHBondContact O-CB 3.07Å; L342-H345 PolarHBondContact O-N 3.04Å; L342-H345 VanDerWaalsContact O-N 3.13Å; H345-K347 VanDerWaalsContact C-N 3.34Å; H345-K347 PolarHBondContact O-N 2.82Å; H345-E348 PolarHBondContact O-N 2.73Å; H345-T349 PolarHBondContact CE1-OG1 2.84Å; H345-T349 VanDerWaalsContact CE1-OG1 3.25Å; H345-T349 WeakPolarHBondContact O-CB 3.32Å; H345-T349 PolarHBondContact O-N 3.11Å; H345-T349 PolarHBondContact O-OG1 2.93Å
346	L	98.8	Very high	98.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-42.3	177.6	-64.1	175.5	0	0	0	111.4	F318 M322 F327 L342 L343 T349 F350 F365	F318-L346 HydrophobicContact CE1-CB 4.16Å; M322-L346 HydrophobicContact CE-CB 4.46Å; M322-L346 HydrophobicContact CE-CD1 3.97Å; M322-L346 HydrophobicContact SD-CD1 4.47Å; F327-L346 HydrophobicContact CE2-CD1 3.82Å; F327-L346 HydrophobicContact CZ-CD1 3.72Å; L342-L346 HydrophobicContact CD1-CD1 4.09Å; L342-L346 HydrophobicContact CD1-CD2 4.13Å; L342-L346 HydrophobicContact CD1-CG 3.96Å; L342-L346 HydrophobicContact CG-CD1 3.96Å; L342-L346 HydrophobicContact CG-CG 4.23Å; L342-L346 VanDerWaalsContact O-CG 3.28Å; L342-L346 WeakPolarHBondContact O-CG 3.49Å; L342-L346 PolarHBondContact O-N 2.6Å; L343-L346 HydrophobicContact CD2-CD1 4.34Å; L346-T349 PolarHBondContact O-N 2.79Å; L346-F350 HydrophobicContact CB-CD2 4.3Å; L346-F350 HydrophobicContact CB-CE2 4.44Å; L346-F350 HydrophobicContact CD2-CD2 4.32Å; L346-F350 HydrophobicContact CD2-CE2 3.62Å; L346-F350 HydrophobicContact CD2-CZ 4.48Å; L346-F350 WeakPolarHBondContact O-CB 3.42Å; L346-F350 WeakPolarHBondContact O-CD2 3.37Å; L346-F350 PolarHBondContact O-N 2.81Å; L346-F365 HydrophobicContact CD2-CB 3.48Å; L346-F365 VanDerWaalsContact CD2-CB 3.48Å; L346-F365 HydrophobicContact CD2-CD1 4.06Å; L346-F365 HydrophobicContact CD2-CD2 3.83Å; L346-F365 HydrophobicContact CD2-CG 3.53Å
347	K	98.8	Very high	98.4	Very high	7 Å²	7	28 Å²	28	3%	0.03	14%	0.142	C	C	.	.	H	α-helix	trans	-59.8	-52	173.4	171	-138.7	62.2	-155.9	0	110.6	V314 S315 F318 L343 Q344 H345 T349 F350 C351 F544	V314-K347 HydrophobicContact CB-CD 4.34Å; V314-K347 HydrophobicContact CG1-CD 4.14Å; V314-K347 HydrophobicContact CG1-CG 4.08Å; S315-K347 WeakPolarHBondContact OG-CD 3.48Å; F318-K347 HydrophobicContact CD1-CB 4.13Å; L343-K347 WeakPolarHBondContact O-CB 3.46Å; L343-K347 PolarHBondContact O-N 2.86Å; L343-K347 VanDerWaalsContact O-N 3.11Å; Q344-K347 PolarHBondContact O-N 2.83Å; Q344-K347 VanDerWaalsContact OE1-NZ 3.1Å; H345-K347 VanDerWaalsContact C-N 3.34Å; H345-K347 PolarHBondContact O-N 2.82Å; K347-T349 PolarHBondContact O-N 3.49Å; K347-F350 PolarHBondContact O-N 2.91Å; K347-C351 HydrophobicContact CG-CB 4.3Å; K347-C351 WeakPolarHBondContact O-CB 3.26Å; K347-C351 PolarHBondContact O-N 3.41Å; K347-F544 HydrophobicContact CD-CE1 4.21Å; K347-F544 HydrophobicContact CD-CZ 4.32Å; K347-F544 HydrophobicContact CG-CE1 4.04Å
348	E	98.6	Very high	98.3	Very high	115 Å²	115	29.2 Å²	29.2	54%	0.537	15%	0.153	S	C	.	.	H	α-helix	trans	-61.3	-29.4	-179.2	-85.6	145.8	-142.7	0	0	113.5	Q344 H345	Q344-E348 PolarHBondContact O-N 2.93Å; H345-E348 PolarHBondContact O-N 2.73Å
349	T	98.6	Very high	98.3	Very high	74 Å²	74	30 Å²	30	45%	0.454	16%	0.163	S	C	.	.	H	α-helix	trans	-83.7	-42.9	-178.8	-53.7	0	0	0	0	112.2	H345 L346 K347	H345-T349 PolarHBondContact CE1-OG1 2.84Å; H345-T349 VanDerWaalsContact CE1-OG1 3.25Å; H345-T349 WeakPolarHBondContact O-CB 3.32Å; H345-T349 PolarHBondContact O-N 3.11Å; H345-T349 PolarHBondContact O-OG1 2.93Å; L346-T349 PolarHBondContact O-N 2.79Å; K347-T349 PolarHBondContact O-N 3.49Å
350	F	98.7	Very high	98.2	Very high	21 Å²	21	32.4 Å²	32.4	9%	0.092	18%	0.176	C	C	.	.	H	α-helix	trans	-107.1	-26.5	-167.6	-57	-44.8	0	0	0	115	F318 L346 K347 H363 E364 F365 F379 L381 K385	F318-F350 HydrophobicContact CE1-CB 4.39Å; F318-F350 HydrophobicContact CE1-CD2 4.4Å; F318-F350 HydrophobicContact CZ-CB 4.02Å; F318-F350 HydrophobicContact CZ-CD2 4.42Å; L346-F350 HydrophobicContact CB-CD2 4.3Å; L346-F350 HydrophobicContact CB-CE2 4.44Å; L346-F350 HydrophobicContact CD2-CD2 4.32Å; L346-F350 HydrophobicContact CD2-CE2 3.62Å; L346-F350 HydrophobicContact CD2-CZ 4.48Å; L346-F350 WeakPolarHBondContact O-CB 3.42Å; L346-F350 WeakPolarHBondContact O-CD2 3.37Å; L346-F350 PolarHBondContact O-N 2.81Å; K347-F350 PolarHBondContact O-N 2.91Å; F350-H363 AromaticContact CD1-ND1 3.64Å; F350-H363 HydrophobicContact CE1-CB 3.97Å; F350-H363 AromaticContact CE1-CG 4Å; F350-H363 AromaticContact CE1-ND1 3.64Å; F350-H363 HydrophobicContact CZ-CB 4.08Å; F350-E364 WeakPolarHBondContact CZ-O 3.45Å; F350-F365 HydrophobicContact CE2-CB 4.5Å; F350-F365 HydrophobicContact CZ-CB 4.38Å; F350-F379 HydrophobicContact CD2-CE1 4.49Å; F350-F379 HydrophobicContact CD2-CZ 4.11Å; F350-F379 AromaticContact CE2-CE1 3.8Å; F350-F379 HydrophobicContact CE2-CE1 3.8Å; F350-F379 AromaticContact CE2-CZ 3.79Å; F350-F379 HydrophobicContact CE2-CZ 3.79Å; F350-F379 HydrophobicContact CZ-CE1 4.19Å; F350-L381 HydrophobicContact CB-CD1 4.27Å; F350-L381 HydrophobicContact CD2-CD1 4.09Å; F350-L381 HydrophobicContact CG-CD1 4.3Å; F350-K385 HydrophobicContact CB-CD 4.14Å; F350-K385 HydrophobicContact CB-CG 4.2Å; F350-K385 WeakPolarHBondContact O-CB 3.4Å; F350-K385 WeakPolarHBondContact O-CD 3.42Å
351	C	98.9	Very high	98.2	Very high	8 Å²	8	35.2 Å²	35.2	5%	0.054	19%	0.188	C	C	.	.			trans	-73.2	141.2	-176.1	-74.3	0	0	0	0	112.4	K347 K385 P389 F544	K347-C351 HydrophobicContact CG-CB 4.3Å; K347-C351 WeakPolarHBondContact O-CB 3.26Å; K347-C351 PolarHBondContact O-N 3.41Å; C351-K385 VanDerWaalsContact CA-O 3.23Å; C351-K385 WeakPolarHBondContact CA-O 3.34Å; C351-P389 HydrophobicContact CB-CG 3.5Å; C351-P389 VanDerWaalsContact CB-CG 3.5Å; C351-F544 HydrophobicContact CB-CD1 3.72Å; C351-F544 HydrophobicContact CB-CE1 3.67Å
352	H	98.8	Very high	98.1	Very high	9 Å²	9	37.1 Å²	37.1	4%	0.042	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-145.4	165.2	178.2	61.2	87.9	0	0	0	111.6	D354 I357 K385 L386 H545	H352-D354 HydrophobicContact CB-CB 4.49Å; H352-D354 PolarHBondContact CE1-O 2.94Å; H352-D354 VanDerWaalsContact CE1-O 3.26Å; H352-D354 PolarHBondContact ND1-N 2.95Å; H352-D354 PolarHBondContact ND1-O 3.21Å; H352-I357 PolarHBondContact CE1-O 2.81Å; H352-I357 WeakPolarHBondContact NE2-CG2 3.26Å; H352-K385 PolarHBondContact N-O 3.04Å; H352-L386 WeakPolarHBondContact O-CD1 3.33Å; H352-H545 HydrophobicContact CB-CB 4.09Å
353	L	98.8	Very high	98.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.204	C	C	.	.			trans	-114.6	22.3	170.3	-74.5	171.5	0	0	0	112.1	L386 P389 M390 F393 L542 F544 H545 A547 F550	L353-L386 HydrophobicContact CD2-CD1 4.3Å; L353-P389 HydrophobicContact CD2-CB 3.73Å; L353-P389 HydrophobicContact CG-CB 3.94Å; L353-M390 HydrophobicContact CD2-CG 3.71Å; L353-F393 HydrophobicContact CD1-CE2 4.31Å; L353-F393 HydrophobicContact CD2-CE2 4.42Å; L353-L542 HydrophobicContact CD1-CD1 4.25Å; L353-F544 HydrophobicContact CD1-CB 4.32Å; L353-F544 HydrophobicContact CD1-CD2 4.14Å; L353-F544 HydrophobicContact CG-CB 4.26Å; L353-H545 PolarHBondContact N-O 3.07Å; L353-A547 HydrophobicContact CD1-CB 3.95Å; L353-F550 HydrophobicContact CB-CB 3.84Å; L353-F550 HydrophobicContact CB-CD1 4.41Å; L353-F550 HydrophobicContact CB-CD2 4.09Å; L353-F550 HydrophobicContact CB-CG 3.87Å; L353-F550 HydrophobicContact CD1-CD1 4.13Å; L353-F550 HydrophobicContact CD1-CG 4.39Å; L353-F550 HydrophobicContact CD2-CD1 4.07Å; L353-F550 HydrophobicContact CD2-CD2 4.26Å; L353-F550 HydrophobicContact CD2-CE1 4.02Å; L353-F550 HydrophobicContact CD2-CE2 4.22Å; L353-F550 HydrophobicContact CD2-CG 4.2Å; L353-F550 HydrophobicContact CD2-CZ 4.1Å; L353-F550 HydrophobicContact CG-CD1 4.45Å; L353-F550 HydrophobicContact CG-CG 4.39Å; L353-F550 VanDerWaalsContact O-CD2 3.3Å; L353-F550 WeakPolarHBondContact O-CD2 3.31Å
354	D	98.6	Very high	98.1	Very high	21 Å²	21	43.3 Å²	43.3	11%	0.112	23%	0.227	C	C	.	.			trans	-86	126.1	175.8	-163.8	-21.5	0	0	0	112	H352 D356 I357 H545 K546	H352-D354 HydrophobicContact CB-CB 4.49Å; H352-D354 PolarHBondContact CE1-O 2.94Å; H352-D354 VanDerWaalsContact CE1-O 3.26Å; H352-D354 PolarHBondContact ND1-N 2.95Å; H352-D354 PolarHBondContact ND1-O 3.21Å; D354-D356 PolarHBondContact OD1-N 3.02Å; D354-I357 HydrophobicContact CB-CB 4.32Å; D354-I357 HydrophobicContact CB-CD1 3.77Å; D354-I357 HydrophobicContact CB-CG1 3.89Å; D354-H545 IonicContact OD2-CE1 3.24Å; D354-H545 PolarHBondContact OD2-CE1 3.09Å; D354-H545 VanDerWaalsContact OD2-CE1 3.25Å; D354-H545 IonicContact OD2-ND1 3.91Å; D354-K546 HydrophobicContact CB-CB 3.97Å; D354-K546 HydrophobicContact CB-CG 3.77Å
355	Q	97.6	Very high	98	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.028	22%	0.224	C	C	.	.	S	Bend	trans	-75.6	-27	176.5	-79.8	-68	93.8	0	0	113.3	I117 K120 R128 L386	I117-Q355 PolarHBondContact O-NE2 3.23Å; K120-Q355 HydrophobicContact CB-CG 4.48Å; K120-Q355 HydrophobicContact CD-CG 3.45Å; K120-Q355 VanDerWaalsContact CD-CG 3.45Å; K120-Q355 HydrophobicContact CG-CG 3.85Å; K120-Q355 PolarHBondContact O-NE2 2.77Å; R128-Q355 PolarHBondContact NH1-O 2.88Å; Q355-L386 VanDerWaalsContact OE1-CD2 3.32Å
356	D	97.8	Very high	98	Very high	71 Å²	71	42.1 Å²	42.1	38%	0.38	22%	0.222	S	C	.	.	S	Bend	trans	-83.2	-22.5	-172	-63.7	-35.9	0	0	0	111.3	M122 S123 D354 S358	M122-D356 WeakPolarHBondContact CA-OD1 3.43Å; M122-D356 WeakPolarHBondContact CB-OD1 3.46Å; S123-D356 WeakPolarHBondContact CB-OD2 3.41Å; S123-D356 PolarHBondContact N-OD1 3.01Å; S123-D356 PolarHBondContact OG-OD1 3.5Å; S123-D356 PolarHBondContact OG-OD2 3.3Å; D354-D356 PolarHBondContact OD1-N 3.02Å; D356-S358 PolarHBondContact O-N 3.3Å
357	I	97.8	Very high	97.9	Very high	48 Å²	48	42.3 Å²	42.3	25%	0.246	22%	0.223	C	C	.	.			trans	-73.6	92.7	170.1	-59.1	177.7	0	0	0	109	R128 H352 D354 Q361	R128-I357 VanDerWaalsContact CZ-O 3.26Å; R128-I357 VanDerWaalsContact NH1-C 3.31Å; R128-I357 PolarHBondContact NH1-O 3.16Å; R128-I357 PolarHBondContact NH2-O 3.01Å; H352-I357 PolarHBondContact CE1-O 2.81Å; H352-I357 WeakPolarHBondContact NE2-CG2 3.26Å; D354-I357 HydrophobicContact CB-CB 4.32Å; D354-I357 HydrophobicContact CB-CD1 3.77Å; D354-I357 HydrophobicContact CB-CG1 3.89Å; I357-Q361 VanDerWaalsContact CG2-NE2 3.34Å
358	S	95.3	Very high	97.8	Very high	44 Å²	44	45.7 Å²	45.7	31%	0.308	24%	0.235	S	C	.	.			trans	-123.7	178.6	-176.5	66.3	0	0	0	0	113.4	R128 D356 Q361	R128-S358 VanDerWaalsContact NH1-CB 3.26Å; D356-S358 PolarHBondContact O-N 3.3Å; S358-Q361 PolarHBondContact O-NE2 3.44Å; S358-Q361 VanDerWaalsContact O-NE2 3.14Å
359	G	96.2	Very high	97.6	Very high	25 Å²	25	41.6 Å²	41.6	26%	0.258	22%	0.216	S	C	.	.	S	Bend	trans	78.8	174.1	179.2	0	0	0	0	0	114.3
360	L	97.3	Very high	97.4	Very high	52 Å²	52	38.4 Å²	38.4	27%	0.272	20%	0.197	S	C	.	.			trans	-78.8	131	168.7	-74.5	172.3	0	0	0	108.9	V131 Q135 A136	V131-L360 HydrophobicContact CB-CD2 4.28Å; V131-L360 HydrophobicContact CB-CG 4.03Å; V131-L360 HydrophobicContact CG1-CG 4.2Å; V131-L360 HydrophobicContact CG2-CD2 4.09Å; V131-L360 HydrophobicContact CG2-CG 4.28Å; Q135-L360 HydrophobicContact CB-CD1 4.15Å; Q135-L360 HydrophobicContact CG-CD1 3.8Å; A136-L360 HydrophobicContact CB-CD2 3.86Å
361	Q	97.9	Very high	97.2	Very high	61 Å²	61	43.9 Å²	43.9	29%	0.285	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.8	178.9	-69.1	169.7	27.8	0	0	109.4	I357 S358 H363 R380 L381 K385	I357-Q361 VanDerWaalsContact CG2-NE2 3.34Å; S358-Q361 PolarHBondContact O-NE2 3.44Å; S358-Q361 VanDerWaalsContact O-NE2 3.14Å; Q361-H363 VanDerWaalsContact CB-NE2 3.26Å; Q361-H363 WeakPolarHBondContact CB-NE2 3.46Å; Q361-H363 PolarHBondContact O-CD2 3.07Å; Q361-H363 VanDerWaalsContact O-CD2 3.24Å; Q361-R380 VanDerWaalsContact O-CA 3.28Å; Q361-R380 WeakPolarHBondContact O-CA 3.36Å; Q361-L381 PolarHBondContact N-O 2.94Å; Q361-L381 PolarHBondContact O-N 3.15Å; Q361-K385 VanDerWaalsContact CD-NZ 3.29Å
362	D	97.7	Very high	97	Very high	88 Å²	88	44.9 Å²	44.9	47%	0.471	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	132.7	170.9	-68.4	-54.6	0	0	0	109.4	R380	D362-R380 WeakPolarHBondContact OD1-CD 3.15Å; D362-R380 WeakPolarHBondContact OD1-CG 3.31Å; D362-R380 IonicContact OD1-CZ 3.84Å; D362-R380 IonicContact OD1-NE 3.87Å; D362-R380 PolarHBondContact OD1-NE 3.44Å; D362-R380 IonicContact OD1-NH2 2.95Å; D362-R380 IonicContact OD2-NE 3.05Å; D362-R380 IonicContact OD2-NH2 2.95Å
363	H	98.2	Very high	96.8	Very high	35 Å²	35	46.5 Å²	46.5	16%	0.162	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	158.8	179.1	-68.7	-77.7	0	0	0	109.8	F350 Q361 Q378 F379 K385	F350-H363 AromaticContact CD1-ND1 3.64Å; F350-H363 HydrophobicContact CE1-CB 3.97Å; F350-H363 AromaticContact CE1-CG 4Å; F350-H363 AromaticContact CE1-ND1 3.64Å; F350-H363 HydrophobicContact CZ-CB 4.08Å; Q361-H363 VanDerWaalsContact CB-NE2 3.26Å; Q361-H363 WeakPolarHBondContact CB-NE2 3.46Å; Q361-H363 PolarHBondContact O-CD2 3.07Å; Q361-H363 VanDerWaalsContact O-CD2 3.24Å; H363-Q378 WeakPolarHBondContact O-CA 3.34Å; H363-Q378 PolarHBondContact O-OE1 3.36Å; H363-F379 HydrophobicContact CB-CD1 4.03Å; H363-F379 HydrophobicContact CB-CE1 3.7Å; H363-F379 PolarHBondContact N-O 2.94Å; H363-F379 PolarHBondContact O-N 3.47Å; H363-K385 PolarHBondContact NE2-NZ 3.48Å
364	E	97.8	Very high	96.7	Very high	106 Å²	106	46.4 Å²	46.4	50%	0.495	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.5	174.3	69	178.9	-152.4	0	0	112.1	F350 L376 Y377 Q378	F350-E364 WeakPolarHBondContact CZ-O 3.45Å; E364-L376 HydrophobicContact CB-CD1 4.04Å; E364-L376 HydrophobicContact CG-CD1 4.22Å; E364-Y377 CarbonylContact C-O 3.22Å; E364-Y377 WeakPolarHBondContact CA-O 3.18Å; E364-Y377 WeakPolarHBondContact CB-O 3.5Å; E364-Q378 VanDerWaalsContact CB-NE2 3.34Å; E364-Q378 PolarHBondContact OE2-NE2 2.95Å
365	F	98.1	Very high	96.7	Very high	7 Å²	7	46.7 Å²	46.7	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	154.4	173.3	69.9	-86.7	0	0	0	111.5	F327 P328 L342 L346 F350 I367 Y377 F379	F327-F365 AromaticContact CE2-CE1 3.72Å; F327-F365 HydrophobicContact CE2-CE1 3.72Å; F327-F365 HydrophobicContact CE2-CE2 4.39Å; F327-F365 AromaticContact CE2-CZ 3.54Å; F327-F365 HydrophobicContact CE2-CZ 3.54Å; F327-F365 HydrophobicContact CZ-CE1 4.31Å; F327-F365 HydrophobicContact CZ-CE2 4.19Å; F327-F365 AromaticContact CZ-CZ 3.66Å; F327-F365 HydrophobicContact CZ-CZ 3.66Å; P328-F365 HydrophobicContact CG-CE1 4.14Å; P328-F365 HydrophobicContact CG-CZ 4.33Å; L342-F365 HydrophobicContact CD1-CD2 3.95Å; L342-F365 HydrophobicContact CD1-CE2 4.27Å; L342-F365 HydrophobicContact CD2-CE2 4.35Å; L346-F365 HydrophobicContact CD2-CB 3.48Å; L346-F365 VanDerWaalsContact CD2-CB 3.48Å; L346-F365 HydrophobicContact CD2-CD1 4.06Å; L346-F365 HydrophobicContact CD2-CD2 3.83Å; L346-F365 HydrophobicContact CD2-CG 3.53Å; F350-F365 HydrophobicContact CE2-CB 4.5Å; F350-F365 HydrophobicContact CZ-CB 4.38Å; F365-I367 HydrophobicContact CD2-CG1 4.11Å; F365-I367 HydrophobicContact CE2-CD1 3.93Å; F365-I367 HydrophobicContact CE2-CG1 3.74Å; F365-Y377 VanDerWaalsContact CE1-CB 3.43Å; F365-Y377 HydrophobicContact CE1-CG 4.14Å; F365-Y377 AromaticContact CE2-CD2 3.92Å; F365-Y377 HydrophobicContact CE2-CD2 3.92Å; F365-Y377 HydrophobicContact CE2-CG 4.16Å; F365-Y377 HydrophobicContact CZ-CD1 4.42Å; F365-Y377 AromaticContact CZ-CD2 3.97Å; F365-Y377 HydrophobicContact CZ-CD2 3.97Å; F365-Y377 AromaticContact CZ-CG 3.73Å; F365-Y377 HydrophobicContact CZ-CG 3.73Å; F365-Y377 PolarHBondContact N-O 2.95Å; F365-Y377 PolarHBondContact O-N 2.85Å; F365-F379 AromaticContact CD1-CD1 3.93Å; F365-F379 HydrophobicContact CD1-CD1 3.93Å; F365-F379 AromaticContact CD1-CE1 3.67Å; F365-F379 HydrophobicContact CD1-CE1 3.67Å; F365-F379 HydrophobicContact CD1-CZ 4.29Å; F365-F379 HydrophobicContact CE1-CD1 4.06Å; F365-F379 HydrophobicContact CE1-CE1 4.07Å; F365-F379 HydrophobicContact CE1-CG 4.49Å; F365-F379 HydrophobicContact CE1-CZ 4.46Å
366	Q	97.5	Very high	96.7	Very high	85 Å²	85	47.7 Å²	47.7	40%	0.397	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144	178.6	-63.8	-177.2	22.5	0	0	111.6	L148 L375 L376	L148-Q366 HydrophobicContact CD1-CG 3.98Å; Q366-L375 CarbonylContact C-O 3.53Å; Q366-L375 WeakPolarHBondContact CA-O 3.46Å; Q366-L376 HydrophobicContact CG-CD1 3.83Å
367	I	97.3	Very high	96.7	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.4	164.7	-56.9	-173.7	0	0	0	107.6	Y329 L342 F365 H369 L375 Y377	Y329-I367 HydrophobicContact CD1-CD1 3.67Å; Y329-I367 HydrophobicContact CD2-CD1 3.69Å; Y329-I367 HydrophobicContact CE1-CD1 4.02Å; Y329-I367 HydrophobicContact CE2-CD1 4Å; Y329-I367 HydrophobicContact CG-CD1 3.53Å; L342-I367 HydrophobicContact CD1-CG1 4.38Å; L342-I367 HydrophobicContact CD2-CD1 3.83Å; L342-I367 HydrophobicContact CD2-CG1 3.97Å; F365-I367 HydrophobicContact CD2-CG1 4.11Å; F365-I367 HydrophobicContact CE2-CD1 3.93Å; F365-I367 HydrophobicContact CE2-CG1 3.74Å; I367-H369 HydrophobicContact CG2-CB 4.26Å; I367-L375 HydrophobicContact CB-CB 4.37Å; I367-L375 PolarHBondContact N-O 3.24Å; I367-L375 PolarHBondContact O-N 3.5Å; I367-Y377 HydrophobicContact CD1-CD2 4.12Å; I367-Y377 HydrophobicContact CD1-CE2 3.65Å; I367-Y377 HydrophobicContact CG1-CD2 4.22Å; I367-Y377 HydrophobicContact CG1-CE2 4.12Å
368	R	95.9	Very high	96.7	Very high	78 Å²	78	45.7 Å²	45.7	29%	0.294	24%	0.239	S	C	.	.			trans	-124.2	58.8	175.6	-69.1	-176.6	177	-90.8	-3.1	109.5	D149 S152 N154 A374	D149-R368 IonicContact OD2-CZ 2.83Å; D149-R368 IonicContact OD2-NH1 3.68Å; D149-R368 PolarHBondContact OD2-NH1 3.36Å; D149-R368 IonicContact OD2-NH2 3.57Å; D149-R368 PolarHBondContact OD2-NH2 3.49Å; S152-R368 PolarHBondContact O-NH1 3.23Å; N154-R368 WeakPolarHBondContact CB-O 3.49Å; N154-R368 PolarHBondContact ND2-O 3.02Å; R368-A374 HydrophobicContact CG-CB 4.03Å; R368-A374 VanDerWaalsContact NH1-CB 3.35Å
369	H	94.7	Very high	96.8	Very high	30 Å²	30	43.7 Å²	43.7	14%	0.139	22%	0.224	C	C	.	.			trans	-75.8	151.2	178.2	-67	170.9	0	0	0	110.9	S152 D339 I367 S372	S152-H369 WeakPolarHBondContact CB-O 3.23Å; S152-H369 PolarHBondContact OG-O 3.33Å; D339-H369 IonicContact OD1-CE1 2.7Å; D339-H369 PolarHBondContact OD1-CE1 3.49Å; D339-H369 VanDerWaalsContact OD1-CE1 3.24Å; D339-H369 IonicContact OD1-ND1 3.74Å; I367-H369 HydrophobicContact CG2-CB 4.26Å; H369-S372 PolarHBondContact N-OG 3.15Å; H369-S372 PolarHBondContact O-N 3.38Å; H369-S372 PolarHBondContact O-OG 2.64Å
370	P	95.8	Very high	96.9	Very high	7 Å²	7	46.1 Å²	46.1	5%	0.045	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	150.2	168.9	-22.8	35	0	0	0	111.4	N154 W156 Y173 S372	N154-P370 HydrophobicContact CB-CG 4.28Å; N154-P370 WeakPolarHBondContact O-CA 3.48Å; W156-P370 HydrophobicContact CD2-CB 3.54Å; W156-P370 HydrophobicContact CD2-CG 3.89Å; W156-P370 VanDerWaalsContact CE2-CB 3.49Å; W156-P370 HydrophobicContact CE3-CB 3.92Å; W156-P370 HydrophobicContact CE3-CG 3.7Å; W156-P370 HydrophobicContact CG-CB 3.93Å; W156-P370 HydrophobicContact CH2-CB 4.2Å; W156-P370 HydrophobicContact CH2-CG 4.08Å; W156-P370 HydrophobicContact CZ2-CB 3.84Å; W156-P370 HydrophobicContact CZ2-CG 4.24Å; W156-P370 HydrophobicContact CZ3-CB 4.24Å; W156-P370 HydrophobicContact CZ3-CG 3.81Å; Y173-P370 HydrophobicContact CD1-CG 4.08Å; Y173-P370 HydrophobicContact CE1-CG 4.36Å; P370-S372 PolarHBondContact O-N 2.97Å; P370-S372 VanDerWaalsContact O-N 3.14Å
371	D	94.1	Very high	97	Very high	135 Å²	135	43.7 Å²	43.7	72%	0.722	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	20.8	-176	-55.3	-18.2	0	0	0	114.9	W156	W156-D371 VanDerWaalsContact CD1-OD2 3.23Å; W156-D371 VanDerWaalsContact NE1-CG 3.33Å; W156-D371 PolarHBondContact NE1-OD2 3.14Å
372	S	93.5	Very high	97	Very high	29 Å²	29	40.8 Å²	40.8	20%	0.203	20%	0.199	C	C	.	.	S	Bend	trans	-126.2	158.3	172.7	84.9	0	0	0	0	111.5	S152 H369 P370	S152-S372 VanDerWaalsContact CB-O 3.29Å; S152-S372 WeakPolarHBondContact CB-O 3.48Å; S152-S372 PolarHBondContact N-O 2.89Å; S152-S372 PolarHBondContact OG-O 2.93Å; H369-S372 PolarHBondContact N-OG 3.15Å; H369-S372 PolarHBondContact O-N 3.38Å; H369-S372 PolarHBondContact O-OG 2.64Å; P370-S372 PolarHBondContact O-N 2.97Å; P370-S372 VanDerWaalsContact O-N 3.14Å
373	P	96.1	Very high	97	Very high	43 Å²	43	37 Å²	37	28%	0.279	18%	0.18	S	C	.	.			trans	-63.1	164.5	162.7	28.3	-35	0	0	0	110.9	I147 D149 L375	I147-P373 HydrophobicContact CG2-CB 4.02Å; D149-P373 WeakPolarHBondContact O-CA 3.41Å; D149-P373 WeakPolarHBondContact O-CB 3.35Å; P373-L375 HydrophobicContact CB-CD2 4.37Å; P373-L375 HydrophobicContact CG-CD2 3.75Å; P373-L375 HydrophobicContact CG-CG 4.12Å; P373-L375 PolarHBondContact O-N 3.45Å
374	A	96.7	Very high	97	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	116.6	165.3	0	0	0	0	0	108.7	L148 D149 R368	L148-A374 HydrophobicContact CB-CB 4.1Å; L148-A374 PolarHBondContact N-O 3.46Å; D149-A374 HydrophobicContact CB-CB 3.78Å; D149-A374 PolarHBondContact O-N 2.76Å; R368-A374 HydrophobicContact CG-CB 4.03Å; R368-A374 VanDerWaalsContact NH1-CB 3.35Å
375	L	97.8	Very high	97.1	Very high	27 Å²	27	30.8 Å²	30.8	14%	0.141	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138	-177.3	-61.6	174.5	0	0	0	110.3	P145 A146 I147 Q366 I367 P373 Y377	P145-L375 HydrophobicContact CB-CB 4.12Å; P145-L375 HydrophobicContact CB-CD2 4.13Å; P145-L375 HydrophobicContact CG-CD2 4.34Å; A146-L375 CarbonylContact O-C 3.33Å; A146-L375 WeakPolarHBondContact O-CA 3.38Å; I147-L375 HydrophobicContact CG1-CD2 3.89Å; Q366-L375 CarbonylContact C-O 3.53Å; Q366-L375 WeakPolarHBondContact CA-O 3.46Å; I367-L375 HydrophobicContact CB-CB 4.37Å; I367-L375 PolarHBondContact N-O 3.24Å; I367-L375 PolarHBondContact O-N 3.5Å; P373-L375 HydrophobicContact CB-CD2 4.37Å; P373-L375 HydrophobicContact CG-CD2 3.75Å; P373-L375 HydrophobicContact CG-CG 4.12Å; P373-L375 PolarHBondContact O-N 3.45Å; L375-Y377 HydrophobicContact CB-CD2 4.28Å; L375-Y377 HydrophobicContact CB-CE2 3.83Å; L375-Y377 HydrophobicContact CD1-CE2 4.08Å
376	L	98.1	Very high	97.1	Very high	27 Å²	27	30.4 Å²	30.4	14%	0.141	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.6	169.2	-179.9	68.4	0	0	0	109.2	P145 A146 L148 E364 Q366	P145-L376 CarbonylContact C-O 3.59Å; P145-L376 VanDerWaalsContact CA-O 3.23Å; P145-L376 WeakPolarHBondContact CA-O 3.28Å; A146-L376 HydrophobicContact CB-CB 4.47Å; A146-L376 PolarHBondContact N-O 3.2Å; A146-L376 PolarHBondContact O-N 2.67Å; L148-L376 HydrophobicContact CD1-CB 3.95Å; L148-L376 HydrophobicContact CD2-CB 3.92Å; L148-L376 HydrophobicContact CD2-CD2 4.07Å; L148-L376 HydrophobicContact CG-CB 3.81Å; E364-L376 HydrophobicContact CB-CD1 4.04Å; E364-L376 HydrophobicContact CG-CD1 4.22Å; Q366-L376 HydrophobicContact CG-CD1 3.83Å
377	Y	97.9	Very high	97.2	Very high	11 Å²	11	27.2 Å²	27.2	4%	0.043	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.3	176.3	-77.2	-94.2	0	0	0	110.6	P145 P328 E364 F365 I367 L375	P145-Y377 HydrophobicContact CB-CD1 3.96Å; P145-Y377 HydrophobicContact CB-CD2 3.95Å; P145-Y377 HydrophobicContact CB-CE1 3.69Å; P145-Y377 HydrophobicContact CB-CE2 3.63Å; P145-Y377 HydrophobicContact CB-CG 4.11Å; P145-Y377 HydrophobicContact CG-CE1 3.81Å; P145-Y377 HydrophobicContact CG-CE2 4.22Å; P328-Y377 HydrophobicContact CB-CD1 3.66Å; P328-Y377 HydrophobicContact CB-CE1 4.06Å; P328-Y377 HydrophobicContact CG-CD1 3.58Å; P328-Y377 HydrophobicContact CG-CE1 4.33Å; P328-Y377 HydrophobicContact CG-CG 4.24Å; E364-Y377 CarbonylContact C-O 3.22Å; E364-Y377 WeakPolarHBondContact CA-O 3.18Å; E364-Y377 WeakPolarHBondContact CB-O 3.5Å; F365-Y377 VanDerWaalsContact CE1-CB 3.43Å; F365-Y377 HydrophobicContact CE1-CG 4.14Å; F365-Y377 AromaticContact CE2-CD2 3.92Å; F365-Y377 HydrophobicContact CE2-CD2 3.92Å; F365-Y377 HydrophobicContact CE2-CG 4.16Å; F365-Y377 HydrophobicContact CZ-CD1 4.42Å; F365-Y377 AromaticContact CZ-CD2 3.97Å; F365-Y377 HydrophobicContact CZ-CD2 3.97Å; F365-Y377 AromaticContact CZ-CG 3.73Å; F365-Y377 HydrophobicContact CZ-CG 3.73Å; F365-Y377 PolarHBondContact N-O 2.95Å; F365-Y377 PolarHBondContact O-N 2.85Å; I367-Y377 HydrophobicContact CD1-CD2 4.12Å; I367-Y377 HydrophobicContact CD1-CE2 3.65Å; I367-Y377 HydrophobicContact CG1-CD2 4.22Å; I367-Y377 HydrophobicContact CG1-CE2 4.12Å; L375-Y377 HydrophobicContact CB-CD2 4.28Å; L375-Y377 HydrophobicContact CB-CE2 3.83Å; L375-Y377 HydrophobicContact CD1-CE2 4.08Å
378	Q	97.5	Very high	97.3	Very high	66 Å²	66	27 Å²	27	31%	0.308	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	138.7	167.6	-61.9	-65.4	-28.4	0	0	109	M143 H363 E364	M143-Q378 WeakPolarHBondContact CB-O 3.42Å; M143-Q378 WeakPolarHBondContact CG-O 3.35Å; M143-Q378 HydrophobicContact SD-CB 4.37Å; H363-Q378 WeakPolarHBondContact O-CA 3.34Å; H363-Q378 PolarHBondContact O-OE1 3.36Å; E364-Q378 VanDerWaalsContact CB-NE2 3.34Å; E364-Q378 PolarHBondContact OE2-NE2 2.95Å
379	F	97.8	Very high	97.4	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	158.1	174.3	78.5	-47.8	0	0	0	112.4	N140 M322 F327 P328 F350 H363 F365 L381	N140-F379 WeakPolarHBondContact OD1-CA 3.48Å; N140-F379 WeakPolarHBondContact OD1-CB 3.28Å; M322-F379 HydrophobicContact SD-CE2 3.92Å; M322-F379 HydrophobicContact SD-CZ 4.25Å; F327-F379 HydrophobicContact CD2-CD2 4.37Å; F327-F379 HydrophobicContact CD2-CE2 4.16Å; F327-F379 HydrophobicContact CE2-CE2 4.46Å; P328-F379 HydrophobicContact CG-CB 4.06Å; F350-F379 HydrophobicContact CD2-CE1 4.49Å; F350-F379 HydrophobicContact CD2-CZ 4.11Å; F350-F379 AromaticContact CE2-CE1 3.8Å; F350-F379 HydrophobicContact CE2-CE1 3.8Å; F350-F379 AromaticContact CE2-CZ 3.79Å; F350-F379 HydrophobicContact CE2-CZ 3.79Å; F350-F379 HydrophobicContact CZ-CE1 4.19Å; H363-F379 HydrophobicContact CB-CD1 4.03Å; H363-F379 HydrophobicContact CB-CE1 3.7Å; H363-F379 PolarHBondContact N-O 2.94Å; H363-F379 PolarHBondContact O-N 3.47Å; F365-F379 AromaticContact CD1-CD1 3.93Å; F365-F379 HydrophobicContact CD1-CD1 3.93Å; F365-F379 AromaticContact CD1-CE1 3.67Å; F365-F379 HydrophobicContact CD1-CE1 3.67Å; F365-F379 HydrophobicContact CD1-CZ 4.29Å; F365-F379 HydrophobicContact CE1-CD1 4.06Å; F365-F379 HydrophobicContact CE1-CE1 4.07Å; F365-F379 HydrophobicContact CE1-CG 4.49Å; F365-F379 HydrophobicContact CE1-CZ 4.46Å; F379-L381 HydrophobicContact CD2-CD2 4.08Å; F379-L381 HydrophobicContact CD2-CG 3.97Å; F379-L381 HydrophobicContact CE1-CD1 4.3Å; F379-L381 HydrophobicContact CE1-CG 4.48Å; F379-L381 HydrophobicContact CE2-CD1 3.55Å; F379-L381 HydrophobicContact CE2-CD2 3.54Å; F379-L381 HydrophobicContact CE2-CG 3.37Å; F379-L381 HydrophobicContact CZ-CD1 3.37Å; F379-L381 HydrophobicContact CZ-CD2 4.28Å; F379-L381 HydrophobicContact CZ-CG 3.67Å
380	R	98.4	Very high	97.6	Very high	77 Å²	77	22 Å²	22	29%	0.291	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.4	174.7	-76.6	177.7	-177.3	164	2.4	111.5	A136 Y139 N140 Q361 D362	A136-R380 HydrophobicContact CB-CB 4.37Å; Y139-R380 HydrophobicContact CD1-CB 4.26Å; Y139-R380 HydrophobicContact CD1-CG 3.73Å; Y139-R380 HydrophobicContact CE1-CG 3.89Å; Y139-R380 HydrophobicContact CG-CG 4.45Å; N140-R380 PolarHBondContact ND2-O 2.92Å; N140-R380 PolarHBondContact OD1-N 3.01Å; Q361-R380 VanDerWaalsContact O-CA 3.28Å; Q361-R380 WeakPolarHBondContact O-CA 3.36Å; D362-R380 WeakPolarHBondContact OD1-CD 3.15Å; D362-R380 WeakPolarHBondContact OD1-CG 3.31Å; D362-R380 IonicContact OD1-CZ 3.84Å; D362-R380 IonicContact OD1-NE 3.87Å; D362-R380 PolarHBondContact OD1-NE 3.44Å; D362-R380 IonicContact OD1-NH2 2.95Å; D362-R380 IonicContact OD2-NE 3.05Å; D362-R380 IonicContact OD2-NH2 2.95Å
381	L	98.3	Very high	97.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.7	169.8	-73.8	180	0	0	0	111	F318 M322 F350 Q361 F379 K385	F318-L381 HydrophobicContact CE2-CD1 4.26Å; F318-L381 HydrophobicContact CZ-CD1 3.7Å; M322-L381 HydrophobicContact CG-CD2 3.98Å; F350-L381 HydrophobicContact CB-CD1 4.27Å; F350-L381 HydrophobicContact CD2-CD1 4.09Å; F350-L381 HydrophobicContact CG-CD1 4.3Å; Q361-L381 PolarHBondContact N-O 2.94Å; Q361-L381 PolarHBondContact O-N 3.15Å; F379-L381 HydrophobicContact CD2-CD2 4.08Å; F379-L381 HydrophobicContact CD2-CG 3.97Å; F379-L381 HydrophobicContact CE1-CD1 4.3Å; F379-L381 HydrophobicContact CE1-CG 4.48Å; F379-L381 HydrophobicContact CE2-CD1 3.55Å; F379-L381 HydrophobicContact CE2-CD2 3.54Å; F379-L381 HydrophobicContact CE2-CG 3.37Å; F379-L381 HydrophobicContact CZ-CD1 3.37Å; F379-L381 HydrophobicContact CZ-CD2 4.28Å; F379-L381 HydrophobicContact CZ-CG 3.67Å; L381-K385 HydrophobicContact CB-CD 3.86Å; L381-K385 HydrophobicContact CB-CG 3.96Å; L381-K385 HydrophobicContact CD1-CD 4.09Å; L381-K385 HydrophobicContact CD1-CG 3.85Å
382	G	98	Very high	98	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.076	C	C	.	.			trans	-120.1	-123.7	177	0	0	0	0	0	111.4	V131 E384 K385	V131-G382 VanDerWaalsContact CG2-CA 3.49Å; G382-E384 VanDerWaalsContact C-OE2 3.23Å; G382-E384 VanDerWaalsContact CA-OE2 3.3Å; G382-E384 WeakPolarHBondContact CA-OE2 3.41Å; G382-E384 PolarHBondContact N-OE2 3.32Å; G382-E384 PolarHBondContact O-N 3.05Å; G382-K385 VanDerWaalsContact O-CE 3.3Å; G382-K385 WeakPolarHBondContact O-CE 3.46Å
383	D	98.2	Very high	98.2	Very high	10 Å²	10	13.9 Å²	13.9	5%	0.053	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-12.9	-175	-66.7	-43	0	0	0	113.5	R128 P130 V131 K385 L386 Q387	R128-D383 IonicContact CZ-OD1 3.56Å; R128-D383 IonicContact NE-OD1 2.72Å; R128-D383 PolarHBondContact NE-OD1 2.67Å; R128-D383 IonicContact NH2-OD1 3.71Å; R128-D383 PolarHBondContact NH2-OD1 3.24Å; P130-D383 WeakPolarHBondContact CA-OD2 3.36Å; V131-D383 PolarHBondContact N-OD2 2.93Å; D383-K385 PolarHBondContact O-N 3.37Å; D383-K385 VanDerWaalsContact O-N 3.15Å; D383-L386 PolarHBondContact O-N 3.46Å; D383-Q387 HydrophobicContact CB-CG 4.3Å; D383-Q387 WeakPolarHBondContact O-CB 3.25Å; D383-Q387 VanDerWaalsContact O-CG 3.28Å; D383-Q387 WeakPolarHBondContact O-CG 3.45Å; D383-Q387 PolarHBondContact O-N 2.78Å
384	E	98.5	Very high	98.3	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.019	6%	0.06	C	C	.	.	H	α-helix	trans	-57.5	-34.5	-179.7	-54.9	78.2	-164	0	0	111.7	F318 L321 G382 L386 Q387 A388	F318-E384 HydrophobicContact CD2-CB 4.45Å; F318-E384 HydrophobicContact CE2-CB 4.19Å; L321-E384 HydrophobicContact CB-CB 3.77Å; L321-E384 HydrophobicContact CB-CG 3.72Å; L321-E384 HydrophobicContact CD1-CB 4.26Å; G382-E384 VanDerWaalsContact C-OE2 3.23Å; G382-E384 VanDerWaalsContact CA-OE2 3.3Å; G382-E384 WeakPolarHBondContact CA-OE2 3.41Å; G382-E384 PolarHBondContact N-OE2 3.32Å; G382-E384 PolarHBondContact O-N 3.05Å; E384-L386 PolarHBondContact O-N 3.44Å; E384-Q387 PolarHBondContact O-N 3.22Å; E384-A388 WeakPolarHBondContact O-CB 3.34Å; E384-A388 PolarHBondContact O-N 2.86Å; E384-A388 VanDerWaalsContact O-N 3.11Å
385	K	98.7	Very high	98.4	Very high	5 Å²	5	14 Å²	14	2%	0.022	6%	0.063	C	C	.	.	H	α-helix	trans	-62.2	-28.6	178	-64.6	-177	-68	158.7	0	113.2	F318 F350 C351 H352 Q361 H363 L381 G382 D383 P389	F318-K385 HydrophobicContact CE2-CG 4.26Å; F318-K385 HydrophobicContact CZ-CG 4.4Å; F350-K385 HydrophobicContact CB-CD 4.14Å; F350-K385 HydrophobicContact CB-CG 4.2Å; F350-K385 WeakPolarHBondContact O-CB 3.4Å; F350-K385 WeakPolarHBondContact O-CD 3.42Å; C351-K385 VanDerWaalsContact CA-O 3.23Å; C351-K385 WeakPolarHBondContact CA-O 3.34Å; H352-K385 PolarHBondContact N-O 3.04Å; Q361-K385 VanDerWaalsContact CD-NZ 3.29Å; H363-K385 PolarHBondContact NE2-NZ 3.48Å; L381-K385 HydrophobicContact CB-CD 3.86Å; L381-K385 HydrophobicContact CB-CG 3.96Å; L381-K385 HydrophobicContact CD1-CD 4.09Å; L381-K385 HydrophobicContact CD1-CG 3.85Å; G382-K385 VanDerWaalsContact O-CE 3.3Å; G382-K385 WeakPolarHBondContact O-CE 3.46Å; D383-K385 PolarHBondContact O-N 3.37Å; D383-K385 VanDerWaalsContact O-N 3.15Å; K385-P389 VanDerWaalsContact O-CD 3.27Å; K385-P389 WeakPolarHBondContact O-CD 3.4Å
386	L	98.8	Very high	98.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-98.6	-39.7	178.2	176.7	62.5	0	0	0	111.7	I117 H352 L353 Q355 D383 E384 A388 P389 M390	I117-L386 HydrophobicContact CD1-CD2 3.93Å; I117-L386 HydrophobicContact CD1-CG 3.97Å; I117-L386 HydrophobicContact CG1-CD2 3.95Å; I117-L386 HydrophobicContact CG1-CG 4.26Å; I117-L386 HydrophobicContact CG2-CD2 4.01Å; H352-L386 WeakPolarHBondContact O-CD1 3.33Å; L353-L386 HydrophobicContact CD2-CD1 4.3Å; Q355-L386 VanDerWaalsContact OE1-CD2 3.32Å; D383-L386 PolarHBondContact O-N 3.46Å; E384-L386 PolarHBondContact O-N 3.44Å; L386-A388 PolarHBondContact O-N 3.01Å; L386-P389 WeakPolarHBondContact O-CD 3.15Å; L386-M390 HydrophobicContact CD1-CG 4.22Å; L386-M390 HydrophobicContact CD1-SD 3.98Å; L386-M390 HydrophobicContact CG-SD 3.97Å; L386-M390 WeakPolarHBondContact O-CB 3.41Å; L386-M390 VanDerWaalsContact O-CG 3.31Å; L386-M390 WeakPolarHBondContact O-CG 3.33Å; L386-M390 PolarHBondContact O-N 3.11Å
387	Q	98.8	Very high	98.5	Very high	17 Å²	17	13.4 Å²	13.4	8%	0.079	7%	0.066	C	C	.	.	H	α-helix	trans	-60	-43.7	-179.5	-74	168.2	-30.3	0	0	112.2	L110 V113 D114 I117 L321 D383 E384 M390 A391	L110-Q387 HydrophobicContact CD1-CB 4.15Å; L110-Q387 HydrophobicContact CD1-CG 4.2Å; V113-Q387 HydrophobicContact CG1-CB 4.14Å; V113-Q387 HydrophobicContact CG1-CG 4.12Å; D114-Q387 PolarHBondContact OD1-NE2 3.44Å; I117-Q387 HydrophobicContact CD1-CG 3.74Å; L321-Q387 HydrophobicContact CD1-CB 3.73Å; D383-Q387 HydrophobicContact CB-CG 4.3Å; D383-Q387 WeakPolarHBondContact O-CB 3.25Å; D383-Q387 VanDerWaalsContact O-CG 3.28Å; D383-Q387 WeakPolarHBondContact O-CG 3.45Å; D383-Q387 PolarHBondContact O-N 2.78Å; E384-Q387 PolarHBondContact O-N 3.22Å; Q387-M390 PolarHBondContact O-N 2.95Å; Q387-A391 PolarHBondContact O-N 2.9Å
388	A	98.9	Very high	98.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.4	-52.4	-177.5	0	0	0	0	0	113	V314 F318 L321 E384 L386 M390 A391	V314-A388 HydrophobicContact CG1-CB 4.22Å; F318-A388 HydrophobicContact CB-CB 3.65Å; F318-A388 HydrophobicContact CD2-CB 3.92Å; F318-A388 HydrophobicContact CG-CB 4.19Å; L321-A388 HydrophobicContact CD1-CB 4.05Å; E384-A388 WeakPolarHBondContact O-CB 3.34Å; E384-A388 PolarHBondContact O-N 2.86Å; E384-A388 VanDerWaalsContact O-N 3.11Å; L386-A388 PolarHBondContact O-N 3.01Å; A388-M390 VanDerWaalsContact C-N 3.26Å; A388-M390 PolarHBondContact O-N 3.47Å; A388-A391 WeakPolarHBondContact O-CB 3.39Å; A388-A391 PolarHBondContact O-N 3.35Å; A388-A391 VanDerWaalsContact O-N 3.15Å
389	P	98.9	Very high	98.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-59.5	-35.4	173.7	-28.6	37.3	0	0	0	113.6	V314 C351 L353 K385 L386 A391 L392 F544	V314-P389 HydrophobicContact CG1-CG 4.46Å; C351-P389 HydrophobicContact CB-CG 3.5Å; C351-P389 VanDerWaalsContact CB-CG 3.5Å; L353-P389 HydrophobicContact CD2-CB 3.73Å; L353-P389 HydrophobicContact CG-CB 3.94Å; K385-P389 VanDerWaalsContact O-CD 3.27Å; K385-P389 WeakPolarHBondContact O-CD 3.4Å; L386-P389 WeakPolarHBondContact O-CD 3.15Å; P389-A391 PolarHBondContact O-N 3.47Å; P389-L392 WeakPolarHBondContact O-CB 3.48Å; P389-L392 WeakPolarHBondContact O-CG 3.29Å; P389-L392 PolarHBondContact O-N 3.48Å; P389-L392 VanDerWaalsContact O-N 3.09Å; P389-F544 HydrophobicContact CB-CD1 4.36Å; P389-F544 HydrophobicContact CB-CD2 3.93Å; P389-F544 HydrophobicContact CB-CE1 4.34Å; P389-F544 HydrophobicContact CB-CE2 3.9Å; P389-F544 HydrophobicContact CB-CG 4.17Å; P389-F544 HydrophobicContact CB-CZ 4.12Å; P389-F544 HydrophobicContact CG-CD1 3.94Å; P389-F544 HydrophobicContact CG-CD2 4.4Å; P389-F544 HydrophobicContact CG-CE1 3.88Å; P389-F544 HydrophobicContact CG-CE2 4.34Å; P389-F544 HydrophobicContact CG-CG 4.21Å; P389-F544 HydrophobicContact CG-CZ 4.09Å
390	M	98.8	Very high	98.5	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.015	5%	0.052	C	C	.	.	H	α-helix	trans	-65.4	-17.4	178.8	-77.5	-169	58.3	0	0	113.7	V113 A116 I117 L353 L386 Q387 A388 L392 F393 Y394 F550	V113-M390 HydrophobicContact CG1-CB 3.69Å; V113-M390 HydrophobicContact CG1-CE 4.32Å; V113-M390 HydrophobicContact CG1-SD 4.47Å; V113-M390 HydrophobicContact CG2-CB 4.4Å; A116-M390 HydrophobicContact CB-CE 3.63Å; I117-M390 HydrophobicContact CD1-SD 3.85Å; I117-M390 HydrophobicContact CG1-CE 3.7Å; I117-M390 HydrophobicContact CG1-SD 3.27Å; I117-M390 WeakPolarHBondContact CG1-SD 3.18Å; L353-M390 HydrophobicContact CD2-CG 3.71Å; L386-M390 HydrophobicContact CD1-CG 4.22Å; L386-M390 HydrophobicContact CD1-SD 3.98Å; L386-M390 HydrophobicContact CG-SD 3.97Å; L386-M390 WeakPolarHBondContact O-CB 3.41Å; L386-M390 VanDerWaalsContact O-CG 3.31Å; L386-M390 WeakPolarHBondContact O-CG 3.33Å; L386-M390 PolarHBondContact O-N 3.11Å; Q387-M390 PolarHBondContact O-N 2.95Å; A388-M390 VanDerWaalsContact C-N 3.26Å; A388-M390 PolarHBondContact O-N 3.47Å; M390-L392 PolarHBondContact O-N 3.3Å; M390-F393 PolarHBondContact O-N 2.87Å; M390-Y394 HydrophobicContact CE-CE2 4.27Å; M390-Y394 PolarHBondContact O-N 3.34Å; M390-F550 HydrophobicContact CE-CE2 4.47Å; M390-F550 HydrophobicContact CE-CZ 3.99Å; M390-F550 HydrophobicContact CG-CE2 4.34Å; M390-F550 HydrophobicContact CG-CZ 3.88Å; M390-F550 HydrophobicContact SD-CE2 4.03Å; M390-F550 HydrophobicContact SD-CZ 3.91Å
391	A	98.8	Very high	98.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.8	171.2	0	0	0	0	0	112.9	Q387 A388 P389 F393 Y394 P395 T397 F398	Q387-A391 PolarHBondContact O-N 2.9Å; A388-A391 WeakPolarHBondContact O-CB 3.39Å; A388-A391 PolarHBondContact O-N 3.35Å; A388-A391 VanDerWaalsContact O-N 3.15Å; P389-A391 PolarHBondContact O-N 3.47Å; A391-F393 PolarHBondContact O-N 3.37Å; A391-Y394 CarbonylContact O-C 3.27Å; A391-Y394 PolarHBondContact O-N 3.06Å; A391-P395 WeakPolarHBondContact O-CA 3.43Å; A391-T397 HydrophobicContact CB-CG2 4.13Å; A391-F398 HydrophobicContact CB-CD1 4.14Å; A391-F398 HydrophobicContact CB-CE1 3.49Å; A391-F398 VanDerWaalsContact CB-CE1 3.49Å; A391-F398 HydrophobicContact CB-CZ 3.72Å
392	L	98.9	Very high	98.3	Very high	0 Å²	0	11 Å²	11	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24	172.6	-66.5	172.2	0	0	0	113	Y309 V314 P389 M390 F398 L511 L542 F544	Y309-L392 HydrophobicContact CD2-CD2 3.66Å; Y309-L392 HydrophobicContact CE2-CB 4.45Å; Y309-L392 HydrophobicContact CE2-CD2 3.67Å; Y309-L392 PolarHBondContact OH-O 2.94Å; V314-L392 HydrophobicContact CG2-CD1 4.03Å; V314-L392 HydrophobicContact CG2-CD2 3.74Å; V314-L392 HydrophobicContact CG2-CG 3.68Å; P389-L392 WeakPolarHBondContact O-CB 3.48Å; P389-L392 WeakPolarHBondContact O-CG 3.29Å; P389-L392 PolarHBondContact O-N 3.48Å; P389-L392 VanDerWaalsContact O-N 3.09Å; M390-L392 PolarHBondContact O-N 3.3Å; L392-F398 HydrophobicContact CD2-CZ 4.24Å; L392-L511 WeakPolarHBondContact O-CB 3.29Å; L392-L511 PolarHBondContact O-N 3.32Å; L392-L542 HydrophobicContact CD1-CD1 3.36Å; L392-F544 HydrophobicContact CD1-CE2 4.03Å
393	F	98.8	Very high	98.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-14.5	176.7	-55.2	-90.1	0	0	0	112.6	L353 M390 A391 L511 D512 F550 L551	L353-F393 HydrophobicContact CD1-CE2 4.31Å; L353-F393 HydrophobicContact CD2-CE2 4.42Å; M390-F393 PolarHBondContact O-N 2.87Å; A391-F393 PolarHBondContact O-N 3.37Å; F393-L511 HydrophobicContact CD1-CB 4.25Å; F393-L511 HydrophobicContact CE1-CB 4.28Å; F393-L511 HydrophobicContact CE1-CD2 4.44Å; F393-L511 HydrophobicContact CZ-CD2 4.41Å; F393-D512 HydrophobicContact CD1-CB 3.94Å; F393-D512 HydrophobicContact CE1-CB 4.24Å; F393-F550 HydrophobicContact CD1-CE1 4.48Å; F393-F550 AromaticContact CD2-CE1 3.83Å; F393-F550 HydrophobicContact CD2-CE1 3.83Å; F393-F550 HydrophobicContact CE1-CD1 4.47Å; F393-F550 HydrophobicContact CE1-CE1 4.13Å; F393-F550 AromaticContact CE2-CD1 3.93Å; F393-F550 HydrophobicContact CE2-CD1 3.93Å; F393-F550 AromaticContact CE2-CE1 3.44Å; F393-F550 HydrophobicContact CE2-CE1 3.44Å; F393-F550 VanDerWaalsContact CE2-CE1 3.44Å; F393-F550 HydrophobicContact CE2-CZ 4.46Å; F393-F550 HydrophobicContact CG-CE1 4.34Å; F393-F550 AromaticContact CZ-CD1 3.78Å; F393-F550 HydrophobicContact CZ-CD1 3.78Å; F393-F550 AromaticContact CZ-CE1 3.6Å; F393-F550 HydrophobicContact CZ-CE1 3.6Å; F393-L551 HydrophobicContact CE1-CD1 3.74Å; F393-L551 HydrophobicContact CZ-CD1 4.28Å
394	Y	98.6	Very high	98	Very high	36 Å²	36	18 Å²	18	14%	0.141	11%	0.109	C	C	.	.	S	Bend	trans	-135.4	64.9	179.3	-61.6	-80.7	0	0	0	110.1	M112 V113 A116 M390 A391 A396 T397 R554	M112-Y394 HydrophobicContact CB-CD1 3.6Å; M112-Y394 HydrophobicContact CB-CE1 3.89Å; M112-Y394 HydrophobicContact CB-CG 4.24Å; V113-Y394 HydrophobicContact CG2-CD2 3.75Å; V113-Y394 HydrophobicContact CG2-CG 4Å; A116-Y394 HydrophobicContact CB-CE2 3.55Å; A116-Y394 WeakPolarHBondContact CB-OH 3.32Å; M390-Y394 HydrophobicContact CE-CE2 4.27Å; M390-Y394 PolarHBondContact O-N 3.34Å; A391-Y394 CarbonylContact O-C 3.27Å; A391-Y394 PolarHBondContact O-N 3.06Å; Y394-A396 PolarHBondContact O-N 2.94Å; Y394-T397 VanDerWaalsContact O-CB 3.28Å; Y394-T397 WeakPolarHBondContact O-CB 3.36Å; Y394-T397 PolarHBondContact O-N 2.83Å; Y394-T397 PolarHBondContact O-OG1 2.76Å; Y394-R554 PolarHBondContact OH-NH2 2.96Å
395	P	98.4	Very high	97.9	Very high	9 Å²	9	18 Å²	18	6%	0.058	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-69.6	-9.6	-166.4	27.8	-37.8	0	0	0	114.3	Y309 A391 T397 F398 A508	Y309-P395 HydrophobicContact CD1-CB 3.98Å; Y309-P395 HydrophobicContact CE1-CB 3.72Å; Y309-P395 HydrophobicContact CE1-CG 3.95Å; A391-P395 WeakPolarHBondContact O-CA 3.43Å; P395-T397 PolarHBondContact O-N 2.82Å; P395-F398 HydrophobicContact CB-CD2 3.74Å; P395-F398 HydrophobicContact CB-CE2 3.83Å; P395-F398 VanDerWaalsContact O-CB 3.29Å; P395-F398 WeakPolarHBondContact O-CB 3.34Å; P395-F398 VanDerWaalsContact O-CD2 3.29Å; P395-F398 WeakPolarHBondContact O-CD2 3.27Å; P395-F398 PolarHBondContact O-N 2.95Å; P395-A508 HydrophobicContact CB-CB 3.67Å; P395-A508 HydrophobicContact CG-CB 3.52Å; P395-A508 WeakPolarHBondContact CG-O 3.34Å
396	A	98.1	Very high	97.7	Very high	41 Å²	41	17.8 Å²	17.8	34%	0.339	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-55.6	-27.4	165	0	0	0	0	0	112.4	Q105 Y394 F398 G399	Q105-A396 CarbonylContact C-O 3.53Å; Q105-A396 HydrophobicContact CG-CB 4.03Å; Y394-A396 PolarHBondContact O-N 2.94Å; A396-F398 PolarHBondContact O-N 3.49Å; A396-F398 VanDerWaalsContact O-N 3.15Å; A396-G399 PolarHBondContact O-N 3.05Å
397	T	98.7	Very high	97.5	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-59.5	-23.4	173.6	-46.8	0	0	0	0	112.1	R106 G109 L110 A391 Y394 P395 G399	R106-T397 WeakPolarHBondContact CG-O 3.36Å; G109-T397 WeakPolarHBondContact CA-OG1 3.15Å; G109-T397 PolarHBondContact O-OG1 3.19Å; L110-T397 HydrophobicContact CB-CG2 4.23Å; L110-T397 HydrophobicContact CD1-CG2 4.42Å; L110-T397 PolarHBondContact N-OG1 3.44Å; A391-T397 HydrophobicContact CB-CG2 4.13Å; Y394-T397 VanDerWaalsContact O-CB 3.28Å; Y394-T397 WeakPolarHBondContact O-CB 3.36Å; Y394-T397 PolarHBondContact O-N 2.83Å; Y394-T397 PolarHBondContact O-OG1 2.76Å; P395-T397 PolarHBondContact O-N 2.82Å; T397-G399 PolarHBondContact O-N 3.49Å
398	F	98.6	Very high	97.1	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-69.3	-21.1	175	-61.5	-44.4	0	0	0	112.8	Y309 D313 V314 R316 C317 A391 L392 P395 A396 I400	Y309-F398 HydrophobicContact CD1-CE2 4.46Å; Y309-F398 AromaticContact CD2-CE2 3.72Å; Y309-F398 HydrophobicContact CD2-CE2 3.72Å; Y309-F398 HydrophobicContact CD2-CZ 4.41Å; Y309-F398 HydrophobicContact CE2-CE2 4.38Å; Y309-F398 HydrophobicContact CG-CD2 4.27Å; Y309-F398 AromaticContact CG-CE2 3.76Å; Y309-F398 HydrophobicContact CG-CE2 3.76Å; D313-F398 HydrophobicContact CB-CD1 3.73Å; D313-F398 HydrophobicContact CB-CD2 4.2Å; D313-F398 HydrophobicContact CB-CE1 3.62Å; D313-F398 HydrophobicContact CB-CE2 4.11Å; D313-F398 HydrophobicContact CB-CG 4.03Å; D313-F398 HydrophobicContact CB-CZ 3.82Å; D313-F398 WeakPolarHBondContact O-CE1 3.38Å; V314-F398 HydrophobicContact CG2-CE1 4.41Å; V314-F398 HydrophobicContact CG2-CZ 4.26Å; R316-F398 PolarHBondContact NH1-O 3.12Å; C317-F398 HydrophobicContact CB-CD1 4.27Å; C317-F398 HydrophobicContact CB-CE1 4.23Å; A391-F398 HydrophobicContact CB-CD1 4.14Å; A391-F398 HydrophobicContact CB-CE1 3.49Å; A391-F398 VanDerWaalsContact CB-CE1 3.49Å; A391-F398 HydrophobicContact CB-CZ 3.72Å; L392-F398 HydrophobicContact CD2-CZ 4.24Å; P395-F398 HydrophobicContact CB-CD2 3.74Å; P395-F398 HydrophobicContact CB-CE2 3.83Å; P395-F398 VanDerWaalsContact O-CB 3.29Å; P395-F398 WeakPolarHBondContact O-CB 3.34Å; P395-F398 VanDerWaalsContact O-CD2 3.29Å; P395-F398 WeakPolarHBondContact O-CD2 3.27Å; P395-F398 PolarHBondContact O-N 2.95Å; A396-F398 PolarHBondContact O-N 3.49Å; A396-F398 VanDerWaalsContact O-N 3.15Å; F398-I400 HydrophobicContact CB-CD1 3.72Å; F398-I400 HydrophobicContact CB-CG1 3.88Å
399	G	98	Very high	96.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.136	C	C	.	.			trans	65.2	40	178.2	0	0	0	0	0	112.7	S102 A396 T397	S102-G399 VanDerWaalsContact CB-O 3.22Å; S102-G399 WeakPolarHBondContact CB-O 3.22Å; S102-G399 WeakPolarHBondContact O-CA 3.49Å; S102-G399 PolarHBondContact OG-O 3.31Å; S102-G399 VanDerWaalsContact OG-O 3.12Å; A396-G399 PolarHBondContact O-N 3.05Å; T397-G399 PolarHBondContact O-N 3.49Å
400	I	98.2	Very high	95.4	Very high	11 Å²	11	28 Å²	28	6%	0.056	16%	0.159	C	C	.	.			trans	-103.1	119.2	-177.9	-46.9	160	0	0	0	109.2	E95 G96 L97 Q105 F398 Q403 M405	E95-I400 WeakPolarHBondContact O-CG2 3.39Å; G96-I400 WeakPolarHBondContact O-CA 3.43Å; L97-I400 HydrophobicContact CD2-CG1 3.7Å; Q105-I400 PolarHBondContact OE1-O 2.84Å; F398-I400 HydrophobicContact CB-CD1 3.72Å; F398-I400 HydrophobicContact CB-CG1 3.88Å; I400-Q403 HydrophobicContact CG2-CB 4.23Å; I400-Q403 HydrophobicContact CG2-CG 3.86Å; I400-M405 HydrophobicContact CB-CE 3.47Å; I400-M405 VanDerWaalsContact CB-CE 3.47Å; I400-M405 HydrophobicContact CB-SD 4.42Å; I400-M405 HydrophobicContact CD1-CE 3.94Å; I400-M405 HydrophobicContact CD1-SD 4.32Å; I400-M405 HydrophobicContact CG1-CE 4.31Å; I400-M405 HydrophobicContact CG2-CE 3.15Å
401	V	97.3	Very high	93.7	Very high	26 Å²	26	39 Å²	39	16%	0.158	20%	0.201	C	C	.	.			trans	-124	142.5	-171.5	-179.4	0	0	0	0	110.8	G96 K99 E101	G96-V401 VanDerWaalsContact CA-O 3.26Å; G96-V401 WeakPolarHBondContact CA-O 3.3Å; G96-V401 PolarHBondContact O-N 2.83Å; K99-V401 HydrophobicContact CB-CB 3.92Å; K99-V401 HydrophobicContact CB-CG1 4.17Å; K99-V401 HydrophobicContact CG-CB 3.99Å; K99-V401 HydrophobicContact CG-CG1 4.34Å; E101-V401 HydrophobicContact CB-CG2 4.36Å
402	G	93.9	Very high	92	Very high	67 Å²	67	40.6 Å²	40.6	69%	0.691	21%	0.212	S	C	*	.	S	Bend	trans	72.4	35.4	174.2	0	0	0	0	0	113.6
403	Q	95	Very high	90.1	Very high	53 Å²	53	48.2 Å²	48.2	25%	0.248	25%	0.248	C	C	.	.	S	Bend	trans	-136.2	149.9	-175.7	-62.7	-67.7	-57.1	0	0	109.5	E95 I400 M405	E95-Q403 PolarHBondContact OE2-NE2 3.48Å; I400-Q403 HydrophobicContact CG2-CB 4.23Å; I400-Q403 HydrophobicContact CG2-CG 3.86Å; Q403-M405 HydrophobicContact CB-CE 3.5Å; Q403-M405 VanDerWaalsContact CB-CE 3.5Å; Q403-M405 HydrophobicContact CG-CE 4.31Å; Q403-M405 PolarHBondContact O-N 3.4Å
404	K	94.7	Very high	88.3	Confident	104 Å²	104	49.2 Å²	49.2	45%	0.452	26%	0.258	S	S	.	.			trans	-71.5	111.6	169.8	180	164	-179.6	150.9	0	109.3	T406 T407 E505	K404-T406 WeakPolarHBondContact CE-O 3.12Å; K404-T407 VanDerWaalsContact CE-OG1 3.3Å; K404-T407 WeakPolarHBondContact CE-OG1 3.5Å; K404-E505 VanDerWaalsContact CE-CD 3.48Å; K404-E505 WeakPolarHBondContact CE-OE2 3.49Å; K404-E505 HydrophobicContact CG-CB 4.31Å; K404-E505 IonicContact NZ-OE1 3.02Å; K404-E505 PolarHBondContact NZ-OE1 2.82Å; K404-E505 IonicContact NZ-OE2 3.36Å; K404-E505 PolarHBondContact NZ-OE2 2.82Å
405	M	96.6	Very high	86.9	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.02	26%	0.255	C	S	.	.			trans	-99.4	-29.4	-174.7	-74.8	-70	141.1	0	0	113.3	L307 A308 I400 Q403 E505 A508	L307-M405 WeakPolarHBondContact CA-O 3.41Å; A308-M405 PolarHBondContact N-O 3.15Å; I400-M405 HydrophobicContact CB-CE 3.47Å; I400-M405 VanDerWaalsContact CB-CE 3.47Å; I400-M405 HydrophobicContact CB-SD 4.42Å; I400-M405 HydrophobicContact CD1-CE 3.94Å; I400-M405 HydrophobicContact CD1-SD 4.32Å; I400-M405 HydrophobicContact CG1-CE 4.31Å; I400-M405 HydrophobicContact CG2-CE 3.15Å; Q403-M405 HydrophobicContact CB-CE 3.5Å; Q403-M405 VanDerWaalsContact CB-CE 3.5Å; Q403-M405 HydrophobicContact CG-CE 4.31Å; Q403-M405 PolarHBondContact O-N 3.4Å; M405-E505 PolarHBondContact N-O 2.96Å; M405-A508 HydrophobicContact CB-CB 3.85Å; M405-A508 HydrophobicContact CG-CB 3.88Å; M405-A508 HydrophobicContact SD-CB 4.04Å
406	T	95.3	Very high	85.5	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.5	-178.2	-52.6	0	0	0	0	108.6	L305 C306 L307 K404 F504 E505 K507	L305-T406 HydrophobicContact CD2-CG2 3.67Å; C306-T406 CarbonylContact O-C 3.56Å; L307-T406 HydrophobicContact CD2-CG2 3.96Å; K404-T406 WeakPolarHBondContact CE-O 3.12Å; T406-F504 HydrophobicContact CG2-CD1 4.16Å; T406-F504 HydrophobicContact CG2-CE1 3.57Å; T406-F504 HydrophobicContact CG2-CZ 4.24Å; T406-E505 PolarHBondContact N-O 2.95Å; T406-E505 WeakPolarHBondContact O-CA 3.24Å; T406-E505 WeakPolarHBondContact O-CB 3.49Å; T406-E505 WeakPolarHBondContact O-CG 3.44Å; T406-K507 PolarHBondContact OG1-O 2.8Å
407	T	94.5	Very high	84.1	Confident	40 Å²	40	58.3 Å²	58.3	25%	0.245	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.3	176.3	-55.5	0	0	0	0	109	I239 L305 C306 K404	I239-T407 HydrophobicContact CD1-CG2 4.46Å; I239-T407 HydrophobicContact CG2-CG2 4.41Å; L305-T407 WeakPolarHBondContact CA-O 3.31Å; C306-T407 PolarHBondContact N-O 3.02Å; C306-T407 PolarHBondContact O-N 3.3Å; K404-T407 VanDerWaalsContact CE-OG1 3.3Å; K404-T407 WeakPolarHBondContact CE-OG1 3.5Å
408	L	91.2	Very high	82.9	Confident	47 Å²	47	58.6 Å²	58.6	25%	0.246	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	157.3	169.9	-65.4	170	0	0	0	109.1	L305 H410 F504	L305-L408 HydrophobicContact CD2-CD2 3.35Å; L305-L408 HydrophobicContact CD2-CG 4.38Å; L305-L408 HydrophobicContact CG-CD2 3.85Å; L408-H410 PolarHBondContact O-N 2.99Å; L408-F504 HydrophobicContact CD1-CD1 4.04Å; L408-F504 HydrophobicContact CD1-CE1 3.93Å; L408-F504 HydrophobicContact CD2-CE1 4.21Å; L408-F504 HydrophobicContact CG-CE1 4.12Å
409	Q	86.6	Confident	81.6	Confident	37 Å²	37	62 Å²	62	17%	0.173	33%	0.329	C	S	.	.			trans	-68.6	106.1	169.1	-173.1	71.6	61.7	0	0	108.9	I239 R304	I239-Q409 HydrophobicContact CD1-CB 4.47Å; I239-Q409 HydrophobicContact CG1-CB 4.34Å; R304-Q409 HydrophobicContact CB-CB 4.21Å
410	H	74.5	Confident	80.5	Confident	106 Å²	106	66.9 Å²	66.9	49%	0.491	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-72.9	160.3	171.1	59.4	-176.6	0	0	0	111.9	L408	L408-H410 PolarHBondContact O-N 2.99Å
411	R	63	Low	79.5	Confident	234 Å²	234	67 Å²	67	88%	0.883	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-57.2	145.1	162	-74.2	-173.6	178.5	-169	-1.9	108.6	Q413	R411-Q413 PolarHBondContact O-N 3.11Å
412	S	63	Low	78.3	Confident	35 Å²	35	72.2 Å²	72.2	25%	0.245	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-46.8	140.2	-179.2	-157.3	0	0	0	0	110	K242 H423	K242-S412 PolarHBondContact NZ-OG 2.97Å; S412-H423 PolarHBondContact O-CE1 3.12Å; S412-H423 PolarHBondContact O-NE2 2.99Å
413	Q	59.5	Low	77.3	Confident	160 Å²	160	72.8 Å²	72.8	75%	0.748	36%	0.359	S	S	*	.			trans	-89.5	4	172.3	-69.8	-166.9	-14.2	0	0	112.3	R411	R411-Q413 PolarHBondContact O-N 3.11Å
414	G	60.9	Low	76.2	Confident	21 Å²	21	75.8 Å²	75.8	22%	0.216	37%	0.369	C	S	.	.			trans	75.1	149.7	-169.3	0	0	0	0	0	112.8	D421 H423	G414-D421 VanDerWaalsContact CA-CG 3.4Å; G414-D421 WeakPolarHBondContact CA-OD1 3.47Å; G414-D421 WeakPolarHBondContact CA-OD2 3.16Å; G414-H423 PolarHBondContact N-CD2 2.81Å
415	D	69.3	Low	75.4	Confident	14 Å²	14	74 Å²	74	8%	0.075	36%	0.364	C	S	.	.			trans	-99.8	111.6	165.9	-175.1	-10.9	0	0	0	109.2	E417 D418 D421	D415-E417 PolarHBondContact O-N 3Å; D415-E417 PolarHBondContact OD1-N 2.83Å; D415-D418 HydrophobicContact CB-CB 3.81Å; D415-D418 PolarHBondContact O-N 2.98Å; D415-D421 VanDerWaalsContact N-CG 3.25Å; D415-D421 PolarHBondContact N-OD2 3.43Å
416	P	68.3	Low	74.4	Confident	121 Å²	121	78.3 Å²	78.3	79%	0.786	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17.5	-177.9	27.3	-34.3	0	0	0	113.3
417	E	68.3	Low	73.2	Confident	141 Å²	141	80.6 Å²	80.6	66%	0.659	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-1.5	175.8	-62.6	-171.5	165.6	0	0	112.8	K246 D415 P419	K246-E417 IonicContact NZ-OE2 3Å; K246-E417 PolarHBondContact NZ-OE2 3.39Å; D415-E417 PolarHBondContact O-N 3Å; D415-E417 PolarHBondContact OD1-N 2.83Å; E417-P419 WeakPolarHBondContact O-CD 3.36Å
418	D	74.3	Confident	72.1	Confident	7 Å²	7	80.9 Å²	80.9	4%	0.037	41%	0.408	C	S	.	.			trans	-103.9	105.3	178.2	178.3	20.6	0	0	0	111.4	D415 H420 D421 R617	D415-D418 HydrophobicContact CB-CB 3.81Å; D415-D418 PolarHBondContact O-N 2.98Å; D418-H420 PolarHBondContact O-N 3.42Å; D418-H420 PolarHBondContact OD1-N 3.18Å; D418-H420 VanDerWaalsContact OD1-N 3.09Å; D418-D421 HydrophobicContact CB-CB 4.01Å; D418-D421 VanDerWaalsContact O-CB 3.23Å; D418-D421 WeakPolarHBondContact O-CB 3.28Å; D418-D421 PolarHBondContact O-N 2.8Å; D418-D421 PolarHBondContact OD2-N 3.02Å; D418-R617 IonicContact OD1-CZ 2.72Å; D418-R617 IonicContact OD1-NE 3.23Å; D418-R617 IonicContact OD1-NH1 2.94Å; D418-R617 PolarHBondContact OD1-NH1 2.84Å; D418-R617 IonicContact OD1-NH2 2.66Å; D418-R617 PolarHBondContact OD1-NH2 3.38Å; D418-R617 WeakPolarHBondContact OD2-CD 3.37Å; D418-R617 IonicContact OD2-CZ 3.5Å; D418-R617 IonicContact OD2-NE 3.05Å; D418-R617 PolarHBondContact OD2-NE 2.94Å; D418-R617 IonicContact OD2-NH1 3.39Å; D418-R617 PolarHBondContact OD2-NH1 2.89Å; D418-R617 IonicContact OD2-NH2 3.34Å
419	P	72.1	Confident	71.3	Confident	73 Å²	73	83.6 Å²	83.6	47%	0.474	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-8.4	-179.4	26.1	-33	0	0	0	113.9	E417 Y424	E417-P419 WeakPolarHBondContact O-CD 3.36Å; P419-Y424 VanDerWaalsContact O-CD1 3.25Å; P419-Y424 WeakPolarHBondContact O-CD1 3.48Å
420	H	74.4	Confident	70.3	Confident	103 Å²	103	84.2 Å²	84.2	48%	0.477	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	15.2	175	-55.6	74	0	0	0	112	D418	D418-H420 PolarHBondContact O-N 3.42Å; D418-H420 PolarHBondContact OD1-N 3.18Å; D418-H420 VanDerWaalsContact OD1-N 3.09Å
421	D	76.1	Confident	70	Confident	14 Å²	14	86 Å²	86	8%	0.075	43%	0.434	C	S	.	.			trans	-63.4	137.2	172.2	-177.7	-94.3	0	0	0	110.2	G414 D415 D418 H423 Y424 L425	G414-D421 VanDerWaalsContact CA-CG 3.4Å; G414-D421 WeakPolarHBondContact CA-OD1 3.47Å; G414-D421 WeakPolarHBondContact CA-OD2 3.16Å; D415-D421 VanDerWaalsContact N-CG 3.25Å; D415-D421 PolarHBondContact N-OD2 3.43Å; D418-D421 HydrophobicContact CB-CB 4.01Å; D418-D421 VanDerWaalsContact O-CB 3.23Å; D418-D421 WeakPolarHBondContact O-CB 3.28Å; D418-D421 PolarHBondContact O-N 2.8Å; D418-D421 PolarHBondContact OD2-N 3.02Å; D421-H423 PolarHBondContact O-N 3.28Å; D421-H423 WeakPolarHBondContact OD1-CA 3.4Å; D421-H423 VanDerWaalsContact OD1-CB 3.26Å; D421-H423 WeakPolarHBondContact OD1-CB 3.11Å; D421-H423 IonicContact OD1-CD2 3.43Å; D421-H423 IonicContact OD1-CG 3.59Å; D421-H423 PolarHBondContact OD1-N 3.11Å; D421-Y424 WeakPolarHBondContact O-CB 3.31Å; D421-Y424 PolarHBondContact O-N 3.3Å; D421-Y424 VanDerWaalsContact O-N 3.09Å; D421-Y424 PolarHBondContact OD1-N 3.48Å; D421-L425 WeakPolarHBondContact O-CG 3.19Å; D421-L425 PolarHBondContact O-N 3.08Å
422	E	72.4	Confident	70.2	Confident	134 Å²	134	81.4 Å²	81.4	63%	0.626	42%	0.422	S	S	*	.	H	α-helix	trans	-55.5	-40.3	-178.1	-173	-175.4	175.6	0	0	112	L425 L426	E422-L425 PolarHBondContact O-N 2.94Å; E422-L426 HydrophobicContact CG-CD1 4.07Å; E422-L426 WeakPolarHBondContact O-CB 3.1Å; E422-L426 VanDerWaalsContact O-CG 3.23Å; E422-L426 WeakPolarHBondContact O-CG 3.29Å; E422-L426 PolarHBondContact O-N 2.86Å
423	H	72.6	Confident	70.3	Confident	79 Å²	79	86.2 Å²	86.2	37%	0.366	44%	0.441	S	S	.	.	H	α-helix	trans	-71.4	-38.5	179.1	-65.7	-88.2	0	0	0	111.7	S412 G414 D421 A427	S412-H423 PolarHBondContact O-CE1 3.12Å; S412-H423 PolarHBondContact O-NE2 2.99Å; G414-H423 PolarHBondContact N-CD2 2.81Å; D421-H423 PolarHBondContact O-N 3.28Å; D421-H423 WeakPolarHBondContact OD1-CA 3.4Å; D421-H423 VanDerWaalsContact OD1-CB 3.26Å; D421-H423 WeakPolarHBondContact OD1-CB 3.11Å; D421-H423 IonicContact OD1-CD2 3.43Å; D421-H423 IonicContact OD1-CG 3.59Å; D421-H423 PolarHBondContact OD1-N 3.11Å; H423-A427 WeakPolarHBondContact O-CB 3.29Å; H423-A427 PolarHBondContact O-N 3.31Å
424	Y	72.6	Confident	70.4	Confident	116 Å²	116	84.9 Å²	84.9	46%	0.455	44%	0.435	S	S	.	.	H	α-helix	trans	-62.4	-45	174.3	-178.9	-94.3	0	0	0	111.4	P419 D421 A427 T428	P419-Y424 VanDerWaalsContact O-CD1 3.25Å; P419-Y424 WeakPolarHBondContact O-CD1 3.48Å; D421-Y424 WeakPolarHBondContact O-CB 3.31Å; D421-Y424 PolarHBondContact O-N 3.3Å; D421-Y424 VanDerWaalsContact O-N 3.09Å; D421-Y424 PolarHBondContact OD1-N 3.48Å; Y424-A427 PolarHBondContact O-N 3.36Å; Y424-T428 HydrophobicContact CD1-CG2 4.23Å; Y424-T428 HydrophobicContact CD2-CG2 4.46Å; Y424-T428 HydrophobicContact CE1-CG2 3.8Å; Y424-T428 HydrophobicContact CE2-CG2 4.06Å; Y424-T428 WeakPolarHBondContact O-CB 3.28Å; Y424-T428 WeakPolarHBondContact O-CG2 3.47Å; Y424-T428 PolarHBondContact O-N 3.33Å; Y424-T428 PolarHBondContact O-OG1 3.2Å
425	L	77.5	Confident	70.3	Confident	67 Å²	67	86.8 Å²	86.8	35%	0.351	45%	0.445	S	S	.	.	H	α-helix	trans	-64	-45.5	178.1	-69.2	175.1	0	0	0	111.9	D421 E422 A427 T428 Q429	D421-L425 WeakPolarHBondContact O-CG 3.19Å; D421-L425 PolarHBondContact O-N 3.08Å; E422-L425 PolarHBondContact O-N 2.94Å; L425-A427 PolarHBondContact O-N 3.21Å; L425-T428 WeakPolarHBondContact CA-OG1 3.34Å; L425-T428 PolarHBondContact O-N 2.92Å; L425-T428 PolarHBondContact O-OG1 3.4Å; L425-T428 VanDerWaalsContact O-OG1 3.08Å; L425-Q429 VanDerWaalsContact O-CB 3.29Å; L425-Q429 WeakPolarHBondContact O-CB 3.43Å; L425-Q429 VanDerWaalsContact O-CG 3.28Å; L425-Q429 WeakPolarHBondContact O-CG 3.38Å; L425-Q429 PolarHBondContact O-N 3.29Å
426	L	75.6	Confident	70.1	Confident	95 Å²	95	88.9 Å²	88.9	50%	0.497	46%	0.464	S	S	.	.	H	α-helix	trans	-63.1	-41.8	175.4	-71.9	168.9	0	0	0	112	E422 S430	E422-L426 HydrophobicContact CG-CD1 4.07Å; E422-L426 WeakPolarHBondContact O-CB 3.1Å; E422-L426 VanDerWaalsContact O-CG 3.23Å; E422-L426 WeakPolarHBondContact O-CG 3.29Å; E422-L426 PolarHBondContact O-N 2.86Å; L426-S430 PolarHBondContact O-N 3.02Å; L426-S430 PolarHBondContact O-OG 3.46Å
427	A	70.8	Confident	69.8	Low	48 Å²	48	90.6 Å²	90.6	40%	0.397	46%	0.459	S	S	.	.	H	α-helix	trans	-67.6	-36.1	179.3	0	0	0	0	0	112.3	H423 Y424 L425 S430 K431	H423-A427 WeakPolarHBondContact O-CB 3.29Å; H423-A427 PolarHBondContact O-N 3.31Å; Y424-A427 PolarHBondContact O-N 3.36Å; L425-A427 PolarHBondContact O-N 3.21Å; A427-S430 PolarHBondContact O-OG 3.27Å; A427-K431 WeakPolarHBondContact O-CG 3.49Å; A427-K431 PolarHBondContact O-N 2.94Å
428	T	70.9	Confident	69.3	Low	47 Å²	47	86.5 Å²	86.5	29%	0.288	45%	0.449	S	S	.	.	H	α-helix	trans	-79	-39.7	178.6	47.7	0	0	0	0	112.4	Y424 L425 K431 Q432	Y424-T428 HydrophobicContact CD1-CG2 4.23Å; Y424-T428 HydrophobicContact CD2-CG2 4.46Å; Y424-T428 HydrophobicContact CE1-CG2 3.8Å; Y424-T428 HydrophobicContact CE2-CG2 4.06Å; Y424-T428 WeakPolarHBondContact O-CB 3.28Å; Y424-T428 WeakPolarHBondContact O-CG2 3.47Å; Y424-T428 PolarHBondContact O-N 3.33Å; Y424-T428 PolarHBondContact O-OG1 3.2Å; L425-T428 WeakPolarHBondContact CA-OG1 3.34Å; L425-T428 PolarHBondContact O-N 2.92Å; L425-T428 PolarHBondContact O-OG1 3.4Å; L425-T428 VanDerWaalsContact O-OG1 3.08Å; T428-K431 PolarHBondContact O-N 3.4Å; T428-Q432 WeakPolarHBondContact O-CB 3.21Å; T428-Q432 PolarHBondContact O-N 3.24Å
429	Q	73.8	Confident	68.7	Low	104 Å²	104	89.9 Å²	89.9	49%	0.486	47%	0.471	S	S	.	.	H	α-helix	trans	-59.4	-46.8	172.8	-78.1	179.2	-5.1	0	0	111.5	L425 K431 Q432 E433	L425-Q429 VanDerWaalsContact O-CB 3.29Å; L425-Q429 WeakPolarHBondContact O-CB 3.43Å; L425-Q429 VanDerWaalsContact O-CG 3.28Å; L425-Q429 WeakPolarHBondContact O-CG 3.38Å; L425-Q429 PolarHBondContact O-N 3.29Å; Q429-K431 VanDerWaalsContact C-N 3.3Å; Q429-K431 PolarHBondContact O-N 3.25Å; Q429-Q432 PolarHBondContact O-N 3.12Å; Q429-Q432 VanDerWaalsContact O-N 3.09Å; Q429-E433 WeakPolarHBondContact O-CG 3.44Å; Q429-E433 PolarHBondContact O-N 2.92Å
430	S	67	Low	68	Low	50 Å²	50	89.1 Å²	89.1	35%	0.35	47%	0.47	S	S	.	.	H	α-helix	trans	-63.8	-35.5	179.1	76.5	0	0	0	0	112.7	L426 A427 Q434	L426-S430 PolarHBondContact O-N 3.02Å; L426-S430 PolarHBondContact O-OG 3.46Å; A427-S430 PolarHBondContact O-OG 3.27Å; S430-Q434 WeakPolarHBondContact O-CB 3.31Å; S430-Q434 WeakPolarHBondContact O-CG 3.49Å; S430-Q434 PolarHBondContact O-N 2.97Å
431	K	68.1	Low	67.1	Low	144 Å²	144	89.2 Å²	89.2	63%	0.626	47%	0.474	S	S	*	.	H	α-helix	trans	-67.3	-38.7	172.8	-76.8	178.8	179.7	179.9	0	112.2	A427 T428 Q429 Q434 S435	A427-K431 WeakPolarHBondContact O-CG 3.49Å; A427-K431 PolarHBondContact O-N 2.94Å; T428-K431 PolarHBondContact O-N 3.4Å; Q429-K431 VanDerWaalsContact C-N 3.3Å; Q429-K431 PolarHBondContact O-N 3.25Å; K431-Q434 PolarHBondContact O-N 3.43Å; K431-S435 WeakPolarHBondContact O-CB 3.48Å; K431-S435 PolarHBondContact O-N 3.45Å
432	Q	67	Low	66.2	Low	136 Å²	136	98.4 Å²	98.4	64%	0.636	51%	0.508	S	S	*	.	H	α-helix	trans	-68.2	-42.1	178.7	-153.6	170.2	13.7	0	0	110.8	T428 Q429 S435 A436	T428-Q432 WeakPolarHBondContact O-CB 3.21Å; T428-Q432 PolarHBondContact O-N 3.24Å; Q429-Q432 PolarHBondContact O-N 3.12Å; Q429-Q432 VanDerWaalsContact O-N 3.09Å; Q432-S435 PolarHBondContact O-N 3.16Å; Q432-S435 PolarHBondContact O-OG 2.94Å; Q432-A436 WeakPolarHBondContact O-CB 3.46Å; Q432-A436 PolarHBondContact O-N 3.1Å
433	E	65.9	Low	65.4	Low	137 Å²	137	99.8 Å²	99.8	64%	0.64	51%	0.512	S	S	*	.	H	α-helix	trans	-63.3	-42.6	172.6	-73	179.5	167	0	0	112.6	Q429 S435 A436 K437	Q429-E433 WeakPolarHBondContact O-CG 3.44Å; Q429-E433 PolarHBondContact O-N 2.92Å; E433-S435 VanDerWaalsContact C-N 3.34Å; E433-S435 PolarHBondContact O-N 3.36Å; E433-A436 PolarHBondContact O-N 2.85Å; E433-K437 PolarHBondContact O-N 3.36Å
434	Q	59.9	Low	64.3	Low	131 Å²	131	100.3 Å²	100.3	61%	0.612	53%	0.525	S	S	*	.	H	α-helix	trans	-63.2	-40.1	174.1	-75.9	172.6	15	0	0	111.9	S430 K431 K437 A438	S430-Q434 WeakPolarHBondContact O-CB 3.31Å; S430-Q434 WeakPolarHBondContact O-CG 3.49Å; S430-Q434 PolarHBondContact O-N 2.97Å; K431-Q434 PolarHBondContact O-N 3.43Å; Q434-K437 PolarHBondContact O-N 2.99Å; Q434-A438 WeakPolarHBondContact O-CB 3.41Å; Q434-A438 PolarHBondContact O-N 2.93Å
435	S	60.4	Low	63.2	Low	62 Å²	62	98.9 Å²	98.9	43%	0.434	54%	0.537	S	S	.	.	H	α-helix	trans	-67.2	-38.1	175.3	79.3	0	0	0	0	112	K431 Q432 E433 A438 T439	K431-S435 WeakPolarHBondContact O-CB 3.48Å; K431-S435 PolarHBondContact O-N 3.45Å; Q432-S435 PolarHBondContact O-N 3.16Å; Q432-S435 PolarHBondContact O-OG 2.94Å; E433-S435 VanDerWaalsContact C-N 3.34Å; E433-S435 PolarHBondContact O-N 3.36Å; S435-A438 PolarHBondContact O-N 2.91Å; S435-T439 WeakPolarHBondContact O-CB 3.24Å; S435-T439 PolarHBondContact O-N 2.68Å; S435-T439 PolarHBondContact O-OG1 2.92Å
436	A	64.3	Low	61.7	Low	57 Å²	57	99.7 Å²	99.7	47%	0.471	55%	0.548	S	S	.	.	H	α-helix	trans	-66.7	-40.9	176.4	0	0	0	0	0	111.3	Q432 E433 T439 A440	Q432-A436 WeakPolarHBondContact O-CB 3.46Å; Q432-A436 PolarHBondContact O-N 3.1Å; E433-A436 PolarHBondContact O-N 2.85Å; A436-T439 PolarHBondContact O-N 2.99Å; A436-A440 WeakPolarHBondContact O-CB 3.48Å; A436-A440 PolarHBondContact O-N 3.25Å
437	K	62.2	Low	59.9	Low	157 Å²	157	104.4 Å²	104.4	68%	0.683	56%	0.564	S	S	*	*	H	α-helix	trans	-61.3	-49.2	172	-110.1	178.9	175.8	177.2	0	112.2	E433 Q434 T439 A440 D441	E433-K437 PolarHBondContact O-N 3.36Å; Q434-K437 PolarHBondContact O-N 2.99Å; K437-T439 PolarHBondContact O-N 2.93Å; K437-A440 PolarHBondContact O-N 3.15Å; K437-A440 VanDerWaalsContact O-N 3.11Å; K437-D441 PolarHBondContact O-N 3.25Å
438	A	58	Low	58.4	Low	55 Å²	55	108.2 Å²	108.2	46%	0.455	59%	0.585	S	S	.	*	H	α-helix	trans	-61.9	-30.8	177.3	0	0	0	0	0	112.9	Q434 S435 R442	Q434-A438 WeakPolarHBondContact O-CB 3.41Å; Q434-A438 PolarHBondContact O-N 2.93Å; S435-A438 PolarHBondContact O-N 2.91Å; A438-R442 WeakPolarHBondContact O-CG 3.35Å; A438-R442 PolarHBondContact O-N 3.19Å
439	T	60.3	Low	56.7	Low	79 Å²	79	113.6 Å²	113.6	49%	0.485	61%	0.611	S	S	.	*	H	α-helix	trans	-77.8	-34.3	176.1	-47.9	0	0	0	0	111.8	S435 A436 K437 K443	S435-T439 WeakPolarHBondContact O-CB 3.24Å; S435-T439 PolarHBondContact O-N 2.68Å; S435-T439 PolarHBondContact O-OG1 2.92Å; A436-T439 PolarHBondContact O-N 2.99Å; K437-T439 PolarHBondContact O-N 2.93Å; T439-K443 PolarHBondContact O-N 3.43Å
440	A	58.9	Low	54.8	Low	57 Å²	57	112.3 Å²	112.3	47%	0.471	63%	0.625	S	S	.	*	H	α-helix	trans	-68.3	-41	173.1	0	0	0	0	0	111.8	A436 K437 R442 K443 S444	A436-A440 WeakPolarHBondContact O-CB 3.48Å; A436-A440 PolarHBondContact O-N 3.25Å; K437-A440 PolarHBondContact O-N 3.15Å; K437-A440 VanDerWaalsContact O-N 3.11Å; A440-R442 VanDerWaalsContact C-N 3.32Å; A440-R442 PolarHBondContact O-N 3.15Å; A440-K443 PolarHBondContact O-N 3.27Å; A440-K443 VanDerWaalsContact O-N 3.11Å; A440-S444 PolarHBondContact O-N 2.84Å
441	D	55.8	Low	53.1	Low	105 Å²	105	119.5 Å²	119.5	56%	0.561	65%	0.65	S	S	*	*	H	α-helix	trans	-66.7	-31.9	175.8	-71.8	-27	0	0	0	112.5	K437 S444 A445	K437-D441 PolarHBondContact O-N 3.25Å; D441-S444 WeakPolarHBondContact CA-OG 3.39Å; D441-S444 PolarHBondContact O-OG 3.07Å; D441-A445 PolarHBondContact O-N 3.16Å
442	R	56.2	Low	51.3	Low	207 Å²	207	122.1 Å²	122.1	78%	0.781	67%	0.665	S	S	*	*	H	α-helix	trans	-70.7	-28.7	171.2	-81.8	-178.3	174.4	-174.4	-0.9	113.4	A438 A440	A438-R442 WeakPolarHBondContact O-CG 3.35Å; A438-R442 PolarHBondContact O-N 3.19Å; A440-R442 VanDerWaalsContact C-N 3.32Å; A440-R442 PolarHBondContact O-N 3.15Å
443	K	55.1	Low	49.5	Very low	163 Å²	163	119 Å²	119	71%	0.709	67%	0.669	S	S	*	*	H	α-helix	trans	-81.9	-27	176.5	-79.4	-176.9	176.1	-179	0	113	T439 A440 S446	T439-K443 PolarHBondContact O-N 3.43Å; A440-K443 PolarHBondContact O-N 3.27Å; A440-K443 VanDerWaalsContact O-N 3.11Å; K443-S446 PolarHBondContact O-OG 3.13Å
444	S	50.9	Low	47.7	Very low	90 Å²	90	119.7 Å²	119.7	63%	0.629	68%	0.677	S	S	*	*	H	α-helix	trans	-76.8	-24.2	173.6	62.5	0	0	0	0	112.8	A440 D441 S446	A440-S444 PolarHBondContact O-N 2.84Å; D441-S444 WeakPolarHBondContact CA-OG 3.39Å; D441-S444 PolarHBondContact O-OG 3.07Å; S444-S446 VanDerWaalsContact C-N 3.34Å
445	A	48.3	Very low	46.3	Very low	86 Å²	86	119.6 Å²	119.6	71%	0.711	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-2.6	176.2	0	0	0	0	0	114.9	D441	D441-A445 PolarHBondContact O-N 3.16Å
446	S	46.9	Very low	44.7	Very low	84 Å²	84	128.1 Å²	128.1	59%	0.587	70%	0.703	S	S	*	*			trans	-117.4	75.3	178.9	66	0	0	0	0	112	K443 S444	K443-S446 PolarHBondContact O-OG 3.13Å; S444-S446 VanDerWaalsContact C-N 3.34Å
447	K	37.8	Very low	43	Very low	193 Å²	193	128.5 Å²	128.5	84%	0.839	71%	0.713	S	S	*	*			trans	-119.4	125	153.4	-90.6	-172.9	176.3	-178.9	0	108.6
448	P	39.7	Very low	41.4	Very low	128 Å²	128	130.3 Å²	130.3	83%	0.831	72%	0.723	S	S	*	*			trans	-73.5	137.9	177.6	6	7.2	0	0	0	110.5	G450	P448-G450 PolarHBondContact O-N 3.37Å
449	I	35.3	Very low	39.9	Very low	161 Å²	161	132 Å²	132	83%	0.826	73%	0.732	S	S	*	*			trans	-70.8	111.8	172.5	-65.3	165.6	0	0	0	107.9
450	G	32.4	Very low	38.3	Very low	76 Å²	76	132.5 Å²	132.5	78%	0.784	74%	0.739	S	S	*	*			trans	-98.9	127.5	166.2	0	0	0	0	0	109.7	P448	P448-G450 PolarHBondContact O-N 3.37Å
451	F	31.2	Very low	36.8	Very low	202 Å²	202	137.3 Å²	137.3	89%	0.886	76%	0.757	S	S	*	*			trans	-90.2	127.7	178.5	-123.4	-95.8	0	0	0	109.9
452	E	32	Very low	35.4	Very low	199 Å²	199	140 Å²	140	93%	0.93	77%	0.77	S	S	*	*			trans	174.4	138	154.3	-100.9	176	-174.6	0	0	105.1
453	G	29.1	Very low	34.7	Very low	71 Å²	71	135.1 Å²	135.1	73%	0.732	77%	0.765	S	S	*	*			cis	135.8	75.8	22	0	0	0	0	0	108.8
454	D	27.7	Very low	33.4	Very low	151 Å²	151	135.8 Å²	135.8	81%	0.807	77%	0.771	S	S	*	*			trans	71.2	147	146.2	-125.6	-6.1	0	0	0	123.8
455	L	29.5	Very low	32.3	Very low	129 Å²	129	142.3 Å²	142.3	68%	0.675	78%	0.782	S	S	*	*			trans	89.5	111.9	152.1	-59.7	166.2	0	0	0	124.4
456	R	27.8	Very low	31.2	Very low	240 Å²	240	145.9 Å²	145.9	91%	0.906	79%	0.788	S	S	*	*				74.5	133.8	125.9	-76	-176.6	175.1	-140.1	-0.2	123.9
457	G	28.2	Very low	30.2	Very low	66 Å²	66	150.8 Å²	150.8	68%	0.68	80%	0.801	S	S	*	*			trans	130.1	99.5	146.4	0	0	0	0	0	113.7
458	Q	28.7	Very low	29.7	Very low	194 Å²	194	147.2 Å²	147.2	91%	0.907	80%	0.8	S	S	*	*				51.6	135.4	97.4	-72.5	-175.7	9.6	0	0	113.8
459	S	26.1	Very low	29	Very low	92 Å²	92	149.6 Å²	149.6	64%	0.643	80%	0.801	S	S	*	*			cis	-177.3	153.6	3.6	44.6	0	0	0	0	107.9
460	S	26.1	Very low	28.5	Very low	89 Å²	89	150.2 Å²	150.2	62%	0.622	80%	0.8	S	S	*	*			trans	48.1	122.3	140.3	66.2	0	0	0	0	122
461	D	28.1	Very low	28.2	Very low	158 Å²	158	152.9 Å²	152.9	85%	0.845	80%	0.801	S	S	*	*				174.7	134.9	101.1	-87.5	-28	0	0	0	113.9
462	L	27.2	Very low	27.8	Very low	162 Å²	162	150.9 Å²	150.9	85%	0.848	80%	0.799	S	S	*	*			trans	-101.8	167.8	156.1	-87.6	151.1	0	0	0	106.3
463	P	41.2	Very low	27.6	Very low	104 Å²	104	149.2 Å²	149.2	68%	0.675	80%	0.796	S	S	*	*			cis	-150.7	175.9	31.7	37.6	-13.5	0	0	0	118.4
464	E	26.5	Very low	27.3	Very low	176 Å²	176	149.1 Å²	149.1	82%	0.822	80%	0.795	S	S	*	*			trans	42.7	126.2	143.1	-71.9	180	151.8	0	0	122.8
465	R	28.1	Very low	27.3	Very low	228 Å²	228	147.8 Å²	147.8	86%	0.86	80%	0.797	S	S	*	*				-174.4	133.1	104	-100.3	176.1	-174.7	-173	2.5	115
466	L	26.5	Very low	27.1	Very low	160 Å²	160	147.1 Å²	147.1	84%	0.838	80%	0.803	S	S	*	*			trans	79.5	121	140.4	-68.4	159.9	0	0	0	121.6
467	H	25.7	Very low	27	Very low	188 Å²	188	145.4 Å²	145.4	87%	0.87	81%	0.806	S	S	*	*			trans	-62.1	146	170.2	-88.1	-21.1	0	0	0	115.1
468	S	26.3	Very low	26.9	Very low	117 Å²	117	145.9 Å²	145.9	82%	0.818	81%	0.811	S	S	*	*				-154.6	133.7	124.1	44.7	0	0	0	0	110.5
469	Q	25.8	Very low	26.8	Very low	179 Å²	179	145.2 Å²	145.2	84%	0.836	81%	0.814	S	S	*	*			trans	-45.1	157.8	-178.1	-65.6	156.1	-52	0	0	114.4
470	E	25	Very low	26.7	Very low	174 Å²	174	143.7 Å²	143.7	81%	0.813	81%	0.812	S	S	*	*				-159.3	135.7	51.8	-82.3	-178.5	149.4	0	0	113.7
471	V	25.8	Very low	27.3	Very low	132 Å²	132	147.1 Å²	147.1	80%	0.8	82%	0.823	S	S	*	*				45.3	104.6	129.5	-158.3	0	0	0	0	120.2
472	D	23	Very low	27.3	Very low	160 Å²	160	148.4 Å²	148.4	86%	0.856	83%	0.826	S	S	*	*				-157.7	107.9	112.8	-151.2	5.4	0	0	0	109.7
473	L	26.5	Very low	27.6	Very low	164 Å²	164	146.1 Å²	146.1	86%	0.859	83%	0.831	S	S	*	*			trans	-106.5	109.3	-178.4	-90.6	164.7	0	0	0	109.1
474	G	24.1	Very low	27.4	Very low	69 Å²	69	143.4 Å²	143.4	71%	0.711	82%	0.821	S	S	*	*			trans	-62.5	150.3	148.2	0	0	0	0	0	110.5
475	S	27.1	Very low	27.7	Very low	123 Å²	123	140.7 Å²	140.7	86%	0.86	81%	0.812	S	S	*	*			trans	-122.3	101.1	158.9	52.8	0	0	0	0	109
476	S	25.9	Very low	28.2	Very low	114 Å²	114	136.6 Å²	136.6	80%	0.797	81%	0.808	S	S	*	*			trans	-68.2	133.3	154.7	51.5	0	0	0	0	109.7
477	Q	26	Very low	29	Very low	204 Å²	204	132.8 Å²	132.8	95%	0.953	79%	0.794	S	S	*	*			trans	-150.1	130.3	146.3	-104.8	-173	18.6	0	0	110.1
478	G	25.3	Very low	29.6	Very low	77 Å²	77	130 Å²	130	79%	0.794	78%	0.781	S	S	*	*			trans	105.7	65.1	157.6	0	0	0	0	0	115.3	G480	G478-G480 PolarHBondContact O-N 3.45Å; G478-G480 VanDerWaalsContact O-N 3.17Å
479	D	27.1	Very low	30.2	Very low	180 Å²	180	131.2 Å²	131.2	96%	0.963	77%	0.774	S	S	*	*			trans	-72.2	104.2	168.1	-142.4	-2.7	0	0	0	109
480	G	23.3	Very low	31.1	Very low	60 Å²	60	125.7 Å²	125.7	62%	0.619	76%	0.759	S	S	*	*			trans	-139.7	98.1	177.1	0	0	0	0	0	109.3	G478	G478-G480 PolarHBondContact O-N 3.45Å; G478-G480 VanDerWaalsContact O-N 3.17Å
481	L	39.1	Very low	32	Very low	160 Å²	160	122.1 Å²	122.1	84%	0.838	75%	0.745	S	S	*	*			trans	30	96.8	152.3	-66.2	163.9	0	0	0	116.6
482	M	28.3	Very low	32.9	Very low	186 Å²	186	119.8 Å²	119.8	92%	0.916	73%	0.731	S	S	*	*			trans	-158.3	75.1	145.2	-78.4	-47.9	154.6	0	0	110.7	G484	M482-G484 PolarHBondContact O-N 3.32Å
483	A	33.8	Very low	34.3	Very low	114 Å²	114	115 Å²	115	94%	0.942	71%	0.714	S	S	*	*			trans	-84	99.6	157.7	0	0	0	0	0	107.5
484	G	35.3	Very low	35.7	Very low	46 Å²	46	112.7 Å²	112.7	47%	0.474	70%	0.702	S	S	.	*			trans	-169.5	-34	-179.9	0	0	0	0	0	117.7	M482	M482-G484 PolarHBondContact O-N 3.32Å
485	N	34.4	Very low	36.9	Very low	120 Å²	120	115 Å²	115	64%	0.642	70%	0.695	S	S	*	*	H	α-helix	trans	-93.6	-23	-161.9	-91.5	14.2	0	0	0	117.8	S487 E488 E489	N485-S487 VanDerWaalsContact C-N 3.27Å; N485-S487 PolarHBondContact O-N 3.11Å; N485-E488 PolarHBondContact O-N 2.9Å; N485-E489 PolarHBondContact O-N 2.93Å
486	D	38.8	Very low	38.3	Very low	142 Å²	142	112.5 Å²	112.5	76%	0.759	68%	0.678	S	S	*	*	H	α-helix	trans	-69.8	-24	-173.9	-73.3	-19.7	0	0	0	113.7	A490	D486-A490 PolarHBondContact O-N 2.8Å
487	S	42.5	Very low	39.9	Very low	79 Å²	79	115.6 Å²	115.6	55%	0.552	67%	0.672	S	S	*	*	H	α-helix	trans	-80.6	-33.2	178.7	75.6	0	0	0	0	113.1	N485 L491	N485-S487 VanDerWaalsContact C-N 3.27Å; N485-S487 PolarHBondContact O-N 3.11Å; S487-L491 WeakPolarHBondContact O-CB 3.24Å; S487-L491 WeakPolarHBondContact O-CD1 3.48Å; S487-L491 PolarHBondContact O-N 3.43Å; S487-L491 VanDerWaalsContact O-N 3.09Å
488	E	37.5	Very low	41.5	Very low	129 Å²	129	113.5 Å²	113.5	60%	0.603	66%	0.66	S	S	*	*	H	α-helix	trans	-75.1	-38.1	178.4	-89.5	-170.5	149.1	0	0	112	N485 L491 T492	N485-E488 PolarHBondContact O-N 2.9Å; E488-L491 PolarHBondContact O-N 2.96Å; E488-T492 WeakPolarHBondContact O-CB 3.39Å; E488-T492 PolarHBondContact O-N 3.25Å; E488-T492 PolarHBondContact O-OG1 3.26Å
489	E	39.3	Very low	43.3	Very low	144 Å²	144	114.1 Å²	114.1	67%	0.673	65%	0.649	S	S	*	*	H	α-helix	trans	-65.8	-41.5	175.5	-102	-175.3	164.6	0	0	112	N485 T492 A493	N485-E489 PolarHBondContact O-N 2.93Å; E489-T492 PolarHBondContact O-N 2.9Å; E489-A493 VanDerWaalsContact O-CB 3.29Å; E489-A493 WeakPolarHBondContact O-CB 3.36Å; E489-A493 PolarHBondContact O-N 3.05Å
490	A	44.7	Very low	45.2	Very low	63 Å²	63	108.4 Å²	108.4	52%	0.521	63%	0.627	S	S	.	*	H	α-helix	trans	-65.8	-41.3	175.6	0	0	0	0	0	112.3	D486 L494	D486-A490 PolarHBondContact O-N 2.8Å; A490-L494 VanDerWaalsContact O-CB 3.26Å; A490-L494 WeakPolarHBondContact O-CB 3.18Å; A490-L494 PolarHBondContact O-N 2.97Å
491	L	43.4	Very low	47.5	Very low	98 Å²	98	109.2 Å²	109.2	51%	0.513	62%	0.616	S	S	.	*	H	α-helix	trans	-64.3	-42.3	173.3	-107.6	98.6	0	0	0	111.7	S487 E488 L494 M495	S487-L491 WeakPolarHBondContact O-CB 3.24Å; S487-L491 WeakPolarHBondContact O-CD1 3.48Å; S487-L491 PolarHBondContact O-N 3.43Å; S487-L491 VanDerWaalsContact O-N 3.09Å; E488-L491 PolarHBondContact O-N 2.96Å; L491-L494 PolarHBondContact O-N 3.41Å; L491-M495 HydrophobicContact CD2-CE 4.22Å; L491-M495 WeakPolarHBondContact O-CB 3.39Å; L491-M495 VanDerWaalsContact O-CG 3.28Å; L491-M495 WeakPolarHBondContact O-CG 3.49Å; L491-M495 PolarHBondContact O-N 2.8Å
492	T	45.8	Very low	48.9	Very low	83 Å²	83	105.2 Å²	105.2	51%	0.509	60%	0.601	S	S	.	*	H	α-helix	trans	-68	-40.3	-179.1	-58.9	0	0	0	0	111.5	E488 E489 M495 S496	E488-T492 WeakPolarHBondContact O-CB 3.39Å; E488-T492 PolarHBondContact O-N 3.25Å; E488-T492 PolarHBondContact O-OG1 3.26Å; E489-T492 PolarHBondContact O-N 2.9Å; T492-M495 PolarHBondContact O-N 3.19Å; T492-S496 VanDerWaalsContact O-CB 3.31Å; T492-S496 WeakPolarHBondContact O-CB 3.5Å; T492-S496 PolarHBondContact O-N 3.49Å; T492-S496 PolarHBondContact O-OG 2.83Å
493	A	51.5	Low	51.2	Low	59 Å²	59	103 Å²	103	49%	0.488	59%	0.592	S	S	.	*	H	α-helix	trans	-65.6	-39.5	173.1	0	0	0	0	0	112	E489 S496 R497	E489-A493 VanDerWaalsContact O-CB 3.29Å; E489-A493 WeakPolarHBondContact O-CB 3.36Å; E489-A493 PolarHBondContact O-N 3.05Å; A493-S496 PolarHBondContact O-N 3.39Å; A493-R497 VanDerWaalsContact O-CB 3.29Å; A493-R497 WeakPolarHBondContact O-CB 3.28Å; A493-R497 PolarHBondContact O-N 3.23Å
494	L	56.4	Low	53.5	Low	116 Å²	116	100.3 Å²	100.3	61%	0.607	56%	0.559	S	S	*	*	H	α-helix	trans	-66.8	-43.1	175.5	-170.9	73.9	0	0	0	111.7	A490 L491 R497 K498	A490-L494 VanDerWaalsContact O-CB 3.26Å; A490-L494 WeakPolarHBondContact O-CB 3.18Å; A490-L494 PolarHBondContact O-N 2.97Å; L491-L494 PolarHBondContact O-N 3.41Å; L494-R497 PolarHBondContact O-N 3.49Å; L494-K498 VanDerWaalsContact O-CB 3.28Å; L494-K498 WeakPolarHBondContact O-CB 3.23Å; L494-K498 PolarHBondContact O-N 3.12Å
495	M	49.1	Very low	55.8	Low	117 Å²	117	100 Å²	100	58%	0.576	55%	0.546	S	S	*	.	H	α-helix	trans	-64.2	-41.7	175.3	-76.1	-173.7	174.4	0	0	111.6	L491 T492 K498 T499	L491-M495 HydrophobicContact CD2-CE 4.22Å; L491-M495 WeakPolarHBondContact O-CB 3.39Å; L491-M495 VanDerWaalsContact O-CG 3.28Å; L491-M495 WeakPolarHBondContact O-CG 3.49Å; L491-M495 PolarHBondContact O-N 2.8Å; T492-M495 PolarHBondContact O-N 3.19Å; M495-K498 PolarHBondContact O-N 2.9Å; M495-T499 WeakPolarHBondContact O-CB 3.49Å; M495-T499 PolarHBondContact O-N 3.41Å; M495-T499 PolarHBondContact O-OG1 2.89Å
496	S	55.8	Low	58	Low	72 Å²	72	96.4 Å²	96.4	50%	0.503	54%	0.537	S	S	.	.	H	α-helix	trans	-63.8	-43.6	175.1	-63.3	0	0	0	0	111.6	T492 A493 T499 A500	T492-S496 VanDerWaalsContact O-CB 3.31Å; T492-S496 WeakPolarHBondContact O-CB 3.5Å; T492-S496 PolarHBondContact O-N 3.49Å; T492-S496 PolarHBondContact O-OG 2.83Å; A493-S496 PolarHBondContact O-N 3.39Å; S496-T499 PolarHBondContact O-N 3.15Å; S496-A500 WeakPolarHBondContact O-CB 3.17Å; S496-A500 PolarHBondContact O-N 2.95Å
497	R	60.4	Low	60.4	Low	178 Å²	178	97.2 Å²	97.2	67%	0.672	53%	0.534	S	S	*	.	H	α-helix	trans	-65.3	-41.6	176	-167.3	-179.5	-72	-178.6	-2	111.9	A493 L494 T499 A500 I501	A493-R497 VanDerWaalsContact O-CB 3.29Å; A493-R497 WeakPolarHBondContact O-CB 3.28Å; A493-R497 PolarHBondContact O-N 3.23Å; L494-R497 PolarHBondContact O-N 3.49Å; R497-T499 VanDerWaalsContact C-N 3.35Å; R497-A500 PolarHBondContact O-N 3.11Å; R497-I501 HydrophobicContact CG-CD1 4.18Å; R497-I501 VanDerWaalsContact O-CG1 3.27Å; R497-I501 WeakPolarHBondContact O-CG1 3.45Å; R497-I501 PolarHBondContact O-N 3.33Å
498	K	60.4	Low	62.8	Low	160 Å²	160	94.6 Å²	94.6	70%	0.696	52%	0.517	S	S	*	.	H	α-helix	trans	-64.4	-39.1	176.3	-169.1	175	-178.1	179.6	0	111.8	L494 M495 S502	L494-K498 VanDerWaalsContact O-CB 3.28Å; L494-K498 WeakPolarHBondContact O-CB 3.23Å; L494-K498 PolarHBondContact O-N 3.12Å; M495-K498 PolarHBondContact O-N 2.9Å; K498-S502 WeakPolarHBondContact O-CB 3.29Å; K498-S502 PolarHBondContact O-N 3.19Å
499	T	62.5	Low	65.7	Low	91 Å²	91	89.9 Å²	89.9	56%	0.558	50%	0.495	S	S	*	.	H	α-helix	trans	-66.8	-44.1	175.5	-54.6	0	0	0	0	111.2	M495 S496 R497 S502 L503	M495-T499 WeakPolarHBondContact O-CB 3.49Å; M495-T499 PolarHBondContact O-N 3.41Å; M495-T499 PolarHBondContact O-OG1 2.89Å; S496-T499 PolarHBondContact O-N 3.15Å; R497-T499 VanDerWaalsContact C-N 3.35Å; T499-S502 PolarHBondContact O-N 2.98Å; T499-L503 WeakPolarHBondContact O-CB 3.3Å; T499-L503 PolarHBondContact O-N 2.92Å
500	A	66.4	Low	68.5	Low	60 Å²	60	83.1 Å²	83.1	50%	0.496	46%	0.464	S	S	.	.	H	α-helix	trans	-62.6	-42.5	176.5	0	0	0	0	0	112.7	S496 R497 L503 F504	S496-A500 WeakPolarHBondContact O-CB 3.17Å; S496-A500 PolarHBondContact O-N 2.95Å; R497-A500 PolarHBondContact O-N 3.11Å; A500-L503 PolarHBondContact O-N 3.2Å; A500-F504 PolarHBondContact O-N 3.46Å
501	I	71.1	Confident	71	Confident	76 Å²	76	80.1 Å²	80.1	39%	0.39	44%	0.439	S	S	.	.	H	α-helix	trans	-62.5	-47.7	174.2	-68.4	165.5	0	0	0	110.1	R497 L503 F504 E505	R497-I501 HydrophobicContact CG-CD1 4.18Å; R497-I501 VanDerWaalsContact O-CG1 3.27Å; R497-I501 WeakPolarHBondContact O-CG1 3.45Å; R497-I501 PolarHBondContact O-N 3.33Å; I501-L503 VanDerWaalsContact C-N 3.25Å; I501-L503 PolarHBondContact O-N 3.3Å; I501-F504 WeakPolarHBondContact O-CB 3.36Å; I501-F504 PolarHBondContact O-N 3.06Å; I501-F504 VanDerWaalsContact O-N 3.1Å; I501-E505 HydrophobicContact CG2-CG 4.13Å; I501-E505 VanDerWaalsContact O-CG 3.28Å; I501-E505 WeakPolarHBondContact O-CG 3.47Å; I501-E505 PolarHBondContact O-N 3.22Å
502	S	69.1	Low	73.7	Confident	76 Å²	76	75.4 Å²	75.4	53%	0.531	42%	0.415	S	S	.	.	H	α-helix	trans	-59.8	-36.2	178.2	-171	0	0	0	0	112.5	K498 T499 E505 G506	K498-S502 WeakPolarHBondContact O-CB 3.29Å; K498-S502 PolarHBondContact O-N 3.19Å; T499-S502 PolarHBondContact O-N 2.98Å; S502-E505 PolarHBondContact O-N 2.96Å; S502-G506 PolarHBondContact O-N 3.39Å; S502-G506 VanDerWaalsContact O-N 3.07Å
503	L	77.1	Confident	76.2	Confident	139 Å²	139	76.1 Å²	76.1	73%	0.728	41%	0.411	S	S	*	.	H	α-helix	trans	-68.5	-39.4	176.6	-147.3	79.5	0	0	0	111.7	T499 A500 I501 K507	T499-L503 WeakPolarHBondContact O-CB 3.3Å; T499-L503 PolarHBondContact O-N 2.92Å; A500-L503 PolarHBondContact O-N 3.2Å; I501-L503 VanDerWaalsContact C-N 3.25Å; I501-L503 PolarHBondContact O-N 3.3Å; L503-K507 PolarHBondContact O-N 3.04Å
504	F	81.9	Confident	78.4	Confident	58 Å²	58	73.3 Å²	73.3	25%	0.254	39%	0.388	S	S	.	.	H	α-helix	trans	-65.3	-42.6	174.2	-177.4	-98.5	0	0	0	111.9	L305 T406 L408 A500 I501 G506 K507 L509 H517	L305-F504 HydrophobicContact CD2-CE1 4.15Å; L305-F504 HydrophobicContact CD2-CZ 4.3Å; T406-F504 HydrophobicContact CG2-CD1 4.16Å; T406-F504 HydrophobicContact CG2-CE1 3.57Å; T406-F504 HydrophobicContact CG2-CZ 4.24Å; L408-F504 HydrophobicContact CD1-CD1 4.04Å; L408-F504 HydrophobicContact CD1-CE1 3.93Å; L408-F504 HydrophobicContact CD2-CE1 4.21Å; L408-F504 HydrophobicContact CG-CE1 4.12Å; A500-F504 PolarHBondContact O-N 3.46Å; I501-F504 WeakPolarHBondContact O-CB 3.36Å; I501-F504 PolarHBondContact O-N 3.06Å; I501-F504 VanDerWaalsContact O-N 3.1Å; F504-G506 PolarHBondContact O-N 2.92Å; F504-K507 PolarHBondContact O-N 3.38Å; F504-L509 HydrophobicContact CE2-CD2 4.35Å; F504-L509 HydrophobicContact CZ-CD2 3.95Å; F504-H517 AromaticContact CZ-NE2 3.97Å
505	E	83.8	Confident	80.4	Confident	40 Å²	40	67.8 Å²	67.8	19%	0.187	36%	0.359	C	S	.	.	H	α-helix	trans	-66.3	-34.7	179.2	-70.4	-173.3	157.8	0	0	112.9	K404 M405 T406 I501 S502 K507	K404-E505 VanDerWaalsContact CE-CD 3.48Å; K404-E505 WeakPolarHBondContact CE-OE2 3.49Å; K404-E505 HydrophobicContact CG-CB 4.31Å; K404-E505 IonicContact NZ-OE1 3.02Å; K404-E505 PolarHBondContact NZ-OE1 2.82Å; K404-E505 IonicContact NZ-OE2 3.36Å; K404-E505 PolarHBondContact NZ-OE2 2.82Å; M405-E505 PolarHBondContact N-O 2.96Å; T406-E505 PolarHBondContact N-O 2.95Å; T406-E505 WeakPolarHBondContact O-CA 3.24Å; T406-E505 WeakPolarHBondContact O-CB 3.49Å; T406-E505 WeakPolarHBondContact O-CG 3.44Å; I501-E505 HydrophobicContact CG2-CG 4.13Å; I501-E505 VanDerWaalsContact O-CG 3.28Å; I501-E505 WeakPolarHBondContact O-CG 3.47Å; I501-E505 PolarHBondContact O-N 3.22Å; S502-E505 PolarHBondContact O-N 2.96Å; E505-K507 VanDerWaalsContact C-N 3.35Å
506	G	80.7	Confident	82.7	Confident	44 Å²	44	63.4 Å²	63.4	45%	0.454	34%	0.338	S	S	.	.	H	α-helix	trans	-74.4	-20.5	178.2	0	0	0	0	0	114.5	S502 F504	S502-G506 PolarHBondContact O-N 3.39Å; S502-G506 VanDerWaalsContact O-N 3.07Å; F504-G506 PolarHBondContact O-N 2.92Å
507	K	89.1	Confident	84.7	Confident	160 Å²	160	63.1 Å²	63.1	70%	0.696	33%	0.328	S	S	*	.	S	Bend	trans	-96	126.5	179.8	-172.6	172.3	-177.4	173	0	110.7	T406 L503 F504 E505 L509	T406-K507 PolarHBondContact OG1-O 2.8Å; L503-K507 PolarHBondContact O-N 3.04Å; F504-K507 PolarHBondContact O-N 3.38Å; E505-K507 VanDerWaalsContact C-N 3.35Å; K507-L509 PolarHBondContact O-N 3.29Å
508	A	93.3	Very high	86.5	Confident	24 Å²	24	54.7 Å²	54.7	20%	0.198	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-67.6	118.5	172.7	0	0	0	0	0	110.7	P395 M405	P395-A508 HydrophobicContact CB-CB 3.67Å; P395-A508 HydrophobicContact CG-CB 3.52Å; P395-A508 WeakPolarHBondContact CG-O 3.34Å; M405-A508 HydrophobicContact CB-CB 3.85Å; M405-A508 HydrophobicContact CG-CB 3.88Å; M405-A508 HydrophobicContact SD-CB 4.04Å
509	L	97.1	Very high	88.3	Confident	29 Å²	29	47 Å²	47	15%	0.152	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-86.7	131.3	176.5	-170.9	62.8	0	0	0	109.6	L307 Y309 F504 K507 K513 A514	L307-L509 HydrophobicContact CD2-CB 4.27Å; Y309-L509 WeakPolarHBondContact CE1-O 3.42Å; Y309-L509 PolarHBondContact OH-O 3.21Å; F504-L509 HydrophobicContact CE2-CD2 4.35Å; F504-L509 HydrophobicContact CZ-CD2 3.95Å; K507-L509 PolarHBondContact O-N 3.29Å; L509-K513 HydrophobicContact CD1-CB 3.71Å; L509-K513 HydrophobicContact CD1-CD 4.19Å; L509-K513 HydrophobicContact CG-CB 4.07Å; L509-A514 HydrophobicContact CD2-CB 3.85Å; L509-A514 HydrophobicContact CG-CB 4.21Å
510	G	98.3	Very high	90	Very high	2 Å²	2	46.9 Å²	46.9	2%	0.021	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-69.5	151.4	177.1	0	0	0	0	0	112.5	D512 K513 A514	G510-D512 PolarHBondContact O-N 3.18Å; G510-K513 WeakPolarHBondContact O-CB 3.33Å; G510-K513 PolarHBondContact O-N 3.04Å; G510-K513 VanDerWaalsContact O-N 3.08Å; G510-A514 PolarHBondContact O-N 3.08Å
511	L	98.8	Very high	91.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-55.2	-47.7	-170.1	-177	57	0	0	0	113.8	V282 V284 T289 V291 Y309 L392 F393 K513 A514 I515 L542	V282-L511 HydrophobicContact CG1-CD1 3.7Å; V284-L511 HydrophobicContact CG2-CD2 4.27Å; T289-L511 HydrophobicContact CG2-CD1 3.65Å; V291-L511 HydrophobicContact CG2-CD1 4.47Å; Y309-L511 PolarHBondContact OH-N 3.3Å; L392-L511 WeakPolarHBondContact O-CB 3.29Å; L392-L511 PolarHBondContact O-N 3.32Å; F393-L511 HydrophobicContact CD1-CB 4.25Å; F393-L511 HydrophobicContact CE1-CB 4.28Å; F393-L511 HydrophobicContact CE1-CD2 4.44Å; F393-L511 HydrophobicContact CZ-CD2 4.41Å; L511-K513 PolarHBondContact O-N 3.03Å; L511-A514 WeakPolarHBondContact O-CB 3.39Å; L511-A514 PolarHBondContact O-N 3.35Å; L511-I515 HydrophobicContact CD1-CD1 4.43Å; L511-I515 HydrophobicContact CG-CD1 4.23Å; L511-I515 WeakPolarHBondContact O-CG1 3.48Å; L511-I515 PolarHBondContact O-N 3.34Å; L511-L542 HydrophobicContact CD2-CD1 4.27Å; L511-L542 HydrophobicContact CD2-CD2 4.08Å
512	D	98.4	Very high	92.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-39.7	179.3	58.2	-4.2	0	0	0	112.3	F393 G510 A514 I515 L516 L551 R554 I555 K558	F393-D512 HydrophobicContact CD1-CB 3.94Å; F393-D512 HydrophobicContact CE1-CB 4.24Å; G510-D512 PolarHBondContact O-N 3.18Å; D512-A514 VanDerWaalsContact C-N 3.34Å; D512-I515 PolarHBondContact O-N 3.06Å; D512-L516 VanDerWaalsContact O-CG 3.29Å; D512-L516 WeakPolarHBondContact O-CG 3.41Å; D512-L516 PolarHBondContact O-N 3.48Å; D512-L551 HydrophobicContact CB-CD1 4.49Å; D512-R554 HydrophobicContact CB-CB 4.42Å; D512-R554 IonicContact OD2-CZ 3.97Å; D512-R554 VanDerWaalsContact OD2-CZ 3.23Å; D512-R554 IonicContact OD2-NE 2.78Å; D512-R554 PolarHBondContact OD2-NE 3.21Å; D512-R554 IonicContact OD2-NH2 3.11Å; D512-R554 PolarHBondContact OD2-NH2 2.92Å; D512-I555 HydrophobicContact CB-CD1 4.1Å; D512-K558 VanDerWaalsContact CG-NZ 3.33Å; D512-K558 IonicContact OD1-NZ 3.58Å; D512-K558 PolarHBondContact OD1-NZ 2.94Å; D512-K558 VanDerWaalsContact OD2-CD 3.31Å; D512-K558 WeakPolarHBondContact OD2-CD 3.5Å; D512-K558 VanDerWaalsContact OD2-CE 3.27Å; D512-K558 WeakPolarHBondContact OD2-CE 3.42Å; D512-K558 IonicContact OD2-NZ 2.6Å; D512-K558 PolarHBondContact OD2-NZ 3.02Å
513	K	98.2	Very high	93.6	Very high	98 Å²	98	44.9 Å²	44.9	43%	0.426	25%	0.248	S	C	.	.	H	α-helix	trans	-65.4	-37.6	174.6	-64	172	-177.5	162.9	0	111.9	L509 G510 L511 L516 H517	L509-K513 HydrophobicContact CD1-CB 3.71Å; L509-K513 HydrophobicContact CD1-CD 4.19Å; L509-K513 HydrophobicContact CG-CB 4.07Å; G510-K513 WeakPolarHBondContact O-CB 3.33Å; G510-K513 PolarHBondContact O-N 3.04Å; G510-K513 VanDerWaalsContact O-N 3.08Å; L511-K513 PolarHBondContact O-N 3.03Å; K513-L516 PolarHBondContact O-N 2.72Å; K513-H517 VanDerWaalsContact O-CB 3.28Å; K513-H517 WeakPolarHBondContact O-CB 3.35Å; K513-H517 PolarHBondContact O-N 2.89Å
514	A	98.5	Very high	94.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-41.5	176.3	0	0	0	0	0	111.7	V291 L305 L307 L509 G510 L511 D512 H517 S518	V291-A514 HydrophobicContact CG2-CB 4.24Å; L305-A514 HydrophobicContact CD1-CB 4.32Å; L305-A514 VanDerWaalsContact CD1-O 3.32Å; L305-A514 WeakPolarHBondContact CD1-O 3.49Å; L307-A514 HydrophobicContact CD1-CB 3.75Å; L307-A514 HydrophobicContact CD2-CB 4.22Å; L307-A514 HydrophobicContact CG-CB 4.47Å; L509-A514 HydrophobicContact CD2-CB 3.85Å; L509-A514 HydrophobicContact CG-CB 4.21Å; G510-A514 PolarHBondContact O-N 3.08Å; L511-A514 WeakPolarHBondContact O-CB 3.39Å; L511-A514 PolarHBondContact O-N 3.35Å; D512-A514 VanDerWaalsContact C-N 3.34Å; A514-H517 PolarHBondContact O-N 3.28Å; A514-S518 WeakPolarHBondContact O-CB 3.36Å; A514-S518 PolarHBondContact O-N 2.85Å
515	I	98.8	Very high	95.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-51.3	173.9	-66.7	163.4	0	0	0	110.8	V282 V291 L511 D512 H517 S518 I519 I535 L551 I555	V282-I515 HydrophobicContact CG1-CD1 4.41Å; V282-I515 HydrophobicContact CG2-CD1 3.74Å; V282-I515 HydrophobicContact CG2-CG1 3.64Å; V291-I515 HydrophobicContact CG1-CG1 4.21Å; L511-I515 HydrophobicContact CD1-CD1 4.43Å; L511-I515 HydrophobicContact CG-CD1 4.23Å; L511-I515 WeakPolarHBondContact O-CG1 3.48Å; L511-I515 PolarHBondContact O-N 3.34Å; D512-I515 PolarHBondContact O-N 3.06Å; I515-H517 VanDerWaalsContact C-N 3.32Å; I515-H517 PolarHBondContact O-N 3.42Å; I515-S518 WeakPolarHBondContact O-CB 3.34Å; I515-S518 PolarHBondContact O-N 2.87Å; I515-I519 HydrophobicContact CG2-CD1 3.94Å; I515-I519 WeakPolarHBondContact O-CG1 3.16Å; I515-I519 PolarHBondContact O-N 2.88Å; I515-I535 HydrophobicContact CG2-CD1 4.04Å; I515-I535 HydrophobicContact CG2-CG2 4.49Å; I515-L551 HydrophobicContact CD1-CD1 3.9Å; I515-L551 HydrophobicContact CD1-CD2 4.08Å; I515-I555 HydrophobicContact CB-CD1 4.07Å; I515-I555 HydrophobicContact CD1-CD1 4.24Å; I515-I555 HydrophobicContact CG2-CD1 3.86Å
516	L	98.3	Very high	95.7	Very high	25 Å²	25	45 Å²	45	13%	0.131	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-43.4	179.1	-64.3	175.5	0	0	0	111.8	D512 K513 I519 D520 Y532 I555 K558 M559	D512-L516 VanDerWaalsContact O-CG 3.29Å; D512-L516 WeakPolarHBondContact O-CG 3.41Å; D512-L516 PolarHBondContact O-N 3.48Å; K513-L516 PolarHBondContact O-N 2.72Å; L516-I519 PolarHBondContact O-N 3.4Å; L516-D520 WeakPolarHBondContact O-CB 3.2Å; L516-D520 PolarHBondContact O-N 2.98Å; L516-Y532 HydrophobicContact CD2-CE1 3.67Å; L516-I555 HydrophobicContact CD2-CD1 4.33Å; L516-I555 HydrophobicContact CD2-CG2 4.33Å; L516-I555 HydrophobicContact CG-CD1 4.44Å; L516-K558 HydrophobicContact CD1-CB 3.54Å; L516-M559 HydrophobicContact CD2-CB 3.96Å
517	H	97.5	Very high	96.5	Very high	66 Å²	66	43.4 Å²	43.4	31%	0.306	24%	0.238	S	C	.	.	H	α-helix	trans	-63.6	-45.9	177.4	-178.6	-70.5	0	0	0	111.9	L305 F504 K513 A514 I515 I519 D520 C521	L305-H517 HydrophobicContact CD1-CB 4.28Å; F504-H517 AromaticContact CZ-NE2 3.97Å; K513-H517 VanDerWaalsContact O-CB 3.28Å; K513-H517 WeakPolarHBondContact O-CB 3.35Å; K513-H517 PolarHBondContact O-N 2.89Å; A514-H517 PolarHBondContact O-N 3.28Å; I515-H517 VanDerWaalsContact C-N 3.32Å; I515-H517 PolarHBondContact O-N 3.42Å; H517-I519 VanDerWaalsContact C-N 3.33Å; H517-I519 PolarHBondContact O-N 3.49Å; H517-D520 PolarHBondContact O-N 2.78Å; H517-C521 PolarHBondContact CE1-SG 2.81Å; H517-C521 PolarHBondContact O-N 3.05Å; H517-C521 VanDerWaalsContact O-N 3.12Å; H517-C521 PolarHBondContact O-SG 2.82Å
518	S	98.3	Very high	96.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-54.8	-49.9	175.9	174.5	0	0	0	0	111.3	C293 T303 A514 I515 D520 C521	C293-S518 PolarHBondContact SG-OG 3.47Å; T303-S518 WeakPolarHBondContact CB-O 3.46Å; T303-S518 WeakPolarHBondContact CG2-O 3.14Å; T303-S518 WeakPolarHBondContact O-CB 3.48Å; T303-S518 PolarHBondContact O-OG 2.96Å; A514-S518 WeakPolarHBondContact O-CB 3.36Å; A514-S518 PolarHBondContact O-N 2.85Å; I515-S518 WeakPolarHBondContact O-CB 3.34Å; I515-S518 PolarHBondContact O-N 2.87Å; S518-D520 PolarHBondContact O-N 2.74Å; S518-C521 PolarHBondContact O-N 3.44Å
519	I	98.4	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-41.8	-179.2	-63.5	174.4	0	0	0	110.6	C280 I515 L516 H517 C521 C522 K528 M531 Y532	C280-I519 HydrophobicContact CB-CD1 4.17Å; C280-I519 HydrophobicContact CB-CG1 4.22Å; I515-I519 HydrophobicContact CG2-CD1 3.94Å; I515-I519 WeakPolarHBondContact O-CG1 3.16Å; I515-I519 PolarHBondContact O-N 2.88Å; L516-I519 PolarHBondContact O-N 3.4Å; H517-I519 VanDerWaalsContact C-N 3.33Å; H517-I519 PolarHBondContact O-N 3.49Å; I519-C521 PolarHBondContact O-N 3.27Å; I519-C522 VanDerWaalsContact O-CB 3.26Å; I519-C522 WeakPolarHBondContact O-CB 3.49Å; I519-C522 PolarHBondContact O-N 3.32Å; I519-C522 PolarHBondContact O-SG 3.31Å; I519-K528 HydrophobicContact CG2-CB 4.24Å; I519-K528 HydrophobicContact CG2-CG 4.33Å; I519-M531 HydrophobicContact CB-CB 4.42Å; I519-M531 HydrophobicContact CD1-CB 4.09Å; I519-M531 HydrophobicContact CG1-CB 3.82Å; I519-M531 HydrophobicContact CG2-CB 3.9Å; I519-Y532 HydrophobicContact CB-CE1 4.31Å; I519-Y532 HydrophobicContact CB-CE2 4.42Å; I519-Y532 HydrophobicContact CD1-CD1 3.72Å; I519-Y532 HydrophobicContact CD1-CE1 3.87Å; I519-Y532 HydrophobicContact CD1-CG 4.25Å; I519-Y532 HydrophobicContact CG2-CD1 4.25Å; I519-Y532 HydrophobicContact CG2-CD2 3.68Å; I519-Y532 HydrophobicContact CG2-CE1 4.02Å; I519-Y532 HydrophobicContact CG2-CE2 3.41Å; I519-Y532 VanDerWaalsContact CG2-CE2 3.41Å; I519-Y532 HydrophobicContact CG2-CG 4.07Å
520	D	97.3	Very high	97	Very high	88 Å²	88	41 Å²	41	47%	0.471	22%	0.222	S	C	.	.	H	α-helix	trans	-65	-25.4	-179.8	-166.4	45.9	0	0	0	113.6	L516 H517 S518 C522 K528	L516-D520 WeakPolarHBondContact O-CB 3.2Å; L516-D520 PolarHBondContact O-N 2.98Å; H517-D520 PolarHBondContact O-N 2.78Å; S518-D520 PolarHBondContact O-N 2.74Å; D520-C522 PolarHBondContact O-N 3.37Å; D520-K528 WeakPolarHBondContact O-CE 3.48Å; D520-K528 PolarHBondContact O-NZ 3.36Å; D520-K528 IonicContact OD1-NZ 2.76Å; D520-K528 PolarHBondContact OD1-NZ 3.09Å
521	C	96.5	Very high	97	Very high	43 Å²	43	41 Å²	41	29%	0.291	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-0	172.9	-64.6	0	0	0	0	114.7	N302 T303 H517 S518 I519	N302-C521 HydrophobicContact CB-CB 4.49Å; N302-C521 WeakPolarHBondContact O-CB 3.3Å; T303-C521 HydrophobicContact CG2-CB 4.26Å; H517-C521 PolarHBondContact CE1-SG 2.81Å; H517-C521 PolarHBondContact O-N 3.05Å; H517-C521 VanDerWaalsContact O-N 3.12Å; H517-C521 PolarHBondContact O-SG 2.82Å; S518-C521 PolarHBondContact O-N 3.44Å; I519-C521 PolarHBondContact O-N 3.27Å
522	C	96	Very high	96.9	Very high	8 Å²	8	41 Å²	41	5%	0.054	22%	0.221	C	C	.	.			trans	-67.2	142.4	169.3	-61.5	0	0	0	0	110.4	I519 D520 T527 K528	I519-C522 VanDerWaalsContact O-CB 3.26Å; I519-C522 WeakPolarHBondContact O-CB 3.49Å; I519-C522 PolarHBondContact O-N 3.32Å; I519-C522 PolarHBondContact O-SG 3.31Å; D520-C522 PolarHBondContact O-N 3.37Å; C522-T527 HydrophobicContact CB-CG2 3.92Å; C522-K528 HydrophobicContact CB-CG 3.81Å; C522-K528 WeakPolarHBondContact O-CE 3.29Å
523	S	90.6	Very high	96.8	Very high	119 Å²	119	43 Å²	43	83%	0.832	24%	0.235	S	C	*	.	S	Bend	trans	-73.1	-33.8	-176.8	49	0	0	0	0	113.9
524	S	95.1	Very high	96.8	Very high	44 Å²	44	39.1 Å²	39.1	31%	0.308	22%	0.22	S	C	.	.			trans	-112.2	140	-177.4	175.3	0	0	0	0	111.9	D526 T527 K528	S524-D526 PolarHBondContact O-N 3.36Å; S524-D526 PolarHBondContact OG-N 3.29Å; S524-D526 VanDerWaalsContact OG-N 3.15Å; S524-T527 WeakPolarHBondContact O-CB 3.2Å; S524-T527 PolarHBondContact O-N 3.2Å; S524-T527 VanDerWaalsContact O-N 3.16Å; S524-K528 WeakPolarHBondContact O-CG 3.5Å; S524-K528 PolarHBondContact O-N 3.01Å
525	D	95.6	Very high	96.9	Very high	97 Å²	97	39.1 Å²	39.1	52%	0.519	22%	0.22	S	C	.	.	H	α-helix	trans	-63.3	-27.7	172.2	-79.2	1.2	0	0	0	112.3	K528 K529 F563	D525-K528 PolarHBondContact O-N 3.34Å; D525-K529 WeakPolarHBondContact O-CG 3.36Å; D525-K529 PolarHBondContact O-N 3.06Å; D525-F563 HydrophobicContact CB-CE1 4.23Å; D525-F563 HydrophobicContact CB-CZ 4.17Å
526	D	95.6	Very high	96.9	Very high	97 Å²	97	39.1 Å²	39.1	52%	0.519	22%	0.22	S	C	.	.	H	α-helix	trans	-65.5	-43.9	171.8	-72.9	-62.9	0	0	0	111.7	S524 K529 K530	S524-D526 PolarHBondContact O-N 3.36Å; S524-D526 PolarHBondContact OG-N 3.29Å; S524-D526 VanDerWaalsContact OG-N 3.15Å; D526-K529 PolarHBondContact O-N 3.34Å; D526-K529 WeakPolarHBondContact OD1-CE 3.23Å; D526-K529 IonicContact OD1-NZ 3.72Å; D526-K529 PolarHBondContact OD1-NZ 2.92Å; D526-K530 PolarHBondContact O-N 3.19Å; D526-K530 VanDerWaalsContact O-N 3.11Å
527	T	96.3	Very high	96.9	Very high	11 Å²	11	38.1 Å²	38.1	7%	0.067	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-46.4	172.3	-55.9	0	0	0	0	109.9	E295 C522 S524 K529 K530 M531	E295-T527 WeakPolarHBondContact OE2-CG2 3.37Å; E295-T527 PolarHBondContact OE2-OG1 3.16Å; C522-T527 HydrophobicContact CB-CG2 3.92Å; S524-T527 WeakPolarHBondContact O-CB 3.2Å; S524-T527 PolarHBondContact O-N 3.2Å; S524-T527 VanDerWaalsContact O-N 3.16Å; T527-K529 VanDerWaalsContact C-N 3.31Å; T527-K529 PolarHBondContact O-N 2.85Å; T527-K530 WeakPolarHBondContact O-CB 3.05Å; T527-K530 PolarHBondContact O-N 3.34Å; T527-K530 VanDerWaalsContact O-N 3.08Å; T527-M531 HydrophobicContact CG2-CE 3.48Å; T527-M531 VanDerWaalsContact CG2-CE 3.48Å; T527-M531 HydrophobicContact CG2-CG 4.17Å; T527-M531 VanDerWaalsContact O-CG 3.27Å; T527-M531 WeakPolarHBondContact O-CG 3.41Å; T527-M531 PolarHBondContact O-N 2.95Å
528	K	97.4	Very high	96.9	Very high	24 Å²	24	35.1 Å²	35.1	10%	0.104	20%	0.201	C	C	.	.	H	α-helix	trans	-55.1	-44.7	176.6	-67	-177.8	-176.2	-170.2	0	112	I519 D520 C522 S524 D525 K530 M531 Y532 F563	I519-K528 HydrophobicContact CG2-CB 4.24Å; I519-K528 HydrophobicContact CG2-CG 4.33Å; D520-K528 WeakPolarHBondContact O-CE 3.48Å; D520-K528 PolarHBondContact O-NZ 3.36Å; D520-K528 IonicContact OD1-NZ 2.76Å; D520-K528 PolarHBondContact OD1-NZ 3.09Å; C522-K528 HydrophobicContact CB-CG 3.81Å; C522-K528 WeakPolarHBondContact O-CE 3.29Å; S524-K528 WeakPolarHBondContact O-CG 3.5Å; S524-K528 PolarHBondContact O-N 3.01Å; D525-K528 PolarHBondContact O-N 3.34Å; K528-K530 PolarHBondContact O-N 3.29Å; K528-M531 PolarHBondContact O-N 3.27Å; K528-Y532 HydrophobicContact CB-CD2 4.41Å; K528-Y532 HydrophobicContact CB-CE2 4.39Å; K528-Y532 WeakPolarHBondContact O-CB 3.41Å; K528-Y532 WeakPolarHBondContact O-CD2 3.49Å; K528-Y532 PolarHBondContact O-N 3.38Å; K528-F563 HydrophobicContact CB-CD1 4.5Å; K528-F563 HydrophobicContact CB-CE1 3.78Å; K528-F563 HydrophobicContact CB-CZ 3.85Å; K528-F563 HydrophobicContact CD-CE1 4.47Å; K528-F563 HydrophobicContact CD-CE2 4.06Å; K528-F563 HydrophobicContact CD-CZ 3.68Å; K528-F563 HydrophobicContact CG-CZ 4.38Å
529	K	96.5	Very high	96.9	Very high	70 Å²	70	35.5 Å²	35.5	30%	0.304	21%	0.206	S	C	.	.	H	α-helix	trans	-56.4	-49.4	175.1	-75	-179.7	-62.1	178.9	0	111.5	D525 D526 T527 M531 Y532 S533 F563 I566 I567	D525-K529 WeakPolarHBondContact O-CG 3.36Å; D525-K529 PolarHBondContact O-N 3.06Å; D526-K529 PolarHBondContact O-N 3.34Å; D526-K529 WeakPolarHBondContact OD1-CE 3.23Å; D526-K529 IonicContact OD1-NZ 3.72Å; D526-K529 PolarHBondContact OD1-NZ 2.92Å; T527-K529 VanDerWaalsContact C-N 3.31Å; T527-K529 PolarHBondContact O-N 2.85Å; K529-M531 VanDerWaalsContact C-N 3.34Å; K529-M531 PolarHBondContact O-N 2.93Å; K529-Y532 PolarHBondContact O-N 2.76Å; K529-S533 WeakPolarHBondContact O-CB 3.36Å; K529-S533 PolarHBondContact O-N 3.27Å; K529-S533 PolarHBondContact O-OG 2.72Å; K529-S533 VanDerWaalsContact O-OG 3.11Å; K529-F563 HydrophobicContact CG-CD1 4.07Å; K529-F563 HydrophobicContact CG-CE1 4.15Å; K529-I566 HydrophobicContact CD-CG2 3.75Å; K529-I566 HydrophobicContact CG-CG2 4.49Å; K529-I567 HydrophobicContact CB-CD1 4.5Å; K529-I567 HydrophobicContact CB-CG1 4.42Å; K529-I567 HydrophobicContact CG-CD1 4.45Å; K529-I567 HydrophobicContact CG-CG1 4.18Å
530	K	96.6	Very high	96.8	Very high	70 Å²	70	36.8 Å²	36.8	30%	0.304	22%	0.219	S	C	.	.	H	α-helix	trans	-59	-43	177.6	-67.1	-164.4	-66.8	173	0	112.6	S278 E295 D526 T527 K528 S533 S534	S278-K530 PolarHBondContact OG-NZ 3.09Å; E295-K530 WeakPolarHBondContact OE1-CE 3.43Å; E295-K530 IonicContact OE1-NZ 3.12Å; E295-K530 PolarHBondContact OE1-NZ 3.17Å; D526-K530 PolarHBondContact O-N 3.19Å; D526-K530 VanDerWaalsContact O-N 3.11Å; T527-K530 WeakPolarHBondContact O-CB 3.05Å; T527-K530 PolarHBondContact O-N 3.34Å; T527-K530 VanDerWaalsContact O-N 3.08Å; K528-K530 PolarHBondContact O-N 3.29Å; K530-S533 WeakPolarHBondContact CA-OG 3.05Å; K530-S533 PolarHBondContact O-N 3.15Å; K530-S533 PolarHBondContact O-OG 3.44Å; K530-S534 PolarHBondContact O-N 3.11Å; K530-S534 VanDerWaalsContact O-N 3.11Å
531	M	98.1	Very high	96.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-72	-35.7	-178.3	-58	-51.5	157	0	0	113	C280 C293 V294 E295 I519 T527 K528 K529 S534 I535	C280-M531 HydrophobicContact CB-CB 4.27Å; C293-M531 HydrophobicContact CB-CE 4.05Å; C293-M531 HydrophobicContact CB-CG 3.85Å; C293-M531 HydrophobicContact CB-SD 3.7Å; V294-M531 WeakPolarHBondContact O-CE 3.49Å; E295-M531 HydrophobicContact CB-CE 4.03Å; I519-M531 HydrophobicContact CB-CB 4.42Å; I519-M531 HydrophobicContact CD1-CB 4.09Å; I519-M531 HydrophobicContact CG1-CB 3.82Å; I519-M531 HydrophobicContact CG2-CB 3.9Å; T527-M531 HydrophobicContact CG2-CE 3.48Å; T527-M531 VanDerWaalsContact CG2-CE 3.48Å; T527-M531 HydrophobicContact CG2-CG 4.17Å; T527-M531 VanDerWaalsContact O-CG 3.27Å; T527-M531 WeakPolarHBondContact O-CG 3.41Å; T527-M531 PolarHBondContact O-N 2.95Å; K528-M531 PolarHBondContact O-N 3.27Å; K529-M531 VanDerWaalsContact C-N 3.34Å; K529-M531 PolarHBondContact O-N 2.93Å; M531-S534 CarbonylContact O-C 3.54Å; M531-I535 WeakPolarHBondContact O-CG1 3.31Å
532	Y	97.3	Very high	96.9	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-71.5	-34.9	173.6	-81.7	-57.8	0	0	0	112.2	L516 I519 K528 K529 S534 M559 P560 F563 I567	L516-Y532 HydrophobicContact CD2-CE1 3.67Å; I519-Y532 HydrophobicContact CB-CE1 4.31Å; I519-Y532 HydrophobicContact CB-CE2 4.42Å; I519-Y532 HydrophobicContact CD1-CD1 3.72Å; I519-Y532 HydrophobicContact CD1-CE1 3.87Å; I519-Y532 HydrophobicContact CD1-CG 4.25Å; I519-Y532 HydrophobicContact CG2-CD1 4.25Å; I519-Y532 HydrophobicContact CG2-CD2 3.68Å; I519-Y532 HydrophobicContact CG2-CE1 4.02Å; I519-Y532 HydrophobicContact CG2-CE2 3.41Å; I519-Y532 VanDerWaalsContact CG2-CE2 3.41Å; I519-Y532 HydrophobicContact CG2-CG 4.07Å; K528-Y532 HydrophobicContact CB-CD2 4.41Å; K528-Y532 HydrophobicContact CB-CE2 4.39Å; K528-Y532 WeakPolarHBondContact O-CB 3.41Å; K528-Y532 WeakPolarHBondContact O-CD2 3.49Å; K528-Y532 PolarHBondContact O-N 3.38Å; K529-Y532 PolarHBondContact O-N 2.76Å; Y532-S534 VanDerWaalsContact C-N 3.28Å; Y532-S534 PolarHBondContact O-N 3.28Å; Y532-M559 HydrophobicContact CD1-CB 4.41Å; Y532-M559 HydrophobicContact CD1-CE 3.89Å; Y532-M559 HydrophobicContact CD2-CE 4.35Å; Y532-M559 HydrophobicContact CE1-CB 3.98Å; Y532-M559 HydrophobicContact CE1-CE 4.36Å; Y532-M559 HydrophobicContact CG-CE 3.9Å; Y532-P560 WeakPolarHBondContact OH-CD 3.18Å; Y532-F563 HydrophobicContact CD2-CB 4.15Å; Y532-F563 HydrophobicContact CD2-CD1 4.31Å; Y532-F563 HydrophobicContact CD2-CG 4.1Å; Y532-F563 HydrophobicContact CE2-CB 4.23Å; Y532-F563 HydrophobicContact CE2-CD1 4.5Å; Y532-F563 HydrophobicContact CE2-CD2 4.05Å; Y532-F563 HydrophobicContact CE2-CG 4Å; Y532-I567 HydrophobicContact CD2-CD1 4.06Å; Y532-I567 HydrophobicContact CG-CD1 4Å
533	S	96.9	Very high	97	Very high	43 Å²	43	34 Å²	34	30%	0.301	20%	0.199	S	C	.	.	H	α-helix	trans	-71	-23.6	176.2	58.9	0	0	0	0	113.1	K529 K530 N569 D571	K529-S533 WeakPolarHBondContact O-CB 3.36Å; K529-S533 PolarHBondContact O-N 3.27Å; K529-S533 PolarHBondContact O-OG 2.72Å; K529-S533 VanDerWaalsContact O-OG 3.11Å; K530-S533 WeakPolarHBondContact CA-OG 3.05Å; K530-S533 PolarHBondContact O-N 3.15Å; K530-S533 PolarHBondContact O-OG 3.44Å; S533-N569 WeakPolarHBondContact CA-O 3.37Å; S533-D571 VanDerWaalsContact O-CB 3.24Å; S533-D571 WeakPolarHBondContact O-CB 3.42Å; S533-D571 PolarHBondContact O-N 3.33Å; S533-D571 VanDerWaalsContact O-N 3.12Å
534	S	98.1	Very high	97.4	Very high	15 Å²	15	29.1 Å²	29.1	11%	0.105	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	109	-178.4	-175.4	0	0	0	0	112	T279 C280 K530 M531 Y532	T279-S534 WeakPolarHBondContact CB-OG 3.34Å; T279-S534 PolarHBondContact OG1-O 2.91Å; T279-S534 PolarHBondContact OG1-OG 2.88Å; C280-S534 PolarHBondContact N-O 3.35Å; K530-S534 PolarHBondContact O-N 3.11Å; K530-S534 VanDerWaalsContact O-N 3.11Å; M531-S534 CarbonylContact O-C 3.54Å; Y532-S534 VanDerWaalsContact C-N 3.28Å; Y532-S534 PolarHBondContact O-N 3.28Å
535	I	98.8	Very high	97.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	107.8	174.8	-57.3	166.8	0	0	0	108.4	C280 V282 I515 M531 I555 V570 D571 V572 I573	C280-I535 HydrophobicContact CB-CG1 4.19Å; C280-I535 HydrophobicContact CB-CG2 4.5Å; C280-I535 CarbonylContact O-C 3.54Å; C280-I535 WeakPolarHBondContact O-CA 3.38Å; V282-I535 HydrophobicContact CG2-CG2 3.92Å; I515-I535 HydrophobicContact CG2-CD1 4.04Å; I515-I535 HydrophobicContact CG2-CG2 4.49Å; M531-I535 WeakPolarHBondContact O-CG1 3.31Å; I535-I555 HydrophobicContact CD1-CG1 4.16Å; I535-I555 HydrophobicContact CD1-CG2 3.97Å; I535-V570 HydrophobicContact CD1-CG1 4.13Å; I535-D571 PolarHBondContact N-O 3.48Å; I535-V572 HydrophobicContact CB-CG2 4.32Å; I535-V572 HydrophobicContact CD1-CG2 4.41Å; I535-V572 CarbonylContact O-C 3.53Å; I535-V572 WeakPolarHBondContact O-CA 3.5Å; I535-I573 PolarHBondContact O-N 3.33Å
536	L	98.8	Very high	97.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	121.5	176.5	177.3	67.6	0	0	0	110.6	S274 L276 T279 C280 I281 V282 V538 I573 P576	S274-L536 WeakPolarHBondContact OG-CD2 3.35Å; L276-L536 HydrophobicContact CD1-CB 4.13Å; L276-L536 HydrophobicContact CD1-CD1 4.33Å; L276-L536 HydrophobicContact CD1-CD2 4.37Å; L276-L536 HydrophobicContact CD1-CG 4.5Å; T279-L536 HydrophobicContact CG2-CB 4.3Å; T279-L536 PolarHBondContact OG1-N 2.94Å; C280-L536 PolarHBondContact O-N 2.99Å; I281-L536 CarbonylContact C-O 3.58Å; I281-L536 HydrophobicContact CD1-CB 4.07Å; I281-L536 HydrophobicContact CD1-CD2 3.75Å; I281-L536 HydrophobicContact CD1-CG 4.34Å; V282-L536 PolarHBondContact N-O 3.36Å; L536-V538 HydrophobicContact CD1-CG1 4.25Å; L536-V538 HydrophobicContact CD2-CG1 3.91Å; L536-V538 HydrophobicContact CG-CG1 3.83Å; L536-I573 HydrophobicContact CD1-CB 4.06Å; L536-I573 HydrophobicContact CD1-CG2 3.99Å; L536-P576 HydrophobicContact CD1-CB 4.38Å; L536-P576 HydrophobicContact CD1-CG 3.85Å
537	V	98.8	Very high	97.9	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.03	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.4	173	-174.2	0	0	0	0	109.7	V282 V284 L542 L551 V572 I573 T574	V282-V537 HydrophobicContact CB-CG2 4.23Å; V282-V537 CarbonylContact O-C 3.56Å; V282-V537 WeakPolarHBondContact O-CA 3.46Å; V284-V537 HydrophobicContact CG2-CG1 4.43Å; V537-L542 HydrophobicContact CG1-CB 4.28Å; V537-L542 HydrophobicContact CG1-CD2 3.87Å; V537-L551 HydrophobicContact CG2-CD2 3.66Å; V537-V572 HydrophobicContact CG2-CG1 3.91Å; V537-I573 PolarHBondContact N-O 3.19Å; V537-T574 HydrophobicContact CB-CG2 4.14Å; V537-T574 HydrophobicContact CG2-CG2 4.47Å
538	V	98.4	Very high	98	Very high	2 Å²	2	29 Å²	29	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	176.7	177.1	-59.6	0	0	0	0	111.1	A270 I281 V282 D283 V284 L536 I584	A270-V538 HydrophobicContact CB-CG1 4.22Å; A270-V538 HydrophobicContact CB-CG2 4.28Å; I281-V538 HydrophobicContact CG2-CG2 4.26Å; V282-V538 PolarHBondContact O-N 3.29Å; D283-V538 HydrophobicContact CB-CG2 3.71Å; V284-V538 PolarHBondContact N-O 2.98Å; L536-V538 HydrophobicContact CD1-CG1 4.25Å; L536-V538 HydrophobicContact CD2-CG1 3.91Å; L536-V538 HydrophobicContact CG-CG1 3.83Å; V538-I584 HydrophobicContact CG1-CB 3.98Å; V538-I584 HydrophobicContact CG1-CG1 4.13Å; V538-I584 HydrophobicContact CG1-CG2 4.09Å
539	G	97.4	Very high	98	Very high	9 Å²	9	31.8 Å²	31.8	9%	0.093	16%	0.164	C	C	.	.	S	Bend	trans	84.7	170.8	-178	0	0	0	0	0	113.2	V284 P581	V284-G539 CarbonylContact O-C 3.58Å; V284-G539 VanDerWaalsContact O-C 3.29Å; V284-G539 WeakPolarHBondContact O-CA 3.41Å; G539-P581 PolarHBondContact N-O 3.12Å; G539-P581 WeakPolarHBondContact O-CB 3.28Å
540	G	96.4	Very high	98.1	Very high	27 Å²	27	28.8 Å²	28.8	28%	0.278	15%	0.151	S	C	.	.	S	Bend	trans	-90.4	-13.2	-172.6	0	0	0	0	0	115.5	V284 L542 R582	V284-G540 PolarHBondContact O-N 3.47Å; V284-G540 VanDerWaalsContact O-N 3.11Å; G540-L542 PolarHBondContact O-N 3.44Å; G540-R582 VanDerWaalsContact CA-CG 3.49Å
541	G	98.3	Very high	98.2	Very high	3 Å²	3	25.5 Å²	25.5	3%	0.031	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11	-167.5	0	0	0	0	0	115.4	V284 F544	V284-G541 WeakPolarHBondContact O-CA 3.44Å; V284-G541 PolarHBondContact O-N 2.85Å; G541-F544 WeakPolarHBondContact O-CE2 3.42Å
542	L	98.6	Very high	98.2	Very high	8 Å²	8	28 Å²	28	4%	0.042	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	23.8	175.6	-155.9	74.4	0	0	0	113	V284 L353 L392 L511 V537 G540 F544 A547 L551	V284-L542 HydrophobicContact CB-CB 4.07Å; V284-L542 HydrophobicContact CG1-CB 4.33Å; V284-L542 HydrophobicContact CG2-CB 3.94Å; L353-L542 HydrophobicContact CD1-CD1 4.25Å; L392-L542 HydrophobicContact CD1-CD1 3.36Å; L511-L542 HydrophobicContact CD2-CD1 4.27Å; L511-L542 HydrophobicContact CD2-CD2 4.08Å; V537-L542 HydrophobicContact CG1-CB 4.28Å; V537-L542 HydrophobicContact CG1-CD2 3.87Å; G540-L542 PolarHBondContact O-N 3.44Å; L542-F544 HydrophobicContact CD1-CD2 4.07Å; L542-F544 HydrophobicContact CD1-CE2 4.2Å; L542-F544 HydrophobicContact CG-CD2 4.47Å; L542-F544 PolarHBondContact O-N 3Å; L542-A547 HydrophobicContact CG-CB 4.15Å; L542-A547 VanDerWaalsContact O-CB 3.31Å; L542-A547 WeakPolarHBondContact O-CB 3.48Å; L542-L551 HydrophobicContact CD2-CD2 4.44Å
543	M	98.3	Very high	98.2	Very high	68 Å²	68	31.5 Å²	31.5	34%	0.335	16%	0.164	S	C	.	.			trans	-76.7	39.8	178.2	-66.8	178.5	66.2	0	0	113.4	P581 R582	M543-P581 HydrophobicContact CG-CB 4.49Å; M543-P581 HydrophobicContact CG-CG 4.2Å; M543-P581 HydrophobicContact SD-CG 4.48Å; M543-R582 HydrophobicContact SD-CG 3.58Å; M543-R582 VanDerWaalsContact SD-CG 3.58Å
544	F	98.6	Very high	98.2	Very high	18 Å²	18	30.5 Å²	30.5	8%	0.079	15%	0.154	C	C	.	.			trans	-85.1	148.1	178.7	-55.4	-69	0	0	0	111.2	V314 K347 C351 L353 P389 L392 G541 L542 K546 A547	V314-F544 HydrophobicContact CG1-CE1 4.5Å; V314-F544 HydrophobicContact CG1-CZ 3.93Å; K347-F544 HydrophobicContact CD-CE1 4.21Å; K347-F544 HydrophobicContact CD-CZ 4.32Å; K347-F544 HydrophobicContact CG-CE1 4.04Å; C351-F544 HydrophobicContact CB-CD1 3.72Å; C351-F544 HydrophobicContact CB-CE1 3.67Å; L353-F544 HydrophobicContact CD1-CB 4.32Å; L353-F544 HydrophobicContact CD1-CD2 4.14Å; L353-F544 HydrophobicContact CG-CB 4.26Å; P389-F544 HydrophobicContact CB-CD1 4.36Å; P389-F544 HydrophobicContact CB-CD2 3.93Å; P389-F544 HydrophobicContact CB-CE1 4.34Å; P389-F544 HydrophobicContact CB-CE2 3.9Å; P389-F544 HydrophobicContact CB-CG 4.17Å; P389-F544 HydrophobicContact CB-CZ 4.12Å; P389-F544 HydrophobicContact CG-CD1 3.94Å; P389-F544 HydrophobicContact CG-CD2 4.4Å; P389-F544 HydrophobicContact CG-CE1 3.88Å; P389-F544 HydrophobicContact CG-CE2 4.34Å; P389-F544 HydrophobicContact CG-CG 4.21Å; P389-F544 HydrophobicContact CG-CZ 4.09Å; L392-F544 HydrophobicContact CD1-CE2 4.03Å; G541-F544 WeakPolarHBondContact O-CE2 3.42Å; L542-F544 HydrophobicContact CD1-CD2 4.07Å; L542-F544 HydrophobicContact CD1-CE2 4.2Å; L542-F544 HydrophobicContact CG-CD2 4.47Å; L542-F544 PolarHBondContact O-N 3Å; F544-K546 PolarHBondContact O-N 3.27Å; F544-A547 HydrophobicContact CB-CB 4.32Å; F544-A547 WeakPolarHBondContact O-CB 3.43Å; F544-A547 PolarHBondContact O-N 2.66Å; F544-A547 VanDerWaalsContact O-N 3.09Å
545	H	98.6	Very high	98.2	Very high	102 Å²	102	29.8 Å²	29.8	47%	0.472	15%	0.149	S	C	.	.	B	Isolated β-bridge	trans	-55.2	133.8	169.6	-179.7	-109.9	0	0	0	110.5	H352 L353 D354 A547	H352-H545 HydrophobicContact CB-CB 4.09Å; L353-H545 PolarHBondContact N-O 3.07Å; D354-H545 IonicContact OD2-CE1 3.24Å; D354-H545 PolarHBondContact OD2-CE1 3.09Å; D354-H545 VanDerWaalsContact OD2-CE1 3.25Å; D354-H545 IonicContact OD2-ND1 3.91Å; H545-A547 VanDerWaalsContact C-N 3.26Å; H545-A547 PolarHBondContact O-N 3.43Å
546	K	98.4	Very high	98.1	Very high	80 Å²	80	32.1 Å²	32.1	35%	0.348	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	17.2	-174.7	-64.4	-66.3	179.8	-178.6	0	117	D354 F544 Q548 E549 F550	D354-K546 HydrophobicContact CB-CB 3.97Å; D354-K546 HydrophobicContact CB-CG 3.77Å; F544-K546 PolarHBondContact O-N 3.27Å; K546-Q548 VanDerWaalsContact C-N 3.31Å; K546-Q548 PolarHBondContact O-N 3.14Å; K546-E549 WeakPolarHBondContact CA-OE2 3.49Å; K546-E549 VanDerWaalsContact CD-CD 3.46Å; K546-E549 HydrophobicContact CD-CG 4.43Å; K546-E549 WeakPolarHBondContact CD-OE1 3.41Å; K546-E549 IonicContact NZ-OE1 3.21Å; K546-E549 PolarHBondContact NZ-OE1 2.85Å; K546-F550 WeakPolarHBondContact O-CB 3.33Å; K546-F550 PolarHBondContact O-N 3.42Å
547	A	98.6	Very high	97.9	Very high	5 Å²	5	36.3 Å²	36.3	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-40	178	0	0	0	0	0	113.5	L353 L542 F544 H545 L551	L353-A547 HydrophobicContact CD1-CB 3.95Å; L542-A547 HydrophobicContact CG-CB 4.15Å; L542-A547 VanDerWaalsContact O-CB 3.31Å; L542-A547 WeakPolarHBondContact O-CB 3.48Å; F544-A547 HydrophobicContact CB-CB 4.32Å; F544-A547 WeakPolarHBondContact O-CB 3.43Å; F544-A547 PolarHBondContact O-N 2.66Å; F544-A547 VanDerWaalsContact O-N 3.09Å; H545-A547 VanDerWaalsContact C-N 3.26Å; H545-A547 PolarHBondContact O-N 3.43Å; A547-L551 WeakPolarHBondContact O-CB 3.41Å; A547-L551 PolarHBondContact O-N 3.47Å
548	Q	98.4	Very high	97.7	Very high	60 Å²	60	39.6 Å²	39.6	28%	0.28	20%	0.198	S	C	.	.	H	α-helix	trans	-61.3	-58	-179	-176.3	167.8	-58.4	0	0	111.4	K546 F550 L551 Q552 V572 T574	K546-Q548 VanDerWaalsContact C-N 3.31Å; K546-Q548 PolarHBondContact O-N 3.14Å; Q548-F550 VanDerWaalsContact C-N 3.28Å; Q548-F550 PolarHBondContact O-N 3.07Å; Q548-L551 PolarHBondContact O-N 3.19Å; Q548-Q552 WeakPolarHBondContact O-CB 3.46Å; Q548-Q552 PolarHBondContact O-N 3.47Å; Q548-V572 HydrophobicContact CG-CB 4.21Å; Q548-V572 HydrophobicContact CG-CG1 4.17Å; Q548-V572 WeakPolarHBondContact CG-O 3.39Å; Q548-V572 PolarHBondContact NE2-O 3.5Å; Q548-V572 PolarHBondContact OE1-O 3.44Å; Q548-T574 HydrophobicContact CB-CG2 3.67Å; Q548-T574 HydrophobicContact CG-CG2 4.1Å; Q548-T574 VanDerWaalsContact OE1-N 3.1Å; Q548-T574 PolarHBondContact OE1-OG1 2.83Å
549	E	98.3	Very high	97.5	Very high	81 Å²	81	39.9 Å²	39.9	38%	0.379	20%	0.199	S	C	.	.	H	α-helix	trans	-65.3	-35.9	-178	-56.3	95.4	136.8	0	0	111.2	K546 H553	K546-E549 WeakPolarHBondContact CA-OE2 3.49Å; K546-E549 VanDerWaalsContact CD-CD 3.46Å; K546-E549 HydrophobicContact CD-CG 4.43Å; K546-E549 WeakPolarHBondContact CD-OE1 3.41Å; K546-E549 IonicContact NZ-OE1 3.21Å; K546-E549 PolarHBondContact NZ-OE1 2.85Å; E549-H553 VanDerWaalsContact O-CB 3.28Å; E549-H553 WeakPolarHBondContact O-CB 3.2Å; E549-H553 PolarHBondContact O-N 2.81Å
550	F	98.4	Very high	97.4	Very high	7 Å²	7	41.6 Å²	41.6	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-50.9	175.1	-177.5	-84.9	0	0	0	111.7	L353 M390 F393 K546 Q548 H553 R554	L353-F550 HydrophobicContact CB-CB 3.84Å; L353-F550 HydrophobicContact CB-CD1 4.41Å; L353-F550 HydrophobicContact CB-CD2 4.09Å; L353-F550 HydrophobicContact CB-CG 3.87Å; L353-F550 HydrophobicContact CD1-CD1 4.13Å; L353-F550 HydrophobicContact CD1-CG 4.39Å; L353-F550 HydrophobicContact CD2-CD1 4.07Å; L353-F550 HydrophobicContact CD2-CD2 4.26Å; L353-F550 HydrophobicContact CD2-CE1 4.02Å; L353-F550 HydrophobicContact CD2-CE2 4.22Å; L353-F550 HydrophobicContact CD2-CG 4.2Å; L353-F550 HydrophobicContact CD2-CZ 4.1Å; L353-F550 HydrophobicContact CG-CD1 4.45Å; L353-F550 HydrophobicContact CG-CG 4.39Å; L353-F550 VanDerWaalsContact O-CD2 3.3Å; L353-F550 WeakPolarHBondContact O-CD2 3.31Å; M390-F550 HydrophobicContact CE-CE2 4.47Å; M390-F550 HydrophobicContact CE-CZ 3.99Å; M390-F550 HydrophobicContact CG-CE2 4.34Å; M390-F550 HydrophobicContact CG-CZ 3.88Å; M390-F550 HydrophobicContact SD-CE2 4.03Å; M390-F550 HydrophobicContact SD-CZ 3.91Å; F393-F550 HydrophobicContact CD1-CE1 4.48Å; F393-F550 AromaticContact CD2-CE1 3.83Å; F393-F550 HydrophobicContact CD2-CE1 3.83Å; F393-F550 HydrophobicContact CE1-CD1 4.47Å; F393-F550 HydrophobicContact CE1-CE1 4.13Å; F393-F550 AromaticContact CE2-CD1 3.93Å; F393-F550 HydrophobicContact CE2-CD1 3.93Å; F393-F550 AromaticContact CE2-CE1 3.44Å; F393-F550 HydrophobicContact CE2-CE1 3.44Å; F393-F550 VanDerWaalsContact CE2-CE1 3.44Å; F393-F550 HydrophobicContact CE2-CZ 4.46Å; F393-F550 HydrophobicContact CG-CE1 4.34Å; F393-F550 AromaticContact CZ-CD1 3.78Å; F393-F550 HydrophobicContact CZ-CD1 3.78Å; F393-F550 AromaticContact CZ-CE1 3.6Å; F393-F550 HydrophobicContact CZ-CE1 3.6Å; K546-F550 WeakPolarHBondContact O-CB 3.33Å; K546-F550 PolarHBondContact O-N 3.42Å; Q548-F550 VanDerWaalsContact C-N 3.28Å; Q548-F550 PolarHBondContact O-N 3.07Å; F550-H553 PolarHBondContact O-N 3.18Å; F550-R554 HydrophobicContact CD1-CG 4.37Å; F550-R554 HydrophobicContact CE1-CG 4.04Å; F550-R554 HydrophobicContact CZ-CG 4.46Å; F550-R554 WeakPolarHBondContact O-CG 3.27Å; F550-R554 PolarHBondContact O-N 3.1Å; F550-R554 VanDerWaalsContact O-N 3.16Å
551	L	98.5	Very high	97.2	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-46.3	-179.6	177.8	61	0	0	0	110.9	F393 D512 I515 V537 L542 A547 Q548 H553 R554 I555 V572	F393-L551 HydrophobicContact CE1-CD1 3.74Å; F393-L551 HydrophobicContact CZ-CD1 4.28Å; D512-L551 HydrophobicContact CB-CD1 4.49Å; I515-L551 HydrophobicContact CD1-CD1 3.9Å; I515-L551 HydrophobicContact CD1-CD2 4.08Å; V537-L551 HydrophobicContact CG2-CD2 3.66Å; L542-L551 HydrophobicContact CD2-CD2 4.44Å; A547-L551 WeakPolarHBondContact O-CB 3.41Å; A547-L551 PolarHBondContact O-N 3.47Å; Q548-L551 PolarHBondContact O-N 3.19Å; L551-H553 VanDerWaalsContact C-N 3.32Å; L551-H553 PolarHBondContact O-N 2.95Å; L551-R554 WeakPolarHBondContact O-CA 3.32Å; L551-R554 WeakPolarHBondContact O-CB 3.32Å; L551-R554 PolarHBondContact O-N 3.09Å; L551-I555 HydrophobicContact CD1-CD1 4.25Å; L551-I555 HydrophobicContact CD1-CG1 4.08Å; L551-I555 HydrophobicContact CG-CG1 4.3Å; L551-I555 WeakPolarHBondContact O-CG1 3.43Å; L551-I555 PolarHBondContact O-N 3.25Å; L551-V572 HydrophobicContact CB-CG1 4.44Å; L551-V572 HydrophobicContact CD2-CG1 3.9Å; L551-V572 HydrophobicContact CG-CG1 4.35Å; L551-V572 HydrophobicContact CG-CG2 4.38Å
552	Q	98.3	Very high	96.9	Very high	52 Å²	52	47.3 Å²	47.3	24%	0.243	24%	0.241	C	C	.	.	H	α-helix	trans	-55.4	-46.8	178.1	-172	179.6	-0.1	0	0	111.7	Q548 R554 I555 L556 V570 V572	Q548-Q552 WeakPolarHBondContact O-CB 3.46Å; Q548-Q552 PolarHBondContact O-N 3.47Å; Q552-R554 VanDerWaalsContact C-N 3.3Å; Q552-R554 PolarHBondContact O-N 3.43Å; Q552-I555 PolarHBondContact O-N 3.33Å; Q552-L556 HydrophobicContact CG-CD1 4.29Å; Q552-L556 WeakPolarHBondContact O-CB 3.38Å; Q552-L556 WeakPolarHBondContact O-CG 3.46Å; Q552-L556 PolarHBondContact O-N 3.15Å; Q552-V570 HydrophobicContact CG-CG1 4.46Å; Q552-V570 WeakPolarHBondContact CG-O 3.46Å; Q552-V570 PolarHBondContact NE2-O 3.11Å; Q552-V572 HydrophobicContact CB-CB 4.13Å; Q552-V572 HydrophobicContact CB-CG2 3.72Å; Q552-V572 HydrophobicContact CG-CG2 4.19Å
553	H	97.1	Very high	96.6	Very high	75 Å²	75	47.7 Å²	47.7	35%	0.347	24%	0.243	S	C	.	.	H	α-helix	trans	-58.7	-39.8	174.9	172.5	-93.2	0	0	0	112.5	E549 F550 L551 N557	E549-H553 VanDerWaalsContact O-CB 3.28Å; E549-H553 WeakPolarHBondContact O-CB 3.2Å; E549-H553 PolarHBondContact O-N 2.81Å; F550-H553 PolarHBondContact O-N 3.18Å; L551-H553 VanDerWaalsContact C-N 3.32Å; L551-H553 PolarHBondContact O-N 2.95Å; H553-N557 PolarHBondContact CE1-ND2 3Å; H553-N557 PolarHBondContact NE2-ND2 3.45Å; H553-N557 PolarHBondContact O-N 3.11Å; H553-N557 PolarHBondContact O-ND2 2.87Å; H553-N557 VanDerWaalsContact O-ND2 3.12Å
554	R	97.4	Very high	96.3	Very high	23 Å²	23	50.1 Å²	50.1	9%	0.087	25%	0.248	C	C	.	.	H	α-helix	trans	-68.9	-41.9	177.9	-68.7	-160.3	71.8	138.4	19.8	112.5	Y394 D512 F550 L551 Q552 N557 K558	Y394-R554 PolarHBondContact OH-NH2 2.96Å; D512-R554 HydrophobicContact CB-CB 4.42Å; D512-R554 IonicContact OD2-CZ 3.97Å; D512-R554 VanDerWaalsContact OD2-CZ 3.23Å; D512-R554 IonicContact OD2-NE 2.78Å; D512-R554 PolarHBondContact OD2-NE 3.21Å; D512-R554 IonicContact OD2-NH2 3.11Å; D512-R554 PolarHBondContact OD2-NH2 2.92Å; F550-R554 HydrophobicContact CD1-CG 4.37Å; F550-R554 HydrophobicContact CE1-CG 4.04Å; F550-R554 HydrophobicContact CZ-CG 4.46Å; F550-R554 WeakPolarHBondContact O-CG 3.27Å; F550-R554 PolarHBondContact O-N 3.1Å; F550-R554 VanDerWaalsContact O-N 3.16Å; L551-R554 WeakPolarHBondContact O-CA 3.32Å; L551-R554 WeakPolarHBondContact O-CB 3.32Å; L551-R554 PolarHBondContact O-N 3.09Å; Q552-R554 VanDerWaalsContact C-N 3.3Å; Q552-R554 PolarHBondContact O-N 3.43Å; R554-N557 PolarHBondContact O-N 2.89Å; R554-K558 VanDerWaalsContact NH2-NZ 3.12Å; R554-K558 WeakPolarHBondContact O-CB 3.35Å; R554-K558 WeakPolarHBondContact O-CG 3.23Å; R554-K558 PolarHBondContact O-N 2.82Å; R554-K558 VanDerWaalsContact O-N 3.14Å
555	I	97.9	Very high	95.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-49.9	177.4	-62.8	-58.3	0	0	0	110	D512 I515 L516 I535 L551 Q552 N557 K558 M559 V570	D512-I555 HydrophobicContact CB-CD1 4.1Å; I515-I555 HydrophobicContact CB-CD1 4.07Å; I515-I555 HydrophobicContact CD1-CD1 4.24Å; I515-I555 HydrophobicContact CG2-CD1 3.86Å; L516-I555 HydrophobicContact CD2-CD1 4.33Å; L516-I555 HydrophobicContact CD2-CG2 4.33Å; L516-I555 HydrophobicContact CG-CD1 4.44Å; I535-I555 HydrophobicContact CD1-CG1 4.16Å; I535-I555 HydrophobicContact CD1-CG2 3.97Å; L551-I555 HydrophobicContact CD1-CD1 4.25Å; L551-I555 HydrophobicContact CD1-CG1 4.08Å; L551-I555 HydrophobicContact CG-CG1 4.3Å; L551-I555 WeakPolarHBondContact O-CG1 3.43Å; L551-I555 PolarHBondContact O-N 3.25Å; Q552-I555 PolarHBondContact O-N 3.33Å; I555-N557 PolarHBondContact O-N 3.25Å; I555-K558 PolarHBondContact O-N 3.29Å; I555-K558 VanDerWaalsContact O-N 3.07Å; I555-M559 VanDerWaalsContact O-CB 3.32Å; I555-M559 WeakPolarHBondContact O-CB 3.12Å; I555-M559 WeakPolarHBondContact O-CG 3.43Å; I555-M559 PolarHBondContact O-N 3.13Å; I555-V570 HydrophobicContact CB-CG1 4.27Å; I555-V570 HydrophobicContact CG2-CG1 3.8Å
556	L	96.1	Very high	95.5	Very high	49 Å²	49	59.4 Å²	59.4	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-53.2	-41.8	178.2	-77.8	170.2	0	0	0	112.5	Q552 M559 R564 V570	Q552-L556 HydrophobicContact CG-CD1 4.29Å; Q552-L556 WeakPolarHBondContact O-CB 3.38Å; Q552-L556 WeakPolarHBondContact O-CG 3.46Å; Q552-L556 PolarHBondContact O-N 3.15Å; L556-M559 HydrophobicContact CD2-SD 4.31Å; L556-R564 VanDerWaalsContact C-NH1 3.33Å; L556-R564 WeakPolarHBondContact O-CD 3.5Å; L556-R564 PolarHBondContact O-NH1 3Å; L556-V570 HydrophobicContact CD2-CB 3.81Å; L556-V570 HydrophobicContact CD2-CG2 3.61Å; L556-V570 HydrophobicContact CG-CB 4.13Å; L556-V570 HydrophobicContact CG-CG2 4.28Å
557	N	95	Very high	95.1	Very high	88 Å²	88	56.6 Å²	56.6	47%	0.471	27%	0.274	S	S	.	.	H	α-helix	trans	-81	-17.1	-177	-68.9	-26.2	0	0	0	114.6	H553 R554 I555 R564	H553-N557 PolarHBondContact CE1-ND2 3Å; H553-N557 PolarHBondContact NE2-ND2 3.45Å; H553-N557 PolarHBondContact O-N 3.11Å; H553-N557 PolarHBondContact O-ND2 2.87Å; H553-N557 VanDerWaalsContact O-ND2 3.12Å; R554-N557 PolarHBondContact O-N 2.89Å; I555-N557 PolarHBondContact O-N 3.25Å; N557-R564 PolarHBondContact OD1-NH1 2.89Å
558	K	95.3	Very high	94.4	Very high	74 Å²	74	65.5 Å²	65.5	32%	0.322	32%	0.315	S	S	.	.	H	α-helix	trans	-112	-16.9	-177	-70.8	-175.3	170.9	-174.1	0	114.2	D512 L516 R554 I555	D512-K558 VanDerWaalsContact CG-NZ 3.33Å; D512-K558 IonicContact OD1-NZ 3.58Å; D512-K558 PolarHBondContact OD1-NZ 2.94Å; D512-K558 VanDerWaalsContact OD2-CD 3.31Å; D512-K558 WeakPolarHBondContact OD2-CD 3.5Å; D512-K558 VanDerWaalsContact OD2-CE 3.27Å; D512-K558 WeakPolarHBondContact OD2-CE 3.42Å; D512-K558 IonicContact OD2-NZ 2.6Å; D512-K558 PolarHBondContact OD2-NZ 3.02Å; L516-K558 HydrophobicContact CD1-CB 3.54Å; R554-K558 VanDerWaalsContact NH2-NZ 3.12Å; R554-K558 WeakPolarHBondContact O-CB 3.35Å; R554-K558 WeakPolarHBondContact O-CG 3.23Å; R554-K558 PolarHBondContact O-N 2.82Å; R554-K558 VanDerWaalsContact O-N 3.14Å; I555-K558 PolarHBondContact O-N 3.29Å; I555-K558 VanDerWaalsContact O-N 3.07Å
559	M	94.2	Very high	93.9	Very high	7 Å²	7	67.4 Å²	67.4	3%	0.034	33%	0.327	C	S	.	.	S	Bend	trans	-64.4	154.5	177.1	70.9	-176.9	-60.6	0	0	111.1	L516 Y532 I555 L556 F563 R564 I567 V570	L516-M559 HydrophobicContact CD2-CB 3.96Å; Y532-M559 HydrophobicContact CD1-CB 4.41Å; Y532-M559 HydrophobicContact CD1-CE 3.89Å; Y532-M559 HydrophobicContact CD2-CE 4.35Å; Y532-M559 HydrophobicContact CE1-CB 3.98Å; Y532-M559 HydrophobicContact CE1-CE 4.36Å; Y532-M559 HydrophobicContact CG-CE 3.9Å; I555-M559 VanDerWaalsContact O-CB 3.32Å; I555-M559 WeakPolarHBondContact O-CB 3.12Å; I555-M559 WeakPolarHBondContact O-CG 3.43Å; I555-M559 PolarHBondContact O-N 3.13Å; L556-M559 HydrophobicContact CD2-SD 4.31Å; M559-F563 HydrophobicContact CE-CB 3.9Å; M559-R564 HydrophobicContact CE-CB 4.27Å; M559-R564 HydrophobicContact CG-CB 4.02Å; M559-R564 HydrophobicContact SD-CB 3.89Å; M559-R564 HydrophobicContact SD-CG 4.16Å; M559-I567 HydrophobicContact CE-CD1 4.12Å; M559-V570 HydrophobicContact CE-CG2 4.04Å; M559-V570 HydrophobicContact SD-CG2 3.58Å; M559-V570 VanDerWaalsContact SD-CG2 3.58Å
560	P	94.4	Very high	93.8	Very high	45 Å²	45	63.7 Å²	63.7	29%	0.292	31%	0.309	S	S	.	.			trans	-56.9	132.3	177.9	-24.1	33.7	0	0	0	112.1	Y532 S562 F563 R564	Y532-P560 WeakPolarHBondContact OH-CD 3.18Å; P560-S562 PolarHBondContact O-N 3.15Å; P560-S562 VanDerWaalsContact O-N 3.11Å; P560-F563 HydrophobicContact CB-CD2 4.14Å; P560-F563 HydrophobicContact CG-CD2 4.29Å; P560-F563 PolarHBondContact O-N 3.02Å; P560-F563 VanDerWaalsContact O-N 3.15Å; P560-R564 PolarHBondContact O-N 3.33Å; P560-R564 VanDerWaalsContact O-N 3.1Å
561	P	92.7	Very high	93.7	Very high	97 Å²	97	66.6 Å²	66.6	63%	0.63	33%	0.325	S	S	*	.	H	α-helix	trans	-61.2	-20.8	-179	-25.9	34.4	0	0	0	114.9	R565	P561-R565 WeakPolarHBondContact O-CG 3.48Å; P561-R565 PolarHBondContact O-N 3.45Å; P561-R565 PolarHBondContact O-NE 3.38Å
562	S	92.9	Very high	93.7	Very high	53 Å²	53	66.5 Å²	66.5	37%	0.371	33%	0.325	S	S	.	.	H	α-helix	trans	-62.7	-56	171.9	48.5	0	0	0	0	110.8	P560 R564 R565 I566	P560-S562 PolarHBondContact O-N 3.15Å; P560-S562 VanDerWaalsContact O-N 3.11Å; S562-R564 PolarHBondContact O-N 3.05Å; S562-R565 PolarHBondContact O-N 3Å; S562-I566 WeakPolarHBondContact O-CD1 3.39Å; S562-I566 WeakPolarHBondContact O-CG1 3.36Å; S562-I566 PolarHBondContact O-N 3.45Å
563	F	92.1	Very high	93.7	Very high	17 Å²	17	65.3 Å²	65.3	8%	0.075	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-36.7	178.6	-74.2	-74.3	0	0	0	112.5	D525 K528 K529 Y532 M559 P560 R565 I566 I567	D525-F563 HydrophobicContact CB-CE1 4.23Å; D525-F563 HydrophobicContact CB-CZ 4.17Å; K528-F563 HydrophobicContact CB-CD1 4.5Å; K528-F563 HydrophobicContact CB-CE1 3.78Å; K528-F563 HydrophobicContact CB-CZ 3.85Å; K528-F563 HydrophobicContact CD-CE1 4.47Å; K528-F563 HydrophobicContact CD-CE2 4.06Å; K528-F563 HydrophobicContact CD-CZ 3.68Å; K528-F563 HydrophobicContact CG-CZ 4.38Å; K529-F563 HydrophobicContact CG-CD1 4.07Å; K529-F563 HydrophobicContact CG-CE1 4.15Å; Y532-F563 HydrophobicContact CD2-CB 4.15Å; Y532-F563 HydrophobicContact CD2-CD1 4.31Å; Y532-F563 HydrophobicContact CD2-CG 4.1Å; Y532-F563 HydrophobicContact CE2-CB 4.23Å; Y532-F563 HydrophobicContact CE2-CD1 4.5Å; Y532-F563 HydrophobicContact CE2-CD2 4.05Å; Y532-F563 HydrophobicContact CE2-CG 4Å; M559-F563 HydrophobicContact CE-CB 3.9Å; P560-F563 HydrophobicContact CB-CD2 4.14Å; P560-F563 HydrophobicContact CG-CD2 4.29Å; P560-F563 PolarHBondContact O-N 3.02Å; P560-F563 VanDerWaalsContact O-N 3.15Å; F563-R565 PolarHBondContact O-N 3.4Å; F563-I566 PolarHBondContact O-N 3.26Å; F563-I566 VanDerWaalsContact O-N 3.09Å; F563-I567 HydrophobicContact CB-CD1 4.12Å; F563-I567 HydrophobicContact CD1-CD1 4.42Å; F563-I567 WeakPolarHBondContact O-CB 3.39Å; F563-I567 WeakPolarHBondContact O-CG1 3.24Å; F563-I567 PolarHBondContact O-N 2.83Å
564	R	91.3	Very high	93.7	Very high	119 Å²	119	63 Å²	63	45%	0.449	31%	0.311	S	S	.	.	H	α-helix	trans	-58.9	-29.9	177.6	-173.9	174.3	174.1	158.6	-3.8	113.4	L556 N557 M559 P560 S562	L556-R564 VanDerWaalsContact C-NH1 3.33Å; L556-R564 WeakPolarHBondContact O-CD 3.5Å; L556-R564 PolarHBondContact O-NH1 3Å; N557-R564 PolarHBondContact OD1-NH1 2.89Å; M559-R564 HydrophobicContact CE-CB 4.27Å; M559-R564 HydrophobicContact CG-CB 4.02Å; M559-R564 HydrophobicContact SD-CB 3.89Å; M559-R564 HydrophobicContact SD-CG 4.16Å; P560-R564 PolarHBondContact O-N 3.33Å; P560-R564 VanDerWaalsContact O-N 3.1Å; S562-R564 PolarHBondContact O-N 3.05Å
565	R	90.5	Very high	93.6	Very high	208 Å²	208	67.9 Å²	67.9	79%	0.785	33%	0.33	S	S	*	.	H	α-helix	trans	-82.2	-28.1	177.6	-74.1	-176.6	-69.9	161.6	-1.6	113.2	P561 S562 F563	P561-R565 WeakPolarHBondContact O-CG 3.48Å; P561-R565 PolarHBondContact O-N 3.45Å; P561-R565 PolarHBondContact O-NE 3.38Å; S562-R565 PolarHBondContact O-N 3Å; F563-R565 PolarHBondContact O-N 3.4Å
566	I	90.4	Very high	93.2	Very high	106 Å²	106	68.4 Å²	68.4	54%	0.544	33%	0.333	S	S	.	.	H	α-helix	trans	-86.5	-33.6	-175.1	-60	161.6	0	0	0	110.7	K529 S562 F563	K529-I566 HydrophobicContact CD-CG2 3.75Å; K529-I566 HydrophobicContact CG-CG2 4.49Å; S562-I566 WeakPolarHBondContact O-CD1 3.39Å; S562-I566 WeakPolarHBondContact O-CG1 3.36Å; S562-I566 PolarHBondContact O-N 3.45Å; F563-I566 PolarHBondContact O-N 3.26Å; F563-I566 VanDerWaalsContact O-N 3.09Å
567	I	88.9	Confident	93	Very high	21 Å²	21	73.4 Å²	73.4	11%	0.108	35%	0.353	C	S	.	.			trans	-88.5	128.3	-176.2	-62.7	174.1	0	0	0	109.4	K529 Y532 M559 F563 N569	K529-I567 HydrophobicContact CB-CD1 4.5Å; K529-I567 HydrophobicContact CB-CG1 4.42Å; K529-I567 HydrophobicContact CG-CD1 4.45Å; K529-I567 HydrophobicContact CG-CG1 4.18Å; Y532-I567 HydrophobicContact CD2-CD1 4.06Å; Y532-I567 HydrophobicContact CG-CD1 4Å; M559-I567 HydrophobicContact CE-CD1 4.12Å; F563-I567 HydrophobicContact CB-CD1 4.12Å; F563-I567 HydrophobicContact CD1-CD1 4.42Å; F563-I567 WeakPolarHBondContact O-CB 3.39Å; F563-I567 WeakPolarHBondContact O-CG1 3.24Å; F563-I567 PolarHBondContact O-N 2.83Å; I567-N569 WeakPolarHBondContact CG2-O 3.18Å
568	E	84.5	Confident	92.8	Very high	192 Å²	192	75.7 Å²	75.7	90%	0.897	37%	0.365	S	S	*	.	S	Bend	trans	-62	-45.6	179.9	-62.2	178.1	-172.6	0	0	111.9
569	N	88.6	Confident	92.7	Very high	100 Å²	100	73.7 Å²	73.7	54%	0.535	36%	0.357	S	S	.	.			trans	-150.5	148.2	177.5	55.8	20.6	0	0	0	112.1	S533 I567	S533-N569 WeakPolarHBondContact CA-O 3.37Å; I567-N569 WeakPolarHBondContact CG2-O 3.18Å
570	V	94.7	Very high	92.9	Very high	3 Å²	3	75.2 Å²	75.2	2%	0.018	37%	0.365	C	S	.	.			trans	-93.2	115.7	163.5	170.1	0	0	0	0	106.2	I535 Q552 I555 L556 M559 V572	I535-V570 HydrophobicContact CD1-CG1 4.13Å; Q552-V570 HydrophobicContact CG-CG1 4.46Å; Q552-V570 WeakPolarHBondContact CG-O 3.46Å; Q552-V570 PolarHBondContact NE2-O 3.11Å; I555-V570 HydrophobicContact CB-CG1 4.27Å; I555-V570 HydrophobicContact CG2-CG1 3.8Å; L556-V570 HydrophobicContact CD2-CB 3.81Å; L556-V570 HydrophobicContact CD2-CG2 3.61Å; L556-V570 HydrophobicContact CG-CB 4.13Å; L556-V570 HydrophobicContact CG-CG2 4.28Å; M559-V570 HydrophobicContact CE-CG2 4.04Å; M559-V570 HydrophobicContact SD-CG2 3.58Å; M559-V570 VanDerWaalsContact SD-CG2 3.58Å; V570-V572 HydrophobicContact CG1-CG2 4.48Å
571	D	97.2	Very high	93.1	Very high	68 Å²	68	73.5 Å²	73.5	36%	0.364	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.9	175.7	-162.6	24.1	0	0	0	110.8	S533 I535 I573	S533-D571 VanDerWaalsContact O-CB 3.24Å; S533-D571 WeakPolarHBondContact O-CB 3.42Å; S533-D571 PolarHBondContact O-N 3.33Å; S533-D571 VanDerWaalsContact O-N 3.12Å; I535-D571 PolarHBondContact N-O 3.48Å; D571-I573 HydrophobicContact CB-CD1 4.28Å
572	V	98.4	Very high	93.3	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.7	172.9	176.2	0	0	0	0	106.6	I535 V537 Q548 L551 Q552 V570 T574	I535-V572 HydrophobicContact CB-CG2 4.32Å; I535-V572 HydrophobicContact CD1-CG2 4.41Å; I535-V572 CarbonylContact O-C 3.53Å; I535-V572 WeakPolarHBondContact O-CA 3.5Å; V537-V572 HydrophobicContact CG2-CG1 3.91Å; Q548-V572 HydrophobicContact CG-CB 4.21Å; Q548-V572 HydrophobicContact CG-CG1 4.17Å; Q548-V572 WeakPolarHBondContact CG-O 3.39Å; Q548-V572 PolarHBondContact NE2-O 3.5Å; Q548-V572 PolarHBondContact OE1-O 3.44Å; L551-V572 HydrophobicContact CB-CG1 4.44Å; L551-V572 HydrophobicContact CD2-CG1 3.9Å; L551-V572 HydrophobicContact CG-CG1 4.35Å; L551-V572 HydrophobicContact CG-CG2 4.38Å; Q552-V572 HydrophobicContact CB-CB 4.13Å; Q552-V572 HydrophobicContact CB-CG2 3.72Å; Q552-V572 HydrophobicContact CG-CG2 4.19Å; V570-V572 HydrophobicContact CG1-CG2 4.48Å; V572-T574 HydrophobicContact CG1-CG2 4.43Å
573	I	98.4	Very high	93.6	Very high	26 Å²	26	72.1 Å²	72.1	13%	0.133	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	117.8	-177.7	-54.4	94.5	0	0	0	108.2	L276 I535 L536 V537 D571 P576	L276-I573 HydrophobicContact CD1-CD1 4.34Å; I535-I573 PolarHBondContact O-N 3.33Å; L536-I573 HydrophobicContact CD1-CB 4.06Å; L536-I573 HydrophobicContact CD1-CG2 3.99Å; V537-I573 PolarHBondContact N-O 3.19Å; D571-I573 HydrophobicContact CB-CD1 4.28Å; I573-P576 HydrophobicContact CG2-CB 3.92Å; I573-P576 HydrophobicContact CG2-CG 4.47Å
574	T	96.8	Very high	93.9	Very high	26 Å²	26	71.3 Å²	71.3	16%	0.16	33%	0.326	C	S	.	.	S	Bend	trans	-105.3	-34.9	176.4	58.2	0	0	0	0	113	V537 Q548 V572 P576 P581	V537-T574 HydrophobicContact CB-CG2 4.14Å; V537-T574 HydrophobicContact CG2-CG2 4.47Å; Q548-T574 HydrophobicContact CB-CG2 3.67Å; Q548-T574 HydrophobicContact CG-CG2 4.1Å; Q548-T574 VanDerWaalsContact OE1-N 3.1Å; Q548-T574 PolarHBondContact OE1-OG1 2.83Å; V572-T574 HydrophobicContact CG1-CG2 4.43Å; T574-P576 WeakPolarHBondContact O-CD 3.27Å; T574-P581 WeakPolarHBondContact O-CG 3.44Å
575	R	94.6	Very high	94.2	Very high	127 Å²	127	65.8 Å²	65.8	48%	0.479	31%	0.306	S	S	.	.	S	Bend	trans	-123.9	69.8	-179	-62.2	-174.9	117	107	-1.4	110.6	K577 D578 P581	R575-K577 PolarHBondContact O-N 2.96Å; R575-D578 PolarHBondContact O-N 3.48Å; R575-D578 VanDerWaalsContact O-N 3.15Å; R575-P581 HydrophobicContact CG-CG 4.32Å
576	P	90.9	Very high	94.6	Very high	11 Å²	11	55.9 Å²	55.9	7%	0.071	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-59.5	129.7	176.4	28.6	-35.2	0	0	0	109.1	L536 I573 T574 D578 M579 I584	L536-P576 HydrophobicContact CD1-CB 4.38Å; L536-P576 HydrophobicContact CD1-CG 3.85Å; I573-P576 HydrophobicContact CG2-CB 3.92Å; I573-P576 HydrophobicContact CG2-CG 4.47Å; T574-P576 WeakPolarHBondContact O-CD 3.27Å; P576-D578 PolarHBondContact O-N 3.02Å; P576-D578 VanDerWaalsContact O-N 3.16Å; P576-M579 WeakPolarHBondContact O-CB 3.41Å; P576-M579 WeakPolarHBondContact O-CG 3.17Å; P576-M579 PolarHBondContact O-N 2.72Å; P576-M579 VanDerWaalsContact O-N 3.07Å; P576-I584 HydrophobicContact CG-CD1 3.88Å; P576-I584 HydrophobicContact CG-CG1 4.3Å
577	K	90.8	Very high	95	Very high	154 Å²	154	53.3 Å²	53.3	67%	0.67	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	54.9	29.7	-178.2	-53.5	171.4	-177.5	168.8	0	113.9	S274 R575 M579	S274-K577 WeakPolarHBondContact O-CE 3.45Å; S274-K577 PolarHBondContact O-NZ 3.16Å; R575-K577 PolarHBondContact O-N 2.96Å; K577-M579 HydrophobicContact CB-CG 4.05Å; K577-M579 HydrophobicContact CB-SD 3.85Å; K577-M579 HydrophobicContact CD-SD 4.12Å; K577-M579 PolarHBondContact O-N 3.33Å; K577-M579 VanDerWaalsContact O-N 3.15Å
578	D	91.8	Very high	95.5	Very high	135 Å²	135	52.3 Å²	52.3	72%	0.722	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	56.8	23.5	-175.5	-161.7	46.5	0	0	0	114.6	R575 P576	R575-D578 PolarHBondContact O-N 3.48Å; R575-D578 VanDerWaalsContact O-N 3.15Å; P576-D578 PolarHBondContact O-N 3.02Å; P576-D578 VanDerWaalsContact O-N 3.16Å
579	M	93.4	Very high	96.1	Very high	32 Å²	32	43.2 Å²	43.2	16%	0.158	21%	0.205	C	C	.	.			trans	-82.2	151.5	-178.2	-62.9	166.8	65.8	0	0	111.4	P576 K577 P581 I584 K587	P576-M579 WeakPolarHBondContact O-CB 3.41Å; P576-M579 WeakPolarHBondContact O-CG 3.17Å; P576-M579 PolarHBondContact O-N 2.72Å; P576-M579 VanDerWaalsContact O-N 3.07Å; K577-M579 HydrophobicContact CB-CG 4.05Å; K577-M579 HydrophobicContact CB-SD 3.85Å; K577-M579 HydrophobicContact CD-SD 4.12Å; K577-M579 PolarHBondContact O-N 3.33Å; K577-M579 VanDerWaalsContact O-N 3.15Å; M579-P581 WeakPolarHBondContact O-CD 3.38Å; M579-I584 HydrophobicContact CB-CD1 3.42Å; M579-I584 VanDerWaalsContact CB-CD1 3.42Å; M579-I584 HydrophobicContact CE-CD1 4.03Å; M579-I584 HydrophobicContact CG-CD1 4.45Å; M579-I584 HydrophobicContact SD-CD1 4.34Å; M579-K587 HydrophobicContact CE-CB 4.23Å; M579-K587 HydrophobicContact CE-CD 3.06Å; M579-K587 HydrophobicContact CE-CG 4.22Å
580	D	97.4	Very high	96.6	Very high	40 Å²	40	39 Å²	39	21%	0.214	19%	0.185	C	C	.	.			trans	-60.6	120.1	171.9	-174.8	-20.6	0	0	0	110.2	R582 L583 I584	D580-R582 PolarHBondContact O-N 2.88Å; D580-R582 WeakPolarHBondContact OD1-CB 3.36Å; D580-R582 VanDerWaalsContact OD1-CG 3.28Å; D580-R582 WeakPolarHBondContact OD1-CG 3.38Å; D580-R582 IonicContact OD1-CZ 2.75Å; D580-R582 PolarHBondContact OD1-N 3.11Å; D580-R582 IonicContact OD1-NE 3.53Å; D580-R582 PolarHBondContact OD1-NE 3.38Å; D580-R582 IonicContact OD1-NH2 2.88Å; D580-R582 IonicContact OD2-CZ 3.96Å; D580-R582 IonicContact OD2-NE 3.74Å; D580-R582 PolarHBondContact OD2-NE 2.86Å; D580-R582 IonicContact OD2-NH2 2.75Å; D580-R582 PolarHBondContact OD2-NH2 3.03Å; D580-L583 HydrophobicContact CB-CB 4.45Å; D580-L583 HydrophobicContact CB-CD1 3.95Å; D580-L583 HydrophobicContact CB-CG 3.95Å; D580-L583 PolarHBondContact O-N 3.31Å; D580-I584 WeakPolarHBondContact O-CD1 3.14Å
581	P	98.1	Very high	96.8	Very high	9 Å²	9	41.9 Å²	41.9	6%	0.058	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-26	-178.6	-24.6	33.8	0	0	0	113.4	G539 M543 T574 R575 M579 L583	G539-P581 PolarHBondContact N-O 3.12Å; G539-P581 WeakPolarHBondContact O-CB 3.28Å; M543-P581 HydrophobicContact CG-CB 4.49Å; M543-P581 HydrophobicContact CG-CG 4.2Å; M543-P581 HydrophobicContact SD-CG 4.48Å; T574-P581 WeakPolarHBondContact O-CG 3.44Å; R575-P581 HydrophobicContact CG-CG 4.32Å; M579-P581 WeakPolarHBondContact O-CD 3.38Å; P581-L583 VanDerWaalsContact C-N 3.27Å; P581-L583 PolarHBondContact O-N 3.42Å
582	R	98.2	Very high	96.8	Very high	104 Å²	104	38.7 Å²	38.7	39%	0.392	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-24.1	179.5	-61.8	177	-67.6	-172.6	-0.9	112.5	R59 G540 M543 D580	R59-R582 WeakPolarHBondContact CD-O 3.45Å; R59-R582 PolarHBondContact NE-O 3.25Å; R59-R582 VanDerWaalsContact NE-O 3.07Å; R59-R582 VanDerWaalsContact NH1-CB 3.29Å; R59-R582 PolarHBondContact NH1-O 2.78Å; R59-R582 PolarHBondContact NH2-O 2.82Å; G540-R582 VanDerWaalsContact CA-CG 3.49Å; M543-R582 HydrophobicContact SD-CG 3.58Å; M543-R582 VanDerWaalsContact SD-CG 3.58Å; D580-R582 PolarHBondContact O-N 2.88Å; D580-R582 WeakPolarHBondContact OD1-CB 3.36Å; D580-R582 VanDerWaalsContact OD1-CG 3.28Å; D580-R582 WeakPolarHBondContact OD1-CG 3.38Å; D580-R582 IonicContact OD1-CZ 2.75Å; D580-R582 PolarHBondContact OD1-N 3.11Å; D580-R582 IonicContact OD1-NE 3.53Å; D580-R582 PolarHBondContact OD1-NE 3.38Å; D580-R582 IonicContact OD1-NH2 2.88Å; D580-R582 IonicContact OD2-CZ 3.96Å; D580-R582 IonicContact OD2-NE 3.74Å; D580-R582 PolarHBondContact OD2-NE 2.86Å; D580-R582 IonicContact OD2-NH2 2.75Å; D580-R582 PolarHBondContact OD2-NH2 3.03Å
583	L	98.4	Very high	96.6	Very high	16 Å²	16	39.5 Å²	39.5	8%	0.084	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-11.7	-171.5	-54.8	-177.2	0	0	0	113.8	L67 P68 D580 P581 A585 W586 K587	L67-L583 HydrophobicContact CD2-CD1 3.62Å; P68-L583 HydrophobicContact CG-CD2 3.74Å; D580-L583 HydrophobicContact CB-CB 4.45Å; D580-L583 HydrophobicContact CB-CD1 3.95Å; D580-L583 HydrophobicContact CB-CG 3.95Å; D580-L583 PolarHBondContact O-N 3.31Å; P581-L583 VanDerWaalsContact C-N 3.27Å; P581-L583 PolarHBondContact O-N 3.42Å; L583-A585 PolarHBondContact O-N 2.9Å; L583-W586 PolarHBondContact O-N 3.4Å; L583-K587 PolarHBondContact O-N 2.72Å
584	I	98.6	Very high	96.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-55.5	-51.4	-171.6	-53.6	-56	0	0	0	112	V538 P576 M579 D580 W586 K587 G588	V538-I584 HydrophobicContact CG1-CB 3.98Å; V538-I584 HydrophobicContact CG1-CG1 4.13Å; V538-I584 HydrophobicContact CG1-CG2 4.09Å; P576-I584 HydrophobicContact CG-CD1 3.88Å; P576-I584 HydrophobicContact CG-CG1 4.3Å; M579-I584 HydrophobicContact CB-CD1 3.42Å; M579-I584 VanDerWaalsContact CB-CD1 3.42Å; M579-I584 HydrophobicContact CE-CD1 4.03Å; M579-I584 HydrophobicContact CG-CD1 4.45Å; M579-I584 HydrophobicContact SD-CD1 4.34Å; D580-I584 WeakPolarHBondContact O-CD1 3.14Å; I584-W586 PolarHBondContact O-N 3.04Å; I584-K587 PolarHBondContact O-N 3.43Å; I584-G588 PolarHBondContact O-N 2.72Å
585	A	98.6	Very high	96.3	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-42.3	-179.5	0	0	0	0	0	112	L235 C269 A270 L583 K587 G588 G589	L235-A585 HydrophobicContact CD2-CB 3.91Å; L235-A585 WeakPolarHBondContact CD2-O 3.31Å; C269-A585 WeakPolarHBondContact CB-O 3.44Å; A270-A585 HydrophobicContact CB-CB 4.33Å; L583-A585 PolarHBondContact O-N 2.9Å; A585-K587 PolarHBondContact O-N 3.31Å; A585-G588 WeakPolarHBondContact O-CA 3.3Å; A585-G588 PolarHBondContact O-N 3.49Å; A585-G588 VanDerWaalsContact O-N 3.13Å; A585-G589 PolarHBondContact O-N 3.06Å
586	W	98.8	Very high	96.3	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-43.6	177.2	179.3	90	0	0	0	111.4	V50 H52 R59 R62 D65 P68 L583 I584 G588 G589 A590	V50-W586 HydrophobicContact CB-CZ2 4.21Å; V50-W586 HydrophobicContact CG1-CG 4.28Å; V50-W586 PolarHBondContact O-NE1 2.89Å; H52-W586 HydrophobicContact CB-CB 4.15Å; H52-W586 HydrophobicContact CB-CG 4.45Å; R59-W586 HydrophobicContact CB-CB 4.44Å; R59-W586 HydrophobicContact CB-CG 4.29Å; R62-W586 WeakPolarHBondContact O-CH2 3.38Å; D65-W586 HydrophobicContact CB-CH2 4.1Å; D65-W586 WeakPolarHBondContact O-CH2 3.28Å; P68-W586 HydrophobicContact CB-CD2 3.6Å; P68-W586 HydrophobicContact CB-CE3 3.95Å; P68-W586 HydrophobicContact CB-CG 4.09Å; P68-W586 HydrophobicContact CB-CH2 4.15Å; P68-W586 HydrophobicContact CB-CZ2 3.82Å; P68-W586 HydrophobicContact CB-CZ3 4.21Å; P68-W586 HydrophobicContact CG-CD2 3.62Å; P68-W586 HydrophobicContact CG-CE3 3.66Å; P68-W586 HydrophobicContact CG-CG 3.99Å; P68-W586 HydrophobicContact CG-CZ3 4.17Å; L583-W586 PolarHBondContact O-N 3.4Å; I584-W586 PolarHBondContact O-N 3.04Å; W586-G588 VanDerWaalsContact C-N 3.27Å; W586-G588 PolarHBondContact O-N 3.23Å; W586-G589 WeakPolarHBondContact O-CA 3.42Å; W586-G589 PolarHBondContact O-N 3.39Å; W586-A590 PolarHBondContact O-N 3.23Å
587	K	98.6	Very high	96.4	Very high	52 Å²	52	47.6 Å²	47.6	23%	0.226	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-34.8	174.8	-74.9	-172	166.9	-153.3	0	112.4	T66 M579 L583 I584 A585 G589 A590 V591	T66-K587 WeakPolarHBondContact O-CE 3.27Å; T66-K587 PolarHBondContact O-NZ 3.3Å; T66-K587 VanDerWaalsContact O-NZ 3.11Å; M579-K587 HydrophobicContact CE-CB 4.23Å; M579-K587 HydrophobicContact CE-CD 3.06Å; M579-K587 HydrophobicContact CE-CG 4.22Å; L583-K587 PolarHBondContact O-N 2.72Å; I584-K587 PolarHBondContact O-N 3.43Å; A585-K587 PolarHBondContact O-N 3.31Å; K587-G589 VanDerWaalsContact C-N 3.33Å; K587-A590 WeakPolarHBondContact O-CB 3.33Å; K587-A590 PolarHBondContact O-N 3.01Å; K587-V591 WeakPolarHBondContact O-CG2 3.39Å; K587-V591 PolarHBondContact O-N 2.72Å
588	G	98.5	Very high	96.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-34.2	170.8	0	0	0	0	0	114.3	C269 G273 I584 A585 W586 A590 V591 L592	C269-G588 VanDerWaalsContact O-CA 3.24Å; C269-G588 WeakPolarHBondContact O-CA 3.44Å; G273-G588 VanDerWaalsContact N-CA 3.32Å; I584-G588 PolarHBondContact O-N 2.72Å; A585-G588 WeakPolarHBondContact O-CA 3.3Å; A585-G588 PolarHBondContact O-N 3.49Å; A585-G588 VanDerWaalsContact O-N 3.13Å; W586-G588 VanDerWaalsContact C-N 3.27Å; W586-G588 PolarHBondContact O-N 3.23Å; G588-A590 VanDerWaalsContact C-N 3.33Å; G588-V591 PolarHBondContact O-N 2.81Å; G588-L592 WeakPolarHBondContact O-CB 3.36Å; G588-L592 PolarHBondContact O-N 3.48Å
589	G	98.5	Very high	96.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-38.3	168.6	0	0	0	0	0	112.6	I233 A585 W586 K587 L592 A593	I233-G589 VanDerWaalsContact CD1-O 3.27Å; I233-G589 WeakPolarHBondContact CD1-O 3.36Å; A585-G589 PolarHBondContact O-N 3.06Å; W586-G589 WeakPolarHBondContact O-CA 3.42Å; W586-G589 PolarHBondContact O-N 3.39Å; K587-G589 VanDerWaalsContact C-N 3.33Å; G589-L592 WeakPolarHBondContact O-CB 3.49Å; G589-L592 PolarHBondContact O-N 3Å; G589-A593 PolarHBondContact O-N 3Å
590	A	98.3	Very high	96.9	Very high	12 Å²	12	44.2 Å²	44.2	10%	0.099	23%	0.234	C	C	.	.	H	α-helix	trans	-66.9	-40.7	172.7	0	0	0	0	0	112.3	V50 A63 W586 K587 G588 L592 A593	V50-A590 HydrophobicContact CG2-CB 4.21Å; A63-A590 HydrophobicContact CB-CB 4.1Å; W586-A590 PolarHBondContact O-N 3.23Å; K587-A590 WeakPolarHBondContact O-CB 3.33Å; K587-A590 PolarHBondContact O-N 3.01Å; G588-A590 VanDerWaalsContact C-N 3.33Å; A590-L592 VanDerWaalsContact C-N 3.34Å; A590-L592 PolarHBondContact O-N 3.22Å; A590-A593 WeakPolarHBondContact O-CB 3.44Å; A590-A593 PolarHBondContact O-N 2.75Å
591	V	97.9	Very high	96.9	Very high	64 Å²	64	43.6 Å²	43.6	39%	0.388	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-41.2	173.9	171	0	0	0	0	111.3	K587 G588 A593 C594 L595	K587-V591 WeakPolarHBondContact O-CG2 3.39Å; K587-V591 PolarHBondContact O-N 2.72Å; G588-V591 PolarHBondContact O-N 2.81Å; V591-A593 PolarHBondContact O-N 3.07Å; V591-C594 WeakPolarHBondContact O-CB 3.47Å; V591-C594 PolarHBondContact O-N 3.44Å; V591-L595 HydrophobicContact CG1-CD2 4.43Å; V591-L595 PolarHBondContact O-N 3.4Å
592	L	97.6	Very high	96.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-54	-40.3	175.6	176.1	66.7	0	0	0	111.4	I233 V262 H264 Y272 G588 G589 A590 C594 L595 T598	I233-L592 HydrophobicContact CD1-CB 4.39Å; I233-L592 HydrophobicContact CD1-CD2 4.33Å; I233-L592 HydrophobicContact CD1-CG 4.32Å; I233-L592 HydrophobicContact CG2-CD2 3.97Å; V262-L592 HydrophobicContact CG1-CD2 3.92Å; H264-L592 HydrophobicContact CB-CD2 3.88Å; Y272-L592 HydrophobicContact CD2-CB 4.29Å; Y272-L592 HydrophobicContact CD2-CD1 4.5Å; Y272-L592 HydrophobicContact CE2-CD1 3.94Å; G588-L592 WeakPolarHBondContact O-CB 3.36Å; G588-L592 PolarHBondContact O-N 3.48Å; G589-L592 WeakPolarHBondContact O-CB 3.49Å; G589-L592 PolarHBondContact O-N 3Å; A590-L592 VanDerWaalsContact C-N 3.34Å; A590-L592 PolarHBondContact O-N 3.22Å; L592-C594 PolarHBondContact O-N 3.42Å; L592-L595 HydrophobicContact CD1-CD1 4.15Å; L592-L595 PolarHBondContact O-N 2.89Å; L592-L595 VanDerWaalsContact O-N 3.09Å; L592-T598 WeakPolarHBondContact CD1-OG1 3.39Å; L592-T598 HydrophobicContact CG-CG2 4.37Å; L592-T598 WeakPolarHBondContact O-CB 3.48Å; L592-T598 PolarHBondContact O-OG1 3.24Å
593	A	95.5	Very high	97	Very high	17 Å²	17	38.8 Å²	38.8	14%	0.14	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.1	177.7	0	0	0	0	0	114.1	I48 A63 I233 G589 A590 V591	I48-A593 HydrophobicContact CD1-CB 3.9Å; I48-A593 HydrophobicContact CG2-CB 4.03Å; A63-A593 HydrophobicContact CB-CB 3.84Å; I233-A593 HydrophobicContact CD1-CB 3.52Å; G589-A593 PolarHBondContact O-N 3Å; A590-A593 WeakPolarHBondContact O-CB 3.44Å; A590-A593 PolarHBondContact O-N 2.75Å; V591-A593 PolarHBondContact O-N 3.07Å
594	C	94.4	Very high	97	Very high	92 Å²	92	42.3 Å²	42.3	62%	0.622	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-5.6	-176.7	-58.7	0	0	0	0	113.4	V591 L592	V591-C594 WeakPolarHBondContact O-CB 3.47Å; V591-C594 PolarHBondContact O-N 3.44Å; L592-C594 PolarHBondContact O-N 3.42Å
595	L	94.5	Very high	96.9	Very high	58 Å²	58	45.5 Å²	45.5	30%	0.304	24%	0.24	S	C	.	.			trans	-75.6	140	178.8	-58.3	-176.6	0	0	0	110.8	Y272 V591 L592 T597 T598	Y272-L595 HydrophobicContact CE1-CD1 4.37Å; Y272-L595 HydrophobicContact CE2-CD1 4.4Å; V591-L595 HydrophobicContact CG1-CD2 4.43Å; V591-L595 PolarHBondContact O-N 3.4Å; L592-L595 HydrophobicContact CD1-CD1 4.15Å; L592-L595 PolarHBondContact O-N 2.89Å; L592-L595 VanDerWaalsContact O-N 3.09Å; L595-T597 VanDerWaalsContact C-N 3.32Å; L595-T597 PolarHBondContact O-N 2.82Å; L595-T598 VanDerWaalsContact O-CB 3.26Å; L595-T598 WeakPolarHBondContact O-CB 3.49Å; L595-T598 PolarHBondContact O-N 3.14Å; L595-T598 VanDerWaalsContact O-N 3.1Å; L595-T598 PolarHBondContact O-OG1 3.35Å
596	D	94.1	Very high	96.9	Very high	118 Å²	118	54.8 Å²	54.8	63%	0.631	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-59.7	-44	179.8	-167.2	48.9	0	0	0	111.7	T598 Q599	D596-T598 PolarHBondContact O-N 3.24Å; D596-Q599 WeakPolarHBondContact O-CB 3.34Å; D596-Q599 VanDerWaalsContact O-CG 3.32Å; D596-Q599 WeakPolarHBondContact O-CG 2.97Å; D596-Q599 PolarHBondContact O-N 2.73Å; D596-Q599 VanDerWaalsContact O-N 3.14Å; D596-Q599 PolarHBondContact OD1-NE2 2.92Å
597	T	93.5	Very high	96.9	Very high	92 Å²	92	57.5 Å²	57.5	56%	0.564	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-64.6	-6.1	177.8	57.6	0	0	0	0	114.5	L595 Q599 E600 L601	L595-T597 VanDerWaalsContact C-N 3.32Å; L595-T597 PolarHBondContact O-N 2.82Å; T597-Q599 VanDerWaalsContact C-N 3.34Å; T597-E600 WeakPolarHBondContact CA-OE2 3.26Å; T597-L601 WeakPolarHBondContact O-CG 3.45Å
598	T	95.8	Very high	96.8	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.012	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-82	-18.1	177.4	-57.7	0	0	0	0	111.6	V262 L592 L595 D596 E600 L601 W602	V262-T598 HydrophobicContact CG2-CG2 4.13Å; L592-T598 WeakPolarHBondContact CD1-OG1 3.39Å; L592-T598 HydrophobicContact CG-CG2 4.37Å; L592-T598 WeakPolarHBondContact O-CB 3.48Å; L592-T598 PolarHBondContact O-OG1 3.24Å; L595-T598 VanDerWaalsContact O-CB 3.26Å; L595-T598 WeakPolarHBondContact O-CB 3.49Å; L595-T598 PolarHBondContact O-N 3.14Å; L595-T598 VanDerWaalsContact O-N 3.1Å; L595-T598 PolarHBondContact O-OG1 3.35Å; D596-T598 PolarHBondContact O-N 3.24Å; T598-E600 PolarHBondContact O-N 3.14Å; T598-L601 PolarHBondContact O-N 2.93Å; T598-L601 VanDerWaalsContact O-N 3.11Å; T598-W602 HydrophobicContact CG2-CZ2 4.28Å; T598-W602 PolarHBondContact O-NE1 2.7Å
599	Q	93.9	Very high	96.7	Very high	131 Å²	131	63 Å²	63	61%	0.612	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.2	178	-65.8	-179.1	48.1	0	0	111.6	D596 T597	D596-Q599 WeakPolarHBondContact O-CB 3.34Å; D596-Q599 VanDerWaalsContact O-CG 3.32Å; D596-Q599 WeakPolarHBondContact O-CG 2.97Å; D596-Q599 PolarHBondContact O-N 2.73Å; D596-Q599 VanDerWaalsContact O-N 3.14Å; D596-Q599 PolarHBondContact OD1-NE2 2.92Å; T597-Q599 VanDerWaalsContact C-N 3.34Å
600	E	95.8	Very high	96.6	Very high	116 Å²	116	71.7 Å²	71.7	54%	0.542	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-14.1	-179.6	-58.5	87	166	0	0	113.8	T597 T598 R619	T597-E600 WeakPolarHBondContact CA-OE2 3.26Å; T598-E600 PolarHBondContact O-N 3.14Å; E600-R619 WeakPolarHBondContact O-CD 3.28Å
601	L	97.8	Very high	96.5	Very high	27 Å²	27	75 Å²	75	14%	0.141	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-16.8	-172.3	-58.3	179.8	0	0	0	113.8	V262 T597 T598 I603 R619 A621	V262-L601 HydrophobicContact CG1-CB 4.22Å; V262-L601 HydrophobicContact CG1-CD1 4.38Å; V262-L601 HydrophobicContact CG2-CB 3.78Å; T597-L601 WeakPolarHBondContact O-CG 3.45Å; T598-L601 PolarHBondContact O-N 2.93Å; T598-L601 VanDerWaalsContact O-N 3.11Å; L601-I603 PolarHBondContact O-N 3.01Å; L601-R619 WeakPolarHBondContact CD2-O 3.46Å; L601-A621 HydrophobicContact CD1-CB 3.84Å; L601-A621 HydrophobicContact CD2-CB 3.99Å
602	W	98.4	Very high	96.3	Very high	9 Å²	9	72.9 Å²	72.9	3%	0.034	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-64.5	124.6	-176	-67.8	102.2	0	0	0	111.6	I48 R231 C232 I233 V262 T598 Y604 R619	I48-W602 HydrophobicContact CD1-CH2 4.19Å; I48-W602 HydrophobicContact CD1-CZ2 3.87Å; I48-W602 HydrophobicContact CG1-CH2 4.23Å; I48-W602 HydrophobicContact CG1-CZ2 4.36Å; I48-W602 HydrophobicContact CG2-CH2 3.96Å; R231-W602 HydrophobicContact CB-CE3 3.89Å; R231-W602 HydrophobicContact CB-CH2 3.7Å; R231-W602 HydrophobicContact CB-CZ2 4.47Å; R231-W602 HydrophobicContact CB-CZ3 3.39Å; R231-W602 HydrophobicContact CG-CE3 4.21Å; R231-W602 HydrophobicContact CG-CZ3 4.2Å; C232-W602 WeakPolarHBondContact O-CZ3 3.47Å; I233-W602 HydrophobicContact CD1-CH2 4.37Å; I233-W602 HydrophobicContact CG1-CH2 3.83Å; I233-W602 HydrophobicContact CG1-CZ3 4.43Å; V262-W602 HydrophobicContact CB-CE3 4.36Å; V262-W602 HydrophobicContact CB-CZ3 4.22Å; V262-W602 HydrophobicContact CG2-CD2 3.59Å; V262-W602 HydrophobicContact CG2-CE3 3.55Å; V262-W602 HydrophobicContact CG2-CG 4.07Å; V262-W602 HydrophobicContact CG2-CH2 4.18Å; V262-W602 HydrophobicContact CG2-CZ2 4.24Å; V262-W602 HydrophobicContact CG2-CZ3 3.81Å; T598-W602 HydrophobicContact CG2-CZ2 4.28Å; T598-W602 PolarHBondContact O-NE1 2.7Å; W602-Y604 HydrophobicContact CB-CD2 4.37Å; W602-Y604 HydrophobicContact CB-CE1 4.35Å; W602-Y604 HydrophobicContact CB-CE2 3.65Å; W602-R619 VanDerWaalsContact O-CZ 3.27Å; W602-R619 PolarHBondContact O-NH1 3.36Å
603	I	98.8	Very high	96.1	Very high	3 Å²	3	73.8 Å²	73.8	2%	0.015	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.2	168.3	-59	172.3	0	0	0	108	L253 G260 I261 L601 W608 M615 L616 R619	L253-I603 HydrophobicContact CD1-CG2 4.31Å; G260-I603 CarbonylContact C-O 3.45Å; G260-I603 WeakPolarHBondContact CA-O 3.28Å; I261-I603 HydrophobicContact CG2-CB 4.12Å; I261-I603 PolarHBondContact N-O 3.33Å; I261-I603 PolarHBondContact O-N 2.86Å; L601-I603 PolarHBondContact O-N 3.01Å; I603-W608 HydrophobicContact CG2-CB 4.27Å; I603-W608 HydrophobicContact CG2-CE3 4.17Å; I603-M615 HydrophobicContact CD1-CB 3.85Å; I603-M615 HydrophobicContact CG1-CB 4.05Å; I603-M615 HydrophobicContact CG2-CB 3.72Å; I603-M615 HydrophobicContact CG2-CG 4.11Å; I603-L616 HydrophobicContact CD1-CD2 3.84Å; I603-L616 HydrophobicContact CD1-CG 4.25Å; I603-R619 HydrophobicContact CG1-CB 4.37Å
604	Y	98.7	Very high	95.9	Very high	91 Å²	91	77.5 Å²	77.5	36%	0.357	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	157.7	-178.6	-62.7	-83	0	0	0	112.7	S259 W602 R606 E607 W608	S259-Y604 WeakPolarHBondContact O-CA 3.28Å; S259-Y604 WeakPolarHBondContact O-CD1 3.26Å; W602-Y604 HydrophobicContact CB-CD2 4.37Å; W602-Y604 HydrophobicContact CB-CE1 4.35Å; W602-Y604 HydrophobicContact CB-CE2 3.65Å; Y604-R606 PolarHBondContact O-N 3.13Å; Y604-E607 WeakPolarHBondContact CB-OE2 3.39Å; Y604-E607 VanDerWaalsContact CD2-OE2 3.32Å; Y604-E607 WeakPolarHBondContact CD2-OE2 3.3Å; Y604-E607 PolarHBondContact N-OE2 2.97Å; Y604-E607 PolarHBondContact O-N 3.16Å; Y604-E607 VanDerWaalsContact O-N 3.08Å; Y604-W608 PolarHBondContact O-N 2.82Å
605	Q	97.9	Very high	96	Very high	66 Å²	66	73.5 Å²	73.5	31%	0.308	34%	0.337	S	S	.	.	H	α-helix	trans	-48.8	-50.6	-177.2	-77.3	-170.7	7.8	0	0	114	L253 M254 G257 F258 S259 E607 W608 Q609	L253-Q605 HydrophobicContact CB-CG 4.17Å; L253-Q605 HydrophobicContact CD2-CG 4.17Å; L253-Q605 PolarHBondContact O-NE2 2.85Å; L253-Q605 VanDerWaalsContact O-NE2 3.13Å; M254-Q605 HydrophobicContact CE-CB 3.74Å; M254-Q605 HydrophobicContact CE-CG 3.83Å; M254-Q605 WeakPolarHBondContact CE-O 3.27Å; G257-Q605 PolarHBondContact O-NE2 2.87Å; G257-Q605 VanDerWaalsContact O-NE2 3.11Å; F258-Q605 WeakPolarHBondContact O-CG 3.3Å; F258-Q605 PolarHBondContact O-NE2 3.48Å; S259-Q605 PolarHBondContact O-N 2.92Å; Q605-E607 VanDerWaalsContact C-N 3.26Å; Q605-E607 PolarHBondContact O-N 3.46Å; Q605-W608 PolarHBondContact O-N 2.76Å; Q605-Q609 WeakPolarHBondContact O-CB 3.43Å; Q605-Q609 PolarHBondContact O-N 2.99Å
606	R	97.8	Very high	96	Very high	199 Å²	199	70.8 Å²	70.8	75%	0.751	32%	0.323	S	S	*	.	H	α-helix	trans	-64.6	-33.5	-175.9	-174.1	178.1	173.1	-175.4	-1.8	112.2	Y604 R610	Y604-R606 PolarHBondContact O-N 3.13Å; R606-R610 VanDerWaalsContact O-CB 3.3Å; R606-R610 WeakPolarHBondContact O-CB 3.26Å; R606-R610 PolarHBondContact O-N 3.22Å; R606-R610 VanDerWaalsContact O-N 3.15Å
607	E	98.1	Very high	95.8	Very high	58 Å²	58	68.6 Å²	68.6	27%	0.271	31%	0.306	S	S	.	.	H	α-helix	trans	-74	-42.1	178.7	-57.5	169.3	121.7	0	0	110.2	Y604 Q605 R610 F611 M615 R619	Y604-E607 WeakPolarHBondContact CB-OE2 3.39Å; Y604-E607 VanDerWaalsContact CD2-OE2 3.32Å; Y604-E607 WeakPolarHBondContact CD2-OE2 3.3Å; Y604-E607 PolarHBondContact N-OE2 2.97Å; Y604-E607 PolarHBondContact O-N 3.16Å; Y604-E607 VanDerWaalsContact O-N 3.08Å; Q605-E607 VanDerWaalsContact C-N 3.26Å; Q605-E607 PolarHBondContact O-N 3.46Å; E607-R610 PolarHBondContact O-N 3.48Å; E607-F611 WeakPolarHBondContact O-CB 3.37Å; E607-F611 WeakPolarHBondContact O-CD2 3.34Å; E607-F611 PolarHBondContact O-N 2.88Å; E607-M615 HydrophobicContact CB-CG 4.37Å; E607-M615 HydrophobicContact CB-SD 3.95Å; E607-R619 VanDerWaalsContact CD-NH1 3.33Å; E607-R619 IonicContact OE1-CZ 2.71Å; E607-R619 IonicContact OE1-NH1 3.29Å; E607-R619 PolarHBondContact OE1-NH1 2.95Å; E607-R619 IonicContact OE1-NH2 2.99Å; E607-R619 PolarHBondContact OE1-NH2 3.11Å; E607-R619 VanDerWaalsContact OE1-NH2 3.09Å; E607-R619 IonicContact OE2-CZ 2.68Å; E607-R619 VanDerWaalsContact OE2-CZ 3.29Å; E607-R619 IonicContact OE2-NH1 2.85Å; E607-R619 PolarHBondContact OE2-NH1 2.69Å; E607-R619 IonicContact OE2-NH2 2.83Å; E607-R619 PolarHBondContact OE2-NH2 2.84Å
608	W	97.9	Very high	95.7	Very high	13 Å²	13	69.2 Å²	69.2	5%	0.049	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-45.1	173.2	-174.7	-101.5	0	0	0	112.2	K246 V249 N250 L253 I603 Y604 Q605 R610 G612 M615 L616	K246-W608 HydrophobicContact CG-CH2 4.16Å; K246-W608 HydrophobicContact CG-CZ2 4.1Å; V249-W608 HydrophobicContact CB-CH2 4Å; V249-W608 HydrophobicContact CB-CZ2 4.04Å; V249-W608 HydrophobicContact CB-CZ3 4.4Å; V249-W608 HydrophobicContact CG1-CD2 3.72Å; V249-W608 HydrophobicContact CG1-CE3 3.64Å; V249-W608 HydrophobicContact CG1-CH2 3.63Å; V249-W608 HydrophobicContact CG1-CZ2 3.71Å; V249-W608 HydrophobicContact CG1-CZ3 3.6Å; N250-W608 HydrophobicContact CB-CZ2 4.16Å; N250-W608 PolarHBondContact OD1-NE1 2.98Å; L253-W608 HydrophobicContact CD1-CB 3.46Å; L253-W608 VanDerWaalsContact CD1-CB 3.46Å; L253-W608 HydrophobicContact CD1-CD2 4.23Å; L253-W608 HydrophobicContact CD1-CG 3.65Å; I603-W608 HydrophobicContact CG2-CB 4.27Å; I603-W608 HydrophobicContact CG2-CE3 4.17Å; Y604-W608 PolarHBondContact O-N 2.82Å; Q605-W608 PolarHBondContact O-N 2.76Å; W608-R610 PolarHBondContact O-N 3.48Å; W608-G612 VanDerWaalsContact CE3-O 3.22Å; W608-G612 WeakPolarHBondContact CZ3-O 3.45Å; W608-G612 WeakPolarHBondContact O-CA 3.24Å; W608-G612 PolarHBondContact O-N 3.03Å; W608-M615 HydrophobicContact CE3-CB 4.4Å; W608-L616 HydrophobicContact CH2-CD1 3.79Å; W608-L616 HydrophobicContact CH2-CG 4.45Å; W608-L616 HydrophobicContact CZ3-CD1 3.84Å; W608-L616 HydrophobicContact CZ3-CG 3.98Å
609	Q	96.6	Very high	95.7	Very high	154 Å²	154	71.5 Å²	71.5	72%	0.72	31%	0.311	S	S	*	.	H	α-helix	trans	-61.2	-32.8	177.1	-170.9	179.6	9.5	0	0	112.2	M254 Q605	M254-Q609 HydrophobicContact SD-CB 4.16Å; Q605-Q609 WeakPolarHBondContact O-CB 3.43Å; Q605-Q609 PolarHBondContact O-N 2.99Å
610	R	96.3	Very high	95.8	Very high	183 Å²	183	66.4 Å²	66.4	69%	0.691	29%	0.291	S	S	*	.	H	α-helix	trans	-86.1	-39.6	-177.8	-171.7	173.8	-176.4	-175.8	3.2	113.7	R606 E607 W608	R606-R610 VanDerWaalsContact O-CB 3.3Å; R606-R610 WeakPolarHBondContact O-CB 3.26Å; R606-R610 PolarHBondContact O-N 3.22Å; R606-R610 VanDerWaalsContact O-N 3.15Å; E607-R610 PolarHBondContact O-N 3.48Å; W608-R610 PolarHBondContact O-N 3.48Å
611	F	94.7	Very high	95.6	Very high	81 Å²	81	63 Å²	63	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-122	-13.9	-168.3	-55.9	-65.5	0	0	0	114	E607 V613 R614 M615	E607-F611 WeakPolarHBondContact O-CB 3.37Å; E607-F611 WeakPolarHBondContact O-CD2 3.34Å; E607-F611 PolarHBondContact O-N 2.88Å; F611-V613 PolarHBondContact O-N 3.42Å; F611-R614 HydrophobicContact CB-CB 4.25Å; F611-R614 VanDerWaalsContact O-CB 3.25Å; F611-R614 WeakPolarHBondContact O-CB 3.48Å; F611-R614 PolarHBondContact O-N 3.46Å; F611-M615 HydrophobicContact CB-CE 3.7Å; F611-M615 HydrophobicContact CB-CG 4.04Å; F611-M615 HydrophobicContact CB-SD 4.06Å; F611-M615 HydrophobicContact CD2-CE 4.01Å; F611-M615 HydrophobicContact CD2-SD 3.94Å; F611-M615 HydrophobicContact CG-CE 4.03Å; F611-M615 HydrophobicContact CG-SD 4.4Å
612	G	94.4	Very high	95.5	Very high	19 Å²	19	62.5 Å²	62.5	20%	0.196	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	-131.3	177.9	0	0	0	0	0	113	W608 R614 M615	W608-G612 VanDerWaalsContact CE3-O 3.22Å; W608-G612 WeakPolarHBondContact CZ3-O 3.45Å; W608-G612 WeakPolarHBondContact O-CA 3.24Å; W608-G612 PolarHBondContact O-N 3.03Å; G612-R614 PolarHBondContact O-N 3.28Å; G612-M615 WeakPolarHBondContact O-CB 3.33Å; G612-M615 WeakPolarHBondContact O-CG 3.01Å; G612-M615 PolarHBondContact O-N 3.37Å
613	V	92.6	Very high	95.1	Very high	20 Å²	20	67.1 Å²	67.1	12%	0.121	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-26.7	-176.1	-168.9	0	0	0	0	113.4	K246 F611 M615 L616 R617 W624	K246-V613 HydrophobicContact CB-CG2 4.43Å; K246-V613 HydrophobicContact CD-CG2 3.23Å; K246-V613 HydrophobicContact CG-CG2 3.69Å; F611-V613 PolarHBondContact O-N 3.42Å; V613-M615 PolarHBondContact O-N 2.75Å; V613-M615 VanDerWaalsContact O-N 3.11Å; V613-L616 WeakPolarHBondContact O-CB 3.39Å; V613-L616 PolarHBondContact O-N 3.28Å; V613-R617 PolarHBondContact O-N 3.33Å; V613-W624 HydrophobicContact CG1-CZ2 4.22Å
614	R	91.8	Very high	94.7	Very high	95 Å²	95	68.6 Å²	68.6	36%	0.358	31%	0.314	S	S	.	.	H	α-helix	trans	-53.9	-33.4	176	-175.5	178.5	170.5	178.2	-3	112.5	F611 G612 L616 R617 E618	F611-R614 HydrophobicContact CB-CB 4.25Å; F611-R614 VanDerWaalsContact O-CB 3.25Å; F611-R614 WeakPolarHBondContact O-CB 3.48Å; F611-R614 PolarHBondContact O-N 3.46Å; G612-R614 PolarHBondContact O-N 3.28Å; R614-L616 VanDerWaalsContact C-N 3.27Å; R614-L616 PolarHBondContact O-N 2.89Å; R614-R617 VanDerWaalsContact CA-CZ 3.49Å; R614-R617 PolarHBondContact O-N 2.71Å; R614-R617 VanDerWaalsContact O-N 3.17Å; R614-E618 HydrophobicContact CG-CG 4.41Å; R614-E618 IonicContact CZ-OE1 3.2Å; R614-E618 IonicContact NE-OE1 2.7Å; R614-E618 PolarHBondContact NE-OE1 2.99Å; R614-E618 IonicContact NE-OE2 3.84Å; R614-E618 IonicContact NH2-OE1 2.81Å; R614-E618 PolarHBondContact NH2-OE1 2.59Å; R614-E618 PolarHBondContact O-N 2.72Å
615	M	96.3	Very high	94.5	Very high	8 Å²	8	67.5 Å²	67.5	4%	0.039	31%	0.312	C	S	.	.	H	α-helix	trans	-64.9	-31.5	177.1	-59	-63.3	82.3	0	0	112.9	I603 E607 W608 F611 G612 V613 E618 R619	I603-M615 HydrophobicContact CD1-CB 3.85Å; I603-M615 HydrophobicContact CG1-CB 4.05Å; I603-M615 HydrophobicContact CG2-CB 3.72Å; I603-M615 HydrophobicContact CG2-CG 4.11Å; E607-M615 HydrophobicContact CB-CG 4.37Å; E607-M615 HydrophobicContact CB-SD 3.95Å; W608-M615 HydrophobicContact CE3-CB 4.4Å; F611-M615 HydrophobicContact CB-CE 3.7Å; F611-M615 HydrophobicContact CB-CG 4.04Å; F611-M615 HydrophobicContact CB-SD 4.06Å; F611-M615 HydrophobicContact CD2-CE 4.01Å; F611-M615 HydrophobicContact CD2-SD 3.94Å; F611-M615 HydrophobicContact CG-CE 4.03Å; F611-M615 HydrophobicContact CG-SD 4.4Å; G612-M615 WeakPolarHBondContact O-CB 3.33Å; G612-M615 WeakPolarHBondContact O-CG 3.01Å; G612-M615 PolarHBondContact O-N 3.37Å; V613-M615 PolarHBondContact O-N 2.75Å; V613-M615 VanDerWaalsContact O-N 3.11Å; M615-E618 WeakPolarHBondContact CE-OE2 3.46Å; M615-R619 WeakPolarHBondContact O-CB 3.45Å; M615-R619 PolarHBondContact O-N 3.41Å; M615-R619 PolarHBondContact SD-NH2 2.75Å
616	L	94.3	Very high	94.3	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-72.2	-35.4	174.6	-66.6	163.5	0	0	0	111.3	V249 V263 I603 W608 V613 R614 E618 A620 W624	V249-L616 HydrophobicContact CG2-CD1 4.44Å; V249-L616 HydrophobicContact CG2-CD2 4.3Å; V263-L616 HydrophobicContact CG2-CD2 4.3Å; I603-L616 HydrophobicContact CD1-CD2 3.84Å; I603-L616 HydrophobicContact CD1-CG 4.25Å; W608-L616 HydrophobicContact CH2-CD1 3.79Å; W608-L616 HydrophobicContact CH2-CG 4.45Å; W608-L616 HydrophobicContact CZ3-CD1 3.84Å; W608-L616 HydrophobicContact CZ3-CG 3.98Å; V613-L616 WeakPolarHBondContact O-CB 3.39Å; V613-L616 PolarHBondContact O-N 3.28Å; R614-L616 VanDerWaalsContact C-N 3.27Å; R614-L616 PolarHBondContact O-N 2.89Å; L616-E618 VanDerWaalsContact C-N 3.34Å; L616-A620 WeakPolarHBondContact O-CB 3.21Å; L616-A620 PolarHBondContact O-N 3.37Å; L616-W624 HydrophobicContact CB-CD2 3.83Å; L616-W624 HydrophobicContact CB-CE3 3.98Å; L616-W624 HydrophobicContact CB-CG 4.24Å; L616-W624 HydrophobicContact CB-CZ2 4.43Å; L616-W624 HydrophobicContact CB-CZ3 4.37Å; L616-W624 HydrophobicContact CD1-CE3 4.45Å; L616-W624 HydrophobicContact CD1-CH2 3.67Å; L616-W624 HydrophobicContact CD1-CZ2 3.86Å; L616-W624 HydrophobicContact CD1-CZ3 4Å; L616-W624 HydrophobicContact CD2-CZ3 4.49Å
617	R	90.2	Very high	94.1	Very high	72 Å²	72	60.3 Å²	60.3	27%	0.272	29%	0.287	S	S	.	.	H	α-helix	trans	-65.1	-37.6	173.6	-71.4	-169.3	-57	-77.3	10.9	112.9	D418 V613 R614 W624	D418-R617 IonicContact OD1-CZ 2.72Å; D418-R617 IonicContact OD1-NE 3.23Å; D418-R617 IonicContact OD1-NH1 2.94Å; D418-R617 PolarHBondContact OD1-NH1 2.84Å; D418-R617 IonicContact OD1-NH2 2.66Å; D418-R617 PolarHBondContact OD1-NH2 3.38Å; D418-R617 WeakPolarHBondContact OD2-CD 3.37Å; D418-R617 IonicContact OD2-CZ 3.5Å; D418-R617 IonicContact OD2-NE 3.05Å; D418-R617 PolarHBondContact OD2-NE 2.94Å; D418-R617 IonicContact OD2-NH1 3.39Å; D418-R617 PolarHBondContact OD2-NH1 2.89Å; D418-R617 IonicContact OD2-NH2 3.34Å; V613-R617 PolarHBondContact O-N 3.33Å; R614-R617 VanDerWaalsContact CA-CZ 3.49Å; R614-R617 PolarHBondContact O-N 2.71Å; R614-R617 VanDerWaalsContact O-N 3.17Å; R617-W624 HydrophobicContact CG-CG 4.32Å
618	E	92.6	Very high	93.8	Very high	106 Å²	106	60.4 Å²	60.4	50%	0.495	29%	0.288	S	S	.	.	H	α-helix	trans	-90.8	-33.2	-172.9	-68.7	178.9	173.7	0	0	113.8	R614 M615 L616	R614-E618 HydrophobicContact CG-CG 4.41Å; R614-E618 IonicContact CZ-OE1 3.2Å; R614-E618 IonicContact NE-OE1 2.7Å; R614-E618 PolarHBondContact NE-OE1 2.99Å; R614-E618 IonicContact NE-OE2 3.84Å; R614-E618 IonicContact NH2-OE1 2.81Å; R614-E618 PolarHBondContact NH2-OE1 2.59Å; R614-E618 PolarHBondContact O-N 2.72Å; M615-E618 WeakPolarHBondContact CE-OE2 3.46Å; L616-E618 VanDerWaalsContact C-N 3.34Å
619	R	95.3	Very high	93.6	Very high	50 Å²	50	63.4 Å²	63.4	19%	0.189	30%	0.303	C	S	.	.	H	α-helix	trans	-122.1	0.6	-170.4	-79	-167.5	-70.3	-172.4	-4.3	116	E600 L601 W602 I603 E607 M615 A621	E600-R619 WeakPolarHBondContact O-CD 3.28Å; L601-R619 WeakPolarHBondContact CD2-O 3.46Å; W602-R619 VanDerWaalsContact O-CZ 3.27Å; W602-R619 PolarHBondContact O-NH1 3.36Å; I603-R619 HydrophobicContact CG1-CB 4.37Å; E607-R619 VanDerWaalsContact CD-NH1 3.33Å; E607-R619 IonicContact OE1-CZ 2.71Å; E607-R619 IonicContact OE1-NH1 3.29Å; E607-R619 PolarHBondContact OE1-NH1 2.95Å; E607-R619 IonicContact OE1-NH2 2.99Å; E607-R619 PolarHBondContact OE1-NH2 3.11Å; E607-R619 VanDerWaalsContact OE1-NH2 3.09Å; E607-R619 IonicContact OE2-CZ 2.68Å; E607-R619 VanDerWaalsContact OE2-CZ 3.29Å; E607-R619 IonicContact OE2-NH1 2.85Å; E607-R619 PolarHBondContact OE2-NH1 2.69Å; E607-R619 IonicContact OE2-NH2 2.83Å; E607-R619 PolarHBondContact OE2-NH2 2.84Å; M615-R619 WeakPolarHBondContact O-CB 3.45Å; M615-R619 PolarHBondContact O-N 3.41Å; M615-R619 PolarHBondContact SD-NH2 2.75Å; R619-A621 PolarHBondContact O-N 3.16Å
620	A	94.7	Very high	93.4	Very high	24 Å²	24	57.3 Å²	57.3	20%	0.198	28%	0.275	C	S	.	.			trans	-65.6	137.5	171.5	0	0	0	0	0	110.5	L616 F622	L616-A620 WeakPolarHBondContact O-CB 3.21Å; L616-A620 PolarHBondContact O-N 3.37Å; A620-F622 HydrophobicContact CB-CD1 4.44Å; A620-F622 HydrophobicContact CB-CE1 4.25Å; A620-F622 HydrophobicContact CB-CE2 4.35Å; A620-F622 HydrophobicContact CB-CZ 4.2Å; A620-F622 VanDerWaalsContact CB-O 3.32Å; A620-F622 WeakPolarHBondContact CB-O 3.48Å; A620-F622 PolarHBondContact O-N 2.63Å; A620-F622 VanDerWaalsContact O-N 3.17Å
621	A	93	Very high	93.2	Very high	45 Å²	45	48.4 Å²	48.4	37%	0.372	25%	0.246	S	C	.	.	S	Bend	trans	-64.4	-18	175.7	0	0	0	0	0	113.3	L601 R619	L601-A621 HydrophobicContact CD1-CB 3.84Å; L601-A621 HydrophobicContact CD2-CB 3.99Å; R619-A621 PolarHBondContact O-N 3.16Å
622	F	94.3	Very high	93.1	Very high	16 Å²	16	45.8 Å²	45.8	7%	0.07	24%	0.237	C	C	.	.	S	Bend	trans	-115.2	155.3	175.8	57.3	-88.4	0	0	0	108.8	I236 Y240 V263 H264 Q265 A620 W624	I236-F622 HydrophobicContact CD1-CE1 4.08Å; I236-F622 HydrophobicContact CD1-CE2 4.34Å; I236-F622 HydrophobicContact CD1-CZ 3.58Å; Y240-F622 HydrophobicContact CD1-CE2 4.38Å; Y240-F622 AromaticContact CE1-CD2 3.81Å; Y240-F622 HydrophobicContact CE1-CD2 3.81Å; Y240-F622 AromaticContact CE1-CE2 3.48Å; Y240-F622 HydrophobicContact CE1-CE2 3.48Å; Y240-F622 VanDerWaalsContact CE1-CE2 3.48Å; Y240-F622 HydrophobicContact CE1-CZ 4.26Å; Y240-F622 HydrophobicContact CE2-CE2 4.09Å; Y240-F622 AromaticContact CZ-CD2 3.82Å; Y240-F622 AromaticContact CZ-CE2 3.33Å; Y240-F622 WeakPolarHBondContact OH-CD2 3.16Å; Y240-F622 VanDerWaalsContact OH-CE2 3.23Å; Y240-F622 WeakPolarHBondContact OH-CE2 3.39Å; V263-F622 HydrophobicContact CG1-CE1 4.35Å; V263-F622 HydrophobicContact CG1-CZ 4.34Å; V263-F622 WeakPolarHBondContact O-CE1 3.29Å; H264-F622 AromaticContact ND1-CD1 3.9Å; Q265-F622 HydrophobicContact CG-CD1 3.99Å; Q265-F622 HydrophobicContact CG-CE1 4.32Å; Q265-F622 HydrophobicContact CG-CG 4.14Å; A620-F622 HydrophobicContact CB-CD1 4.44Å; A620-F622 HydrophobicContact CB-CE1 4.25Å; A620-F622 HydrophobicContact CB-CE2 4.35Å; A620-F622 HydrophobicContact CB-CZ 4.2Å; A620-F622 VanDerWaalsContact CB-O 3.32Å; A620-F622 WeakPolarHBondContact CB-O 3.48Å; A620-F622 PolarHBondContact O-N 2.63Å; A620-F622 VanDerWaalsContact O-N 3.17Å; F622-W624 AromaticContact CE2-CE3 3.97Å; F622-W624 HydrophobicContact CE2-CE3 3.97Å; F622-W624 HydrophobicContact CZ-CE3 4.31Å; F622-W624 PolarHBondContact O-N 3.32Å
623	V	91.2	Very high	93	Very high	105 Å²	105	48.1 Å²	48.1	64%	0.636	24%	0.241	S	C	*	.			trans	-61.8	112.5	172.7	-172.7	0	0	0	0	108.2	Y240 R301	Y240-V623 PolarHBondContact OH-O 3.27Å; Y240-V623 VanDerWaalsContact OH-O 3.06Å; R301-V623 VanDerWaalsContact NH2-C 3.31Å; R301-V623 VanDerWaalsContact NH2-CB 3.28Å; R301-V623 PolarHBondContact NH2-O 3.01Å
624	W	89.3	Confident	93	Very high	35 Å²	35	50.6 Å²	50.6	13%	0.133	25%	0.252	C	S	.	.			trans	-63	0	168.9	-176.5	-102.9	0	0	0	109.3	Y240 K242 V245 V613 L616 R617 F622	Y240-W624 HydrophobicContact CD2-CZ3 4.17Å; Y240-W624 AromaticContact CE2-CE3 3.86Å; Y240-W624 HydrophobicContact CE2-CE3 3.86Å; Y240-W624 AromaticContact CE2-CZ3 3.84Å; Y240-W624 HydrophobicContact CE2-CZ3 3.84Å; Y240-W624 WeakPolarHBondContact OH-CA 3.36Å; Y240-W624 PolarHBondContact OH-O 3.29Å; K242-W624 HydrophobicContact CB-CH2 3.96Å; K242-W624 HydrophobicContact CB-CZ2 3.55Å; K242-W624 HydrophobicContact CD-CZ2 4.25Å; K242-W624 WeakPolarHBondContact CE-O 3.21Å; K242-W624 HydrophobicContact CG-CD2 4.41Å; K242-W624 HydrophobicContact CG-CH2 4.09Å; K242-W624 HydrophobicContact CG-CZ2 3.69Å; K242-W624 PolarHBondContact NZ-O 2.79Å; K242-W624 WeakPolarHBondContact O-CH2 3.26Å; V245-W624 HydrophobicContact CB-CH2 3.85Å; V245-W624 HydrophobicContact CB-CZ3 4.06Å; V245-W624 HydrophobicContact CG1-CH2 3.87Å; V245-W624 HydrophobicContact CG1-CZ3 3.74Å; V613-W624 HydrophobicContact CG1-CZ2 4.22Å; L616-W624 HydrophobicContact CB-CD2 3.83Å; L616-W624 HydrophobicContact CB-CE3 3.98Å; L616-W624 HydrophobicContact CB-CG 4.24Å; L616-W624 HydrophobicContact CB-CZ2 4.43Å; L616-W624 HydrophobicContact CB-CZ3 4.37Å; L616-W624 HydrophobicContact CD1-CE3 4.45Å; L616-W624 HydrophobicContact CD1-CH2 3.67Å; L616-W624 HydrophobicContact CD1-CZ2 3.86Å; L616-W624 HydrophobicContact CD1-CZ3 4Å; L616-W624 HydrophobicContact CD2-CZ3 4.49Å; R617-W624 HydrophobicContact CG-CG 4.32Å; F622-W624 AromaticContact CE2-CE3 3.97Å; F622-W624 HydrophobicContact CE2-CE3 3.97Å; F622-W624 HydrophobicContact CZ-CE3 4.31Å; F622-W624 PolarHBondContact O-N 3.32Å

Retrieved 624 of 624 residues in 2735.3 ms (Link to these results)

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