A0A087XVF0_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087XVF0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 699 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	35.7	Very low	33.1	Very low	216 Å²	216	146.1 Å²	146.1	100%	1.064	73%	0.734	S	S	*	*				0	57.1	0	-76	-170.3	-90.4	0	0	110.4
2	M	26	Very low	34.1	Very low	184 Å²	184	142.8 Å²	142.8	91%	0.906	71%	0.707	S	S	*	*			trans	-104.7	21.1	178.4	-118.1	-165.8	-79.1	0	0	111.2
3	E	26.6	Very low	34.3	Very low	177 Å²	177	140.6 Å²	140.6	83%	0.827	69%	0.693	S	S	*	*	S	Bend	trans	-117.8	-5.2	-177.7	-77.5	-178.3	157.5	0	0	114.1
4	E	31.3	Very low	34.5	Very low	152 Å²	152	135.6 Å²	135.6	71%	0.71	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-97.1	-0.3	-179.4	-77.8	-176.5	153.7	0	0	115.2	H6 S7	E4-H6 VanDerWaalsContact C-N 3.34Å; E4-S7 PolarHBondContact O-OG 3.26Å
5	L	31.8	Very low	34.7	Very low	149 Å²	149	134.7 Å²	134.7	78%	0.78	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-82.5	-4.9	175.5	-105.8	99.6	0	0	0	114.8	S7	L5-S7 VanDerWaalsContact C-N 3.34Å
6	H	31.9	Very low	34.9	Very low	182 Å²	182	130.4 Å²	130.4	84%	0.843	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-90.3	12.2	177.6	-73.3	110.8	0	0	0	114.1	E4	E4-H6 VanDerWaalsContact C-N 3.34Å
7	S	32.3	Very low	35.1	Very low	105 Å²	105	128.5 Å²	128.5	73%	0.734	64%	0.635	S	S	*	*			trans	-102.9	15.3	-178.9	69.9	0	0	0	0	115.1	E4 L5	E4-S7 PolarHBondContact O-OG 3.26Å; L5-S7 VanDerWaalsContact C-N 3.34Å
8	L	35.4	Very low	35.1	Very low	101 Å²	101	122 Å²	122	53%	0.529	60%	0.604	S	S	.	*	S	Bend	trans	-80	124.3	172.3	-70.2	170.1	0	0	0	110.3	V578	L8-V578 HydrophobicContact CD2-CG1 4.44Å
9	D	43	Very low	35.4	Very low	80 Å²	80	123.2 Å²	123.2	43%	0.428	60%	0.601	S	S	.	*			trans	-50.7	122.3	172.3	175	8.5	0	0	0	111.1	R11 R12 Q13	D9-R11 PolarHBondContact O-N 2.86Å; D9-R11 WeakPolarHBondContact OD1-CB 3.21Å; D9-R11 PolarHBondContact OD1-N 2.9Å; D9-R12 HydrophobicContact CB-CG 4.27Å; D9-R12 WeakPolarHBondContact O-CB 3.41Å; D9-R12 PolarHBondContact O-N 3.14Å; D9-Q13 PolarHBondContact O-N 3.36Å
10	P	34.5	Very low	35.6	Very low	100 Å²	100	122.7 Å²	122.7	65%	0.649	60%	0.596	S	S	*	*	H	α-helix	trans	-52.6	-28.7	177.4	-26.7	34	0	0	0	113.8	R12 Q13 E14	P10-R12 VanDerWaalsContact C-N 3.31Å; P10-R12 PolarHBondContact O-N 3.46Å; P10-Q13 PolarHBondContact O-N 3.25Å; P10-E14 PolarHBondContact O-N 3.28Å
11	R	36.2	Very low	35.4	Very low	161 Å²	161	121.6 Å²	121.6	61%	0.608	60%	0.597	S	S	*	*	H	α-helix	trans	-69.2	-26.8	178.1	-132.2	173	-175.3	179.2	-0.1	112.8	D9 E429	D9-R11 PolarHBondContact O-N 2.86Å; D9-R11 WeakPolarHBondContact OD1-CB 3.21Å; D9-R11 PolarHBondContact OD1-N 2.9Å; R11-E429 IonicContact NH2-OE1 3.52Å; R11-E429 PolarHBondContact NH2-OE1 3.33Å
12	R	44.8	Very low	35.2	Very low	107 Å²	107	114.7 Å²	114.7	40%	0.404	58%	0.581	S	S	.	*	H	α-helix	trans	-80.7	-33.4	176	-71.2	-176.3	174.1	179.9	-1	112.4	D9 P10 E14 L15 L16	D9-R12 HydrophobicContact CB-CG 4.27Å; D9-R12 WeakPolarHBondContact O-CB 3.41Å; D9-R12 PolarHBondContact O-N 3.14Å; P10-R12 VanDerWaalsContact C-N 3.31Å; P10-R12 PolarHBondContact O-N 3.46Å; R12-E14 VanDerWaalsContact C-N 3.3Å; R12-L15 PolarHBondContact O-N 3.13Å; R12-L16 PolarHBondContact O-N 2.95Å
13	Q	37.1	Very low	35.3	Very low	114 Å²	114	111 Å²	111	53%	0.533	57%	0.569	S	S	.	*	H	α-helix	trans	-66.1	-35.5	173.9	-162	167.8	0.6	0	0	111.1	D9 P10 L16 E17	D9-Q13 PolarHBondContact O-N 3.36Å; P10-Q13 PolarHBondContact O-N 3.25Å; Q13-L16 PolarHBondContact O-N 2.95Å; Q13-E17 WeakPolarHBondContact O-CB 3.4Å; Q13-E17 PolarHBondContact O-N 3.17Å
14	E	37.2	Very low	35.4	Very low	70 Å²	70	106.3 Å²	106.3	33%	0.327	57%	0.567	S	S	.	*	H	α-helix	trans	-72.8	-28.2	179.8	-142	179.6	-167.6	0	0	113.6	P10 R12 A18 R427	P10-E14 PolarHBondContact O-N 3.28Å; R12-E14 VanDerWaalsContact C-N 3.3Å; E14-A18 WeakPolarHBondContact O-CB 3.42Å; E14-A18 PolarHBondContact O-N 3.47Å; E14-R427 IonicContact OE1-CZ 2.72Å; E14-R427 VanDerWaalsContact OE1-CZ 3.27Å; E14-R427 IonicContact OE1-NH1 2.88Å; E14-R427 PolarHBondContact OE1-NH1 2.91Å; E14-R427 IonicContact OE1-NH2 2.71Å; E14-R427 PolarHBondContact OE1-NH2 2.97Å; E14-R427 IonicContact OE2-NH2 2.8Å; E14-R427 PolarHBondContact OE2-NH2 2.8Å
15	L	37.6	Very low	35.3	Very low	123 Å²	123	105.2 Å²	105.2	64%	0.644	57%	0.571	S	S	*	*	H	α-helix	trans	-75.6	-32	172.6	-84.5	165.8	0	0	0	112.7	R12	R12-L15 PolarHBondContact O-N 3.13Å
16	L	37.2	Very low	35	Very low	66 Å²	66	103.7 Å²	103.7	35%	0.346	57%	0.573	S	S	.	*	H	α-helix	trans	-71	-51	169.2	-79.2	156.2	0	0	0	109.9	R12 Q13 A18 R19 F20	R12-L16 PolarHBondContact O-N 2.95Å; Q13-L16 PolarHBondContact O-N 2.95Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 3.01Å; L16-R19 PolarHBondContact O-N 3.28Å; L16-F20 HydrophobicContact CB-CD2 4.35Å; L16-F20 HydrophobicContact CD2-CD2 4.12Å; L16-F20 HydrophobicContact CD2-CE2 3.83Å; L16-F20 WeakPolarHBondContact O-CB 3.48Å; L16-F20 WeakPolarHBondContact O-CD2 3.39Å; L16-F20 PolarHBondContact O-N 3.15Å
17	E	38.2	Very low	34.8	Very low	98 Å²	98	105.3 Å²	105.3	46%	0.458	58%	0.577	S	S	.	*	H	α-helix	trans	-59.7	-34.8	175.6	-88.5	-173.9	155.2	0	0	112.6	Q13 R19 F20 T21	Q13-E17 WeakPolarHBondContact O-CB 3.4Å; Q13-E17 PolarHBondContact O-N 3.17Å; E17-R19 PolarHBondContact O-N 3.49Å; E17-F20 PolarHBondContact O-N 3.42Å; E17-T21 HydrophobicContact CB-CG2 3.66Å; E17-T21 HydrophobicContact CG-CG2 3.73Å; E17-T21 WeakPolarHBondContact O-CB 3.3Å; E17-T21 WeakPolarHBondContact O-CG2 3.45Å; E17-T21 PolarHBondContact O-N 3.34Å; E17-T21 PolarHBondContact O-OG1 2.86Å
18	A	35.7	Very low	34.4	Very low	11 Å²	11	104.1 Å²	104.1	9%	0.091	58%	0.582	C	S	.	*	H	α-helix	trans	-56.1	-25.3	174.6	0	0	0	0	0	114.4	E14 L16 F400 W426	E14-A18 WeakPolarHBondContact O-CB 3.42Å; E14-A18 PolarHBondContact O-N 3.47Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 3.01Å; A18-F400 VanDerWaalsContact O-CZ 3.24Å; A18-F400 WeakPolarHBondContact O-CZ 3.06Å; A18-W426 HydrophobicContact CB-CZ2 4.46Å
19	R	41	Very low	34	Very low	144 Å²	144	105.3 Å²	105.3	54%	0.543	60%	0.599	S	S	.	*	H	α-helix	trans	-106.2	-15.5	173.5	-66.5	-164.1	177.1	-166.7	-0.1	113.5	L16 E17 F400	L16-R19 PolarHBondContact O-N 3.28Å; E17-R19 PolarHBondContact O-N 3.49Å; R19-F400 HydrophobicContact CG-CE2 4.03Å
20	F	39.5	Very low	33	Very low	113 Å²	113	105.5 Å²	105.5	50%	0.496	62%	0.62	S	S	.	*	H	α-helix	trans	-114.4	-8.1	-173.1	-70.1	-66.9	0	0	0	115.5	L16 E17 G22	L16-F20 HydrophobicContact CB-CD2 4.35Å; L16-F20 HydrophobicContact CD2-CD2 4.12Å; L16-F20 HydrophobicContact CD2-CE2 3.83Å; L16-F20 WeakPolarHBondContact O-CB 3.48Å; L16-F20 WeakPolarHBondContact O-CD2 3.39Å; L16-F20 PolarHBondContact O-N 3.15Å; E17-F20 PolarHBondContact O-N 3.42Å; F20-G22 PolarHBondContact O-N 2.95Å
21	T	31	Very low	32.5	Very low	100 Å²	100	109.9 Å²	109.9	61%	0.613	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	66.8	171	58	0	0	0	0	110.8	E17	E17-T21 HydrophobicContact CB-CG2 3.66Å; E17-T21 HydrophobicContact CG-CG2 3.73Å; E17-T21 WeakPolarHBondContact O-CB 3.3Å; E17-T21 WeakPolarHBondContact O-CG2 3.45Å; E17-T21 PolarHBondContact O-N 3.34Å; E17-T21 PolarHBondContact O-OG1 2.86Å
22	G	31.1	Very low	31.8	Very low	71 Å²	71	107.5 Å²	107.5	73%	0.732	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	5	157.3	0	0	0	0	0	112.2	F20	F20-G22 PolarHBondContact O-N 2.95Å
23	V	29	Very low	30.8	Very low	108 Å²	108	111.3 Å²	111.3	66%	0.655	66%	0.662	S	S	*	*			trans	-150.8	108.6	176.3	-172.3	0	0	0	0	109.9	V25	V23-V25 HydrophobicContact CG1-CG2 4.4Å
24	G	27	Very low	30.2	Very low	77 Å²	77	113.6 Å²	113.6	79%	0.794	68%	0.678	S	S	*	*			trans	-78.9	129.6	165.4	0	0	0	0	0	110
25	V	30.3	Very low	29.5	Very low	129 Å²	129	119.6 Å²	119.6	78%	0.782	71%	0.705	S	S	*	*			trans	-105.3	114.8	175.4	177.4	0	0	0	0	109.7	V23	V23-V25 HydrophobicContact CG1-CG2 4.4Å
26	S	25.1	Very low	28.8	Very low	118 Å²	118	119.8 Å²	119.8	83%	0.825	72%	0.717	S	S	*	*			trans	-89.8	132.2	163.2	-50.9	0	0	0	0	109.2
27	K	28.4	Very low	28.3	Very low	215 Å²	215	120.4 Å²	120.4	94%	0.935	73%	0.727	S	S	*	*			trans	-62.9	136.6	-180	-76	178.1	173.8	175.7	0	112.6
28	G	23.6	Very low	27.9	Very low	80 Å²	80	121.1 Å²	121.1	83%	0.825	73%	0.734	S	S	*	*			trans	-157.2	121.3	164.7	0	0	0	0	0	111.1
29	S	25.8	Very low	27.5	Very low	127 Å²	127	126.6 Å²	126.6	89%	0.888	76%	0.758	S	S	*	*			trans	-82.1	139.4	-177.4	48.7	0	0	0	0	113.4
30	G	23.6	Very low	26.8	Very low	84 Å²	84	125.3 Å²	125.3	87%	0.866	77%	0.771	S	S	*	*			trans	174.1	130.2	164.9	0	0	0	0	0	114
31	Q	22.2	Very low	26.1	Very low	192 Å²	192	125.6 Å²	125.6	90%	0.897	78%	0.777	S	S	*	*			trans	-87.3	149.9	-175.1	-81.8	171.1	-43.4	0	0	114.8
32	S	22.2	Very low	25.8	Very low	110 Å²	110	125.9 Å²	125.9	77%	0.769	78%	0.782	S	S	*	*			trans	74.7	141.1	157.5	89	0	0	0	0	117.1
33	Q	23.1	Very low	25.6	Very low	187 Å²	187	127 Å²	127	87%	0.874	78%	0.778	S	S	*	*			cis	-145.4	162.2	21.8	-69.3	-178.2	-17.2	0	0	112
34	N	24.5	Very low	25.5	Very low	163 Å²	163	127.4 Å²	127.4	87%	0.872	78%	0.776	S	S	*	*			trans	-52	127	177.2	-89	-19.5	0	0	0	115.7
35	E	23.6	Very low	25.3	Very low	195 Å²	195	127.4 Å²	127.4	91%	0.911	78%	0.776	S	S	*	*			trans	-148.7	123.7	138.4	-77.9	-161.3	148.5	0	0	109.9
36	S	23.7	Very low	25.2	Very low	127 Å²	127	126.3 Å²	126.3	89%	0.888	77%	0.774	S	S	*	*			trans	-85.7	122.1	-174.2	51.8	0	0	0	0	112
37	S	26.6	Very low	25.1	Very low	79 Å²	79	128.5 Å²	128.5	55%	0.552	78%	0.776	S	S	*	*			trans	-142.5	138.9	163.7	54.9	0	0	0	0	110.7	Q39	S37-Q39 PolarHBondContact O-N 2.98Å; S37-Q39 PolarHBondContact OG-NE2 2.99Å
38	N	28.7	Very low	25	Very low	114 Å²	114	123.5 Å²	123.5	61%	0.61	77%	0.768	S	S	*	*			trans	-67.4	80.3	177.4	-81.1	-44.1	0	0	0	110.2
39	Q	26.6	Very low	25.1	Very low	126 Å²	126	127.1 Å²	127.1	59%	0.589	77%	0.768	S	S	*	*			trans	-105	101.7	175.1	-59.7	-174.5	14.8	0	0	109.6	S37 L41	S37-Q39 PolarHBondContact O-N 2.98Å; S37-Q39 PolarHBondContact OG-NE2 2.99Å; Q39-L41 HydrophobicContact CB-CD1 4.49Å; Q39-L41 HydrophobicContact CB-CD2 4.26Å; Q39-L41 HydrophobicContact CB-CG 3.9Å; Q39-L41 PolarHBondContact O-N 3.35Å; Q39-L41 VanDerWaalsContact O-N 3.07Å
40	S	26.3	Very low	25.2	Very low	116 Å²	116	130.6 Å²	130.6	81%	0.811	77%	0.767	S	S	*	*			trans	-73.4	85.1	154.5	165.1	0	0	0	0	107.4	C42	S40-C42 PolarHBondContact O-N 3.02Å
41	L	25.6	Very low	25.3	Very low	119 Å²	119	136.2 Å²	136.2	62%	0.623	77%	0.771	S	S	*	*			trans	-75.1	105.8	174.8	-69.8	172.1	0	0	0	110.2	Q39	Q39-L41 HydrophobicContact CB-CD1 4.49Å; Q39-L41 HydrophobicContact CB-CD2 4.26Å; Q39-L41 HydrophobicContact CB-CG 3.9Å; Q39-L41 PolarHBondContact O-N 3.35Å; Q39-L41 VanDerWaalsContact O-N 3.07Å
42	C	24.1	Very low	25.5	Very low	106 Å²	106	134.5 Å²	134.5	72%	0.716	77%	0.767	S	S	*	*			trans	-90.6	106.3	137.4	-64.9	0	0	0	0	105.2	S40	S40-C42 PolarHBondContact O-N 3.02Å
43	S	27.6	Very low	25.7	Very low	95 Å²	95	138.6 Å²	138.6	66%	0.664	77%	0.774	S	S	*	*			trans	-84.3	153.2	-177.9	-132.9	0	0	0	0	111.7
44	L	26.1	Very low	25.8	Very low	117 Å²	117	135.6 Å²	135.6	61%	0.613	77%	0.769	S	S	*	*			trans	-83.7	150	-175.2	-67.7	147.5	0	0	0	112	E259	L44-E259 HydrophobicContact CD1-CB 3.65Å; L44-E259 HydrophobicContact CD1-CG 3.85Å; L44-E259 WeakPolarHBondContact CD1-OE2 3.09Å
45	G	24.3	Very low	26.5	Very low	77 Å²	77	133.2 Å²	133.2	79%	0.794	76%	0.763	S	S	*	*			trans	-140.6	108.7	166.7	0	0	0	0	0	110.4
46	S	26.7	Very low	26.6	Very low	105 Å²	105	131.4 Å²	131.4	73%	0.734	75%	0.754	S	S	*	*			trans	-69.7	128.9	174.4	-175.4	0	0	0	0	110.4
47	L	23.4	Very low	26.8	Very low	164 Å²	164	133.7 Å²	133.7	86%	0.859	75%	0.748	S	S	*	*			trans	-69.2	126.9	169.9	-69.4	163.8	0	0	0	109.6
48	S	26	Very low	26.8	Very low	110 Å²	110	139.1 Å²	139.1	77%	0.769	76%	0.761	S	S	*	*			trans	-136.8	104.9	158	67.9	0	0	0	0	108.7
49	D	26.8	Very low	26.8	Very low	156 Å²	156	137.9 Å²	137.9	83%	0.834	77%	0.767	S	S	*	*			trans	-62.7	133.5	167.5	-71	-41.1	0	0	0	110.3
50	K	26.6	Very low	26.8	Very low	200 Å²	200	138.2 Å²	138.2	87%	0.87	77%	0.773	S	S	*	*			trans	-144.8	95.6	156.1	-81.9	-162.4	175.2	-175.6	0	109.1
51	E	26.5	Very low	26.9	Very low	202 Å²	202	139 Å²	139	94%	0.944	76%	0.764	S	S	*	*			trans	-83.5	136.2	149.7	-75.2	-171.5	144.2	0	0	108.9
52	L	26.9	Very low	27	Very low	156 Å²	156	140.7 Å²	140.7	82%	0.817	77%	0.769	S	S	*	*			trans	-111.2	108.8	168.5	-95.6	161.9	0	0	0	106.3
53	E	25.6	Very low	27.2	Very low	197 Å²	197	146.3 Å²	146.3	92%	0.921	78%	0.775	S	S	*	*			trans	-145.8	130	141.8	-79.6	-154.9	154.5	0	0	109.9
54	T	25.1	Very low	27.2	Very low	124 Å²	124	147.4 Å²	147.4	76%	0.761	78%	0.777	S	S	*	*			trans	-122.1	165.6	167.1	48.1	0	0	0	0	106.3
55	P	38.8	Very low	27.4	Very low	113 Å²	113	152.4 Å²	152.4	73%	0.734	79%	0.788	S	S	*	*			cis	-137.3	172.5	19.4	31	-5.8	0	0	0	113.4
56	E	27.1	Very low	27.6	Very low	156 Å²	156	158 Å²	158	73%	0.729	79%	0.791	S	S	*	*				-169.2	132.8	87.6	-82.5	-155.7	121.9	0	0	113.4
57	K	27.4	Very low	27.8	Very low	176 Å²	176	164.5 Å²	164.5	77%	0.765	80%	0.799	S	S	*	*			trans	36.1	125.1	135.2	-77.7	171.7	-179.8	164.7	0	117.5
58	K	27.9	Very low	27.9	Very low	192 Å²	192	166.7 Å²	166.7	84%	0.835	80%	0.802	S	S	*	*				176.3	151.2	60.6	-120.4	169.3	-174	-177.4	0	111
59	A	27.5	Very low	27.9	Very low	89 Å²	89	165 Å²	165	74%	0.736	79%	0.794	S	S	*	*			trans	66.2	108.4	148.3	0	0	0	0	0	119.3
60	N	26.7	Very low	27.9	Very low	132 Å²	132	164.3 Å²	164.3	71%	0.706	79%	0.791	S	S	*	*				83	134.4	92.6	-133.1	32.3	0	0	0	110.7
61	E	28.5	Very low	27.9	Very low	133 Å²	133	163.6 Å²	163.6	62%	0.621	79%	0.79	S	S	*	*			cis	-171	145.3	15.5	-150.3	163	-141	0	0	107.6
62	Q	27.1	Very low	28	Very low	154 Å²	154	163.3 Å²	163.3	72%	0.72	79%	0.786	S	S	*	*			trans	43.2	122.3	142.8	-69.2	175.7	18	0	0	123.6
63	R	29.5	Very low	27.8	Very low	224 Å²	224	163.5 Å²	163.5	85%	0.845	79%	0.788	S	S	*	*				150.5	108.2	117.8	-91.6	176.8	170.3	176.3	-2.7	110
64	V	26.6	Very low	28	Very low	119 Å²	119	158.7 Å²	158.7	72%	0.721	78%	0.776	S	S	*	*				67.2	120.6	86.4	176.7	0	0	0	0	114
65	R	29.9	Very low	28.1	Very low	221 Å²	221	158.5 Å²	158.5	83%	0.834	78%	0.78	S	S	*	*			trans	96	111	146.5	-89.8	167.6	-163.7	179.4	2.6	120.9
66	K	28.8	Very low	27.7	Very low	196 Å²	196	162.4 Å²	162.4	85%	0.852	79%	0.788	S	S	*	*				109.5	124.4	107.3	-125.6	175.9	-178.4	-178.4	0	117.4
67	R	30.8	Very low	27.7	Very low	240 Å²	240	158.4 Å²	158.4	91%	0.906	79%	0.789	S	S	*	*			trans	-46.8	148.5	166.7	-58.9	170	-177.7	169.4	-1	113.7
68	K	27	Very low	27.8	Very low	210 Å²	210	160.1 Å²	160.1	91%	0.913	80%	0.796	S	S	*	*			trans	-153.4	117.2	132.2	-124	-179.4	177.4	-175.2	0	111.1
69	A	26	Very low	27.8	Very low	75 Å²	75	155.8 Å²	155.8	62%	0.62	80%	0.797	S	S	*	*			trans	-69.2	169.9	152.7	0	0	0	0	0	107.9
70	D	26.8	Very low	27.9	Very low	142 Å²	142	155.5 Å²	155.5	76%	0.759	80%	0.802	S	S	*	*			cis	-161.3	161.6	11.4	-91.1	-50.6	0	0	0	104.3
71	H	26.1	Very low	28.2	Very low	185 Å²	185	154.1 Å²	154.1	86%	0.856	81%	0.809	S	S	*	*				161.3	137.6	105.7	-116.5	-5.6	0	0	0	113.4
72	F	27.2	Very low	28.4	Very low	195 Å²	195	159.9 Å²	159.9	86%	0.855	83%	0.825	S	S	*	*			trans	-63	148.5	166.7	-110.6	-110.8	0	0	0	111.6
73	D	24.5	Very low	28.7	Very low	161 Å²	161	155.8 Å²	155.8	86%	0.861	82%	0.824	S	S	*	*			trans	-148.3	146.5	137.2	-151.8	1.5	0	0	0	112.2
74	S	28.7	Very low	29.1	Very low	95 Å²	95	152.1 Å²	152.1	66%	0.664	82%	0.821	S	S	*	*			trans	-102.1	139.4	-176.2	157.1	0	0	0	0	109.6
75	S	27.3	Very low	29.7	Very low	120 Å²	120	154 Å²	154	84%	0.839	82%	0.819	S	S	*	*			trans	-153.8	143.4	157.5	55.1	0	0	0	0	113.3
76	Q	30.2	Very low	30.4	Very low	195 Å²	195	150.6 Å²	150.6	91%	0.911	82%	0.816	S	S	*	*			trans	-82.8	148	-172.9	-69.7	175.6	-22.7	0	0	114
77	G	27.3	Very low	30.8	Very low	72 Å²	72	144.7 Å²	144.7	74%	0.742	80%	0.8	S	S	*	*				98.4	113.5	128	0	0	0	0	0	119.7
78	K	28.8	Very low	31.2	Very low	212 Å²	212	138 Å²	138	92%	0.922	78%	0.782	S	S	*	*				167.4	145.2	113.3	-96.9	179.9	178	175.7	0	114.4
79	A	28.5	Very low	31.9	Very low	102 Å²	102	135.5 Å²	135.5	84%	0.843	77%	0.768	S	S	*	*			trans	72.3	112.8	148.1	0	0	0	0	0	119.9
80	G	30.3	Very low	32.4	Very low	83 Å²	83	140.3 Å²	140.3	86%	0.856	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-78.3	146.3	173.9	0	0	0	0	0	114.1
81	A	31.8	Very low	32.8	Very low	103 Å²	103	142.9 Å²	142.9	85%	0.851	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-100.1	124.1	165.1	0	0	0	0	0	109	G83	A81-G83 PolarHBondContact O-N 3.45Å
82	R	33.7	Very low	33.2	Very low	253 Å²	253	143.4 Å²	143.4	96%	0.955	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-64.8	125.6	173.6	-71.2	175.1	177.5	169.2	-0.9	109
83	G	32.9	Very low	33.5	Very low	68 Å²	68	139.1 Å²	139.1	70%	0.701	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-64.8	141.1	169.1	0	0	0	0	0	111.3	A81	A81-G83 PolarHBondContact O-N 3.45Å
84	L	37.8	Very low	33.8	Very low	148 Å²	148	134.7 Å²	134.7	78%	0.775	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-60.3	134	175.4	-69.2	161.4	0	0	0	109.9
85	K	38.3	Very low	33.8	Very low	157 Å²	157	134.1 Å²	134.1	68%	0.683	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-83.6	145.8	-179.8	-75.9	-179.2	177.6	178.7	0	109.9	S87 D88	K85-S87 WeakPolarHBondContact CB-OG 3.25Å; K85-S87 PolarHBondContact O-N 2.95Å; K85-D88 PolarHBondContact O-N 3.04Å; K85-D88 VanDerWaalsContact O-N 3.13Å
86	I	44.8	Very low	34.3	Very low	150 Å²	150	134.8 Å²	134.8	77%	0.769	79%	0.789	S	S	*	*	G	3₁₀ helix	trans	-57.7	-18.6	179.1	-120	158.5	0	0	0	113.5	D88	I86-D88 PolarHBondContact O-N 3.4Å
87	S	38	Very low	34.3	Very low	73 Å²	73	128.7 Å²	128.7	51%	0.51	78%	0.779	S	S	.	*	G	3₁₀ helix	trans	-64.2	-25.2	176.7	48.7	0	0	0	0	113.7	K85 Y89 F90	K85-S87 WeakPolarHBondContact CB-OG 3.25Å; K85-S87 PolarHBondContact O-N 2.95Å; S87-Y89 PolarHBondContact O-N 3.49Å; S87-F90 PolarHBondContact O-N 2.94Å
88	D	39.2	Very low	35.1	Very low	100 Å²	100	131.5 Å²	131.5	54%	0.535	78%	0.784	S	S	.	*	G	3₁₀ helix	trans	-82.3	-0.2	-166.8	-55.4	-12.1	0	0	0	112.5	K85 I86	K85-D88 PolarHBondContact O-N 3.04Å; K85-D88 VanDerWaalsContact O-N 3.13Å; I86-D88 PolarHBondContact O-N 3.4Å
89	Y	41.2	Very low	35.2	Very low	156 Å²	156	124.6 Å²	124.6	61%	0.612	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-109.9	-3.3	178.4	-76.3	-79.9	0	0	0	114.5	S87 M218	S87-Y89 PolarHBondContact O-N 3.49Å; Y89-M218 HydrophobicContact CD1-CE 4.48Å; Y89-M218 HydrophobicContact CD2-CE 4.4Å; Y89-M218 HydrophobicContact CE1-CE 4.08Å; Y89-M218 HydrophobicContact CE2-CE 3.98Å
90	F	37.9	Very low	35.4	Very low	176 Å²	176	127 Å²	127	77%	0.772	78%	0.777	S	S	*	*			trans	-118	67	177.1	-70.7	-81.7	0	0	0	110.2	S87 F92	S87-F90 PolarHBondContact O-N 2.94Å; F90-F92 PolarHBondContact O-N 3.04Å; F90-F92 VanDerWaalsContact O-N 3.15Å
91	E	34.6	Very low	35.6	Very low	196 Å²	196	128.4 Å²	128.4	92%	0.916	77%	0.774	S	S	*	*			trans	-72.5	102.7	161.5	-88.1	-172.3	161.4	0	0	109.1
92	F	33.4	Very low	36.1	Very low	196 Å²	196	129.3 Å²	129.3	86%	0.86	77%	0.771	S	S	*	*			trans	-77.3	121.8	167.3	-142.4	-92.1	0	0	0	107.8	F90 G94	F90-F92 PolarHBondContact O-N 3.04Å; F90-F92 VanDerWaalsContact O-N 3.15Å; F92-G94 PolarHBondContact O-N 3.18Å
93	A	34.6	Very low	35.9	Very low	105 Å²	105	121.9 Å²	121.9	87%	0.868	76%	0.764	S	S	*	*			trans	-67.4	100.5	167.3	0	0	0	0	0	108.5
94	G	29.6	Very low	36.3	Very low	69 Å²	69	130.7 Å²	130.7	71%	0.711	78%	0.776	S	S	*	*			trans	-118.6	104.3	173	0	0	0	0	0	110.6	F92	F92-G94 PolarHBondContact O-N 3.18Å
95	G	30.6	Very low	35.8	Very low	83 Å²	83	127.1 Å²	127.1	86%	0.856	78%	0.775	S	S	*	*			trans	-78	133.7	156.2	0	0	0	0	0	109.3
96	S	36.1	Very low	35.9	Very low	133 Å²	133	127.5 Å²	127.5	93%	0.93	78%	0.783	S	S	*	*			trans	-75.7	146.8	-166.6	29.7	0	0	0	0	115.5
97	G	30.7	Very low	35.3	Very low	67 Å²	67	125.5 Å²	125.5	69%	0.691	78%	0.78	S	S	*	*			trans	-164.6	139.2	162.6	0	0	0	0	0	110.4
98	P	43.3	Very low	35.2	Very low	132 Å²	132	127.7 Å²	127.7	86%	0.857	79%	0.792	S	S	*	*			trans	-93.9	146.5	-159.7	35.7	-32.7	0	0	0	114
99	G	32.6	Very low	34.9	Very low	67 Å²	67	129.2 Å²	129.2	69%	0.691	81%	0.805	S	S	*	*			trans	74.7	109.7	146.8	0	0	0	0	0	117.8
100	T	31.1	Very low	34.3	Very low	151 Å²	151	128 Å²	128	93%	0.926	81%	0.813	S	S	*	*				165.7	130.1	122.9	39.1	0	0	0	0	109
101	S	34.7	Very low	34.1	Very low	113 Å²	113	130.4 Å²	130.4	79%	0.79	82%	0.817	S	S	*	*			trans	-71.2	154.9	155.6	-69	0	0	0	0	108
102	P	44	Very low	33.9	Very low	122 Å²	122	126.5 Å²	126.5	79%	0.792	81%	0.812	S	S	*	*			cis	-156.9	-176.4	47.6	40.2	-16.7	0	0	0	118.2
103	A	28.1	Very low	33.8	Very low	97 Å²	97	122.5 Å²	122.5	80%	0.802	81%	0.808	S	S	*	*			trans	87.7	140.1	141	0	0	0	0	0	122.4
104	R	42.3	Very low	33.8	Very low	254 Å²	254	123.4 Å²	123.4	96%	0.958	81%	0.805	S	S	*	*			trans	-50.4	137.9	170.4	-75.3	169.8	166.8	167	-4.8	112.9
105	G	27.4	Very low	34	Very low	73 Å²	73	128.3 Å²	128.3	75%	0.753	81%	0.809	S	S	*	*			trans	-169.4	117.8	163	0	0	0	0	0	111.7
106	I	39.9	Very low	34	Very low	164 Å²	164	133.2 Å²	133.2	84%	0.841	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-73.7	133.5	170.6	-61.1	168.7	0	0	0	107.8
107	P	32.9	Very low	33.8	Very low	109 Å²	109	132.3 Å²	132.3	71%	0.708	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-87.2	146.7	171.4	30.8	-25.6	0	0	0	111.6
108	P	34.8	Very low	33.8	Very low	118 Å²	118	137.1 Å²	137.1	77%	0.766	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-82.1	147	-172.6	33.4	-33.1	0	0	0	112.4	V110	P108-V110 PolarHBondContact O-N 3.35Å
109	V	33.2	Very low	33.3	Very low	133 Å²	133	135.8 Å²	135.8	81%	0.806	81%	0.806	S	S	*	*			trans	-75.3	113.9	169.9	176.4	0	0	0	0	108.7	R111	V109-R111 PolarHBondContact O-N 2.93Å
110	V	29.5	Very low	33.3	Very low	129 Å²	129	140.4 Å²	140.4	78%	0.782	82%	0.815	S	S	*	*			trans	-82.9	109.4	166.8	177.6	0	0	0	0	108.2	P108	P108-V110 PolarHBondContact O-N 3.35Å
111	R	33.7	Very low	33.6	Very low	228 Å²	228	138.9 Å²	138.9	86%	0.86	81%	0.808	S	S	*	*			trans	-76.5	127.5	164	-77.6	178.8	171.3	179.5	-3	108.6	V109	V109-R111 PolarHBondContact O-N 2.93Å
112	S	29	Very low	33.9	Very low	114 Å²	114	139.2 Å²	139.2	80%	0.797	81%	0.807	S	S	*	*			trans	-115.9	119.5	158.9	48.7	0	0	0	0	109.3
113	S	30.9	Very low	33.4	Very low	112 Å²	112	140.1 Å²	140.1	78%	0.783	81%	0.81	S	S	*	*			trans	-85.8	146.6	168.7	-64.2	0	0	0	0	109.7
114	P	36	Very low	33.6	Very low	124 Å²	124	141.7 Å²	141.7	81%	0.805	81%	0.81	S	S	*	*			trans	-95.5	127.2	177.4	33.8	-27.3	0	0	0	111.5
115	Q	33.5	Very low	33.1	Very low	172 Å²	172	135.5 Å²	135.5	80%	0.804	80%	0.8	S	S	*	*			trans	-133.1	120	152.9	-76.7	-168.2	-22.9	0	0	107.2
116	H	31.2	Very low	33.3	Very low	186 Å²	186	141.3 Å²	141.3	86%	0.861	81%	0.808	S	S	*	*				173.2	112.3	125.3	-88.9	-65.1	0	0	0	109.4
117	S	30.9	Very low	33	Very low	113 Å²	113	142.5 Å²	142.5	79%	0.79	81%	0.809	S	S	*	*			trans	-69.3	140.3	172.2	-35.6	0	0	0	0	111
118	L	31.7	Very low	32.8	Very low	168 Å²	168	140.9 Å²	140.9	88%	0.88	81%	0.813	S	S	*	*			trans	-155.5	111.7	142.2	-85.4	-175.2	0	0	0	110.9
119	S	32.2	Very low	32.9	Very low	104 Å²	104	141 Å²	141	73%	0.727	82%	0.816	S	S	*	*			trans	4.1	127.2	150.6	46.3	0	0	0	0	122
120	N	32	Very low	34	Very low	165 Å²	165	140.2 Å²	140.2	88%	0.882	81%	0.814	S	S	*	*			trans	-113.4	149.3	154.6	-91.5	-11	0	0	0	110.2
121	P	38.1	Very low	34.1	Very low	119 Å²	119	139.5 Å²	139.5	77%	0.773	82%	0.815	S	S	*	*			trans	-112.2	165.1	149.4	33.4	-19.9	0	0	0	112.2
122	P	41.5	Very low	34	Very low	119 Å²	119	133.6 Å²	133.6	77%	0.773	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-94.7	150.6	-149.8	35.8	-33	0	0	0	114.2
123	V	31.5	Very low	34.4	Very low	141 Å²	141	136.8 Å²	136.8	86%	0.855	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-100.1	119.7	167.8	174.5	0	0	0	0	108.8
124	T	33.3	Very low	34.4	Very low	131 Å²	131	136.6 Å²	136.6	80%	0.804	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-83.6	132.8	170	-44.1	0	0	0	0	109.4
125	V	32.7	Very low	34.5	Very low	124 Å²	124	136 Å²	136	75%	0.752	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-80.3	133	176.2	173.1	0	0	0	0	109.6
126	Q	30.3	Very low	34.4	Very low	195 Å²	195	134.4 Å²	134.4	91%	0.911	81%	0.814	S	S	*	*			trans	-143.9	134.7	151.2	-142	169.1	15.3	0	0	112
127	Q	34.3	Very low	34.6	Very low	188 Å²	188	132.6 Å²	132.6	88%	0.879	81%	0.811	S	S	*	*			trans	-73.7	158.2	-173.7	-64	173.4	-25.4	0	0	113.1
128	G	29.5	Very low	34.7	Very low	76 Å²	76	134.1 Å²	134.1	78%	0.784	82%	0.815	S	S	*	*			trans	166.8	103.3	158.9	0	0	0	0	0	113.6
129	S	35.8	Very low	34.6	Very low	119 Å²	119	134.7 Å²	134.7	83%	0.832	81%	0.814	S	S	*	*			trans	-83.5	-165.4	175.6	-47.2	0	0	0	0	111.8
130	P	55.9	Low	35	Very low	117 Å²	117	137.6 Å²	137.6	76%	0.76	82%	0.82	S	S	*	*				-122.1	163.8	-110.6	34.9	-14.7	0	0	0	114
131	S	31.3	Very low	35	Very low	115 Å²	115	135.7 Å²	135.7	80%	0.804	82%	0.819	S	S	*	*			trans	169.6	156.2	162.2	22.7	0	0	0	0	108.5
132	S	32.8	Very low	34.8	Very low	104 Å²	104	136 Å²	136	73%	0.727	82%	0.819	S	S	*	*			cis	-176.4	143.1	-18.7	39.5	0	0	0	0	103.8	S134	S132-S134 PolarHBondContact O-N 2.95Å
133	I	37.8	Very low	34.3	Very low	181 Å²	181	136.4 Å²	136.4	93%	0.928	82%	0.824	S	S	*	*			trans	-79	120.8	-178.4	-55.7	164.3	0	0	0	107.9
134	S	30.7	Very low	34.6	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	81%	0.812	S	S	*	*			trans	-148.4	125.5	155.6	57.8	0	0	0	0	111.5	S132	S132-S134 PolarHBondContact O-N 2.95Å
135	S	37.8	Very low	34.6	Very low	113 Å²	113	135.9 Å²	135.9	79%	0.79	82%	0.818	S	S	*	*			trans	-74	135.9	172.6	41.3	0	0	0	0	111.5
136	V	31.3	Very low	34.6	Very low	137 Å²	137	138.8 Å²	138.8	83%	0.83	82%	0.82	S	S	*	*			trans	-143.3	127.9	156.7	-167	0	0	0	0	109.9
137	N	35.3	Very low	35	Very low	149 Å²	149	135.3 Å²	135.3	80%	0.797	82%	0.815	S	S	*	*			trans	-54.5	147.2	169.4	-67.4	-30.1	0	0	0	112.5
138	T	32.9	Very low	35.2	Very low	145 Å²	145	132.5 Å²	132.5	89%	0.89	81%	0.81	S	S	*	*			trans	-150.7	141.7	138	-40.3	0	0	0	0	111.3
139	E	30.7	Very low	35.9	Very low	180 Å²	180	135.3 Å²	135.3	84%	0.841	81%	0.811	S	S	*	*			trans	-81	164.9	-162.2	-59.9	175.3	140.6	0	0	114.5
140	L	40.2	Very low	35.8	Very low	165 Å²	165	136.7 Å²	136.7	86%	0.864	81%	0.809	S	S	*	*			trans	-55.1	143.7	165.6	-76.2	120.6	0	0	0	112.5
141	S	32.1	Very low	35.1	Very low	124 Å²	124	139.6 Å²	139.6	87%	0.867	81%	0.812	S	S	*	*			trans	-143.8	124.7	154	-82.8	0	0	0	0	111.1
142	T	33.2	Very low	35.4	Very low	125 Å²	125	141.7 Å²	141.7	77%	0.767	81%	0.811	S	S	*	*			trans	-86.1	162.1	179.1	40.3	0	0	0	0	113.3
143	C	31.7	Very low	35.5	Very low	128 Å²	128	144 Å²	144	87%	0.865	81%	0.814	S	S	*	*			trans	111.9	139.6	157.2	-80.6	0	0	0	0	114.4
144	A	36.5	Very low	36	Very low	74 Å²	74	143.6 Å²	143.6	61%	0.612	81%	0.808	S	S	*	*			cis	-176.5	136.8	-15.5	0	0	0	0	0	104.8
145	M	33.1	Very low	36.6	Very low	187 Å²	187	147.2 Å²	147.2	92%	0.921	81%	0.81	S	S	*	*			trans	-143.1	146.9	155.6	-82.5	-57.4	147.3	0	0	110.6
146	K	34	Very low	37.3	Very low	186 Å²	186	147.2 Å²	147.2	81%	0.809	81%	0.805	S	S	*	*			trans	-68.9	162.9	-151.9	-68.6	168.9	176.3	175.6	0	116.7
147	P	39	Very low	38.1	Very low	122 Å²	122	146 Å²	146	79%	0.792	80%	0.798	S	S	*	*			trans	-81.1	128.8	175.9	32.6	-30.1	0	0	0	111
148	V	36.9	Very low	38.7	Very low	128 Å²	128	145.1 Å²	145.1	78%	0.776	79%	0.79	S	S	*	*			trans	-101.6	113.1	162.3	175.5	0	0	0	0	107	L150	V148-L150 HydrophobicContact CG1-CD1 4.36Å; V148-L150 PolarHBondContact O-N 2.98Å
149	V	44.5	Very low	39.7	Very low	135 Å²	135	140.9 Å²	140.9	82%	0.818	77%	0.766	S	S	*	*			trans	-76.5	115.6	166.4	177.8	0	0	0	0	107
150	L	34.6	Very low	40.8	Very low	148 Å²	148	139 Å²	139	78%	0.775	76%	0.762	S	S	*	*			trans	-135	107.3	163.9	-129.8	142.5	0	0	0	108.8	V148 M152	V148-L150 HydrophobicContact CG1-CD1 4.36Å; V148-L150 PolarHBondContact O-N 2.98Å; L150-M152 PolarHBondContact O-N 3.43Å
151	H	40.8	Very low	41.5	Very low	179 Å²	179	136.1 Å²	136.1	83%	0.829	75%	0.746	S	S	*	*			trans	-76.5	108.9	177.4	-156	-90.1	0	0	0	108
152	M	37.1	Very low	43.1	Very low	158 Å²	158	133.1 Å²	133.1	78%	0.778	72%	0.723	S	S	*	*			trans	-151.6	107.6	158.8	-88.9	-133.5	166.7	0	0	111.1	L150	L150-M152 PolarHBondContact O-N 3.43Å
153	L	34.9	Very low	44.7	Very low	152 Å²	152	131.7 Å²	131.7	80%	0.796	71%	0.71	S	S	*	*			trans	39.9	111	132.4	-73.4	148.3	0	0	0	117.9	K155	L153-K155 PolarHBondContact O-N 2.96Å
154	H	48.9	Very low	46.6	Very low	174 Å²	174	132.1 Å²	132.1	81%	0.806	70%	0.7	S	S	*	*			trans	-32.7	118.4	158	-121.8	-108.4	0	0	0	113.2	T156	H154-T156 PolarHBondContact ND1-OG1 3.43Å
155	K	42.5	Very low	48.5	Very low	183 Å²	183	134.7 Å²	134.7	80%	0.796	70%	0.697	S	S	*	*			trans	-149.6	73.7	146.5	-124.6	179.6	-174.5	-179.5	0	108.8	L153 T157	L153-K155 PolarHBondContact O-N 2.96Å; K155-T157 PolarHBondContact O-N 3.22Å; K155-T157 PolarHBondContact O-OG1 2.93Å
156	T	53.7	Low	50.6	Low	112 Å²	112	130.5 Å²	130.5	69%	0.687	68%	0.678	S	S	*	*			trans	-54.7	94	154.1	-3.9	0	0	0	0	106.8	H154	H154-T156 PolarHBondContact ND1-OG1 3.43Å
157	T	47	Very low	52.8	Low	111 Å²	111	124.8 Å²	124.8	68%	0.681	66%	0.658	S	S	*	*			trans	-112.3	54.8	163.7	-27.9	0	0	0	0	106.4	K155 S159	K155-T157 PolarHBondContact O-N 3.22Å; K155-T157 PolarHBondContact O-OG1 2.93Å; T157-S159 VanDerWaalsContact C-N 3.34Å; T157-S159 PolarHBondContact O-N 3.48Å
158	Q	48.6	Very low	54.8	Low	132 Å²	132	121.8 Å²	121.8	62%	0.617	64%	0.644	S	S	*	*			trans	-74.4	103.9	144.5	-83.5	-169.5	-14.1	0	0	104.2
159	S	52.7	Low	56.9	Low	55 Å²	55	121.3 Å²	121.3	39%	0.385	64%	0.637	S	S	.	*			trans	-53.9	140.5	166.6	45	0	0	0	0	108.7	T157 L161 T162	T157-S159 VanDerWaalsContact C-N 3.34Å; T157-S159 PolarHBondContact O-N 3.48Å; S159-L161 PolarHBondContact O-N 3.48Å; S159-T162 PolarHBondContact N-OG1 2.92Å; S159-T162 PolarHBondContact O-N 3.29Å; S159-T162 PolarHBondContact O-OG1 3.36Å; S159-T162 PolarHBondContact OG-OG1 3.39Å
160	D	54.7	Low	58.8	Low	141 Å²	141	120.7 Å²	120.7	75%	0.754	63%	0.625	S	S	*	*	H	α-helix	trans	-49.6	-31.4	169.9	-69.7	-41.8	0	0	0	111.2	T162 L163 E164	D160-T162 VanDerWaalsContact C-N 3.27Å; D160-T162 PolarHBondContact O-N 3.45Å; D160-L163 PolarHBondContact O-N 2.87Å; D160-E164 WeakPolarHBondContact O-CB 3.45Å; D160-E164 PolarHBondContact O-N 2.9Å
161	L	55.7	Low	61.3	Low	104 Å²	104	118.3 Å²	118.3	55%	0.545	61%	0.613	S	S	.	*	H	α-helix	trans	-57.4	-27.3	173.3	-155.7	79.5	0	0	0	115.2	S159 K165	S159-L161 PolarHBondContact O-N 3.48Å; L161-K165 WeakPolarHBondContact O-CB 3.38Å; L161-K165 WeakPolarHBondContact O-CD 3.37Å; L161-K165 WeakPolarHBondContact O-CG 3.43Å; L161-K165 PolarHBondContact O-N 3.17Å
162	T	64.1	Low	63.6	Low	61 Å²	61	112.9 Å²	112.9	37%	0.374	60%	0.595	S	S	.	*	H	α-helix	trans	-85.7	-32.7	177.8	23.3	0	0	0	0	112.6	S159 D160 L166	S159-T162 PolarHBondContact N-OG1 2.92Å; S159-T162 PolarHBondContact O-N 3.29Å; S159-T162 PolarHBondContact O-OG1 3.36Å; S159-T162 PolarHBondContact OG-OG1 3.39Å; D160-T162 VanDerWaalsContact C-N 3.27Å; D160-T162 PolarHBondContact O-N 3.45Å; T162-L166 WeakPolarHBondContact O-CG 3.36Å; T162-L166 PolarHBondContact O-N 2.97Å
163	L	67.4	Low	66	Low	95 Å²	95	112.4 Å²	112.4	50%	0.497	59%	0.588	S	S	.	*	H	α-helix	trans	-73.8	-43.6	176.2	-161.3	75.7	0	0	0	110.3	D160 K165 L166 T167	D160-L163 PolarHBondContact O-N 2.87Å; L163-K165 VanDerWaalsContact C-N 3.33Å; L163-K165 PolarHBondContact O-N 3.3Å; L163-L166 WeakPolarHBondContact O-CB 3.47Å; L163-L166 PolarHBondContact O-N 2.82Å; L163-L166 VanDerWaalsContact O-N 3.07Å; L163-T167 PolarHBondContact O-N 3.12Å; L163-T167 PolarHBondContact O-OG1 3.16Å
164	E	72.4	Confident	68.6	Low	138 Å²	138	109 Å²	109	65%	0.645	57%	0.571	S	S	*	*	H	α-helix	trans	-62.5	-38	177.4	-161.4	176.1	-156	0	0	112.2	D160 T167 A168	D160-E164 WeakPolarHBondContact O-CB 3.45Å; D160-E164 PolarHBondContact O-N 2.9Å; E164-T167 PolarHBondContact O-N 3.43Å; E164-A168 WeakPolarHBondContact O-CB 3.42Å; E164-A168 PolarHBondContact O-N 2.86Å
165	K	76.8	Confident	70.6	Confident	127 Å²	127	103 Å²	103	55%	0.552	55%	0.549	S	S	*	.	H	α-helix	trans	-64.2	-38.9	171.5	-80.5	176	-176.5	179.4	0	112.9	L161 L163 L169	L161-K165 WeakPolarHBondContact O-CB 3.38Å; L161-K165 WeakPolarHBondContact O-CD 3.37Å; L161-K165 WeakPolarHBondContact O-CG 3.43Å; L161-K165 PolarHBondContact O-N 3.17Å; L163-K165 VanDerWaalsContact C-N 3.33Å; L163-K165 PolarHBondContact O-N 3.3Å; K165-L169 WeakPolarHBondContact O-CB 3.35Å; K165-L169 WeakPolarHBondContact O-CD1 3.23Å; K165-L169 WeakPolarHBondContact O-CG 3.48Å; K165-L169 PolarHBondContact O-N 3.49Å
166	L	76.1	Confident	72.9	Confident	100 Å²	100	97.7 Å²	97.7	52%	0.524	53%	0.529	S	S	.	.	H	α-helix	trans	-67.4	-43.9	176.5	-76.6	167.8	0	0	0	111.1	T162 L163 A168 L169 E170	T162-L166 WeakPolarHBondContact O-CG 3.36Å; T162-L166 PolarHBondContact O-N 2.97Å; L163-L166 WeakPolarHBondContact O-CB 3.47Å; L163-L166 PolarHBondContact O-N 2.82Å; L163-L166 VanDerWaalsContact O-N 3.07Å; L166-A168 PolarHBondContact O-N 2.86Å; L166-L169 PolarHBondContact O-N 2.95Å; L166-E170 WeakPolarHBondContact O-CB 3.34Å; L166-E170 PolarHBondContact O-N 3.44Å
167	T	80.2	Confident	74.7	Confident	65 Å²	65	96.1 Å²	96.1	40%	0.399	52%	0.516	S	S	.	.	H	α-helix	trans	-64.2	-39.5	176.1	-45.8	0	0	0	0	111.8	L163 E164 E170 N171	L163-T167 PolarHBondContact O-N 3.12Å; L163-T167 PolarHBondContact O-OG1 3.16Å; E164-T167 PolarHBondContact O-N 3.43Å; T167-E170 PolarHBondContact O-N 3.3Å; T167-N171 WeakPolarHBondContact O-CB 3.38Å; T167-N171 VanDerWaalsContact O-CG 3.24Å; T167-N171 PolarHBondContact O-N 2.79Å; T167-N171 PolarHBondContact O-ND2 3.23Å
168	A	80.2	Confident	76.8	Confident	60 Å²	60	97.1 Å²	97.1	50%	0.496	51%	0.513	S	S	.	.	H	α-helix	trans	-64.9	-40.5	174.6	0	0	0	0	0	112.5	E164 L166 S172	E164-A168 WeakPolarHBondContact O-CB 3.42Å; E164-A168 PolarHBondContact O-N 2.86Å; L166-A168 PolarHBondContact O-N 2.86Å; A168-S172 WeakPolarHBondContact O-CB 3.49Å; A168-S172 PolarHBondContact O-N 3.03Å
169	L	83	Confident	78.9	Confident	118 Å²	118	97.1 Å²	97.1	62%	0.618	51%	0.511	S	S	*	.	H	α-helix	trans	-64	-41.1	173.4	-86.2	160.1	0	0	0	111.9	K165 L166 S172 K173	K165-L169 WeakPolarHBondContact O-CB 3.35Å; K165-L169 WeakPolarHBondContact O-CD1 3.23Å; K165-L169 WeakPolarHBondContact O-CG 3.48Å; K165-L169 PolarHBondContact O-N 3.49Å; L166-L169 PolarHBondContact O-N 2.95Å; L169-S172 PolarHBondContact O-N 3.02Å; L169-K173 VanDerWaalsContact O-CB 3.27Å; L169-K173 WeakPolarHBondContact O-CB 3.42Å; L169-K173 PolarHBondContact O-N 3.01Å
170	E	84.4	Confident	80.8	Confident	121 Å²	121	101.2 Å²	101.2	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-65.6	-44.7	177.3	-169.3	167.9	-156.5	0	0	111.6	L166 T167 K173 N174	L166-E170 WeakPolarHBondContact O-CB 3.34Å; L166-E170 PolarHBondContact O-N 3.44Å; T167-E170 PolarHBondContact O-N 3.3Å; E170-K173 PolarHBondContact O-N 3.18Å; E170-N174 WeakPolarHBondContact O-CB 3.48Å; E170-N174 VanDerWaalsContact O-CG 3.3Å; E170-N174 PolarHBondContact O-N 3.46Å
171	N	86.4	Confident	82.6	Confident	99 Å²	99	99.5 Å²	99.5	53%	0.529	51%	0.509	S	S	.	.	H	α-helix	trans	-64.2	-41.7	174.8	-72	-20.5	0	0	0	112.4	T167 K173 N174 S175	T167-N171 WeakPolarHBondContact O-CB 3.38Å; T167-N171 VanDerWaalsContact O-CG 3.24Å; T167-N171 PolarHBondContact O-N 2.79Å; T167-N171 PolarHBondContact O-ND2 3.23Å; N171-K173 VanDerWaalsContact C-N 3.34Å; N171-N174 PolarHBondContact O-N 3.47Å; N171-S175 WeakPolarHBondContact O-CB 3.36Å; N171-S175 PolarHBondContact O-N 3Å
172	S	89.2	Confident	84.5	Confident	65 Å²	65	96 Å²	96	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-62.3	-43.4	174.5	-174.1	0	0	0	0	111.2	A168 L169 S175 D176	A168-S172 WeakPolarHBondContact O-CB 3.49Å; A168-S172 PolarHBondContact O-N 3.03Å; L169-S172 PolarHBondContact O-N 3.02Å; S172-S175 PolarHBondContact O-N 2.83Å; S172-D176 PolarHBondContact O-N 3.45Å
173	K	87.1	Confident	85.9	Confident	147 Å²	147	101.7 Å²	101.7	64%	0.639	51%	0.513	S	S	*	.	H	α-helix	trans	-66.3	-40.9	178.8	-170.8	-180	177.9	-176.5	0	111.5	L169 E170 N171 D176 L177	L169-K173 VanDerWaalsContact O-CB 3.27Å; L169-K173 WeakPolarHBondContact O-CB 3.42Å; L169-K173 PolarHBondContact O-N 3.01Å; E170-K173 PolarHBondContact O-N 3.18Å; N171-K173 VanDerWaalsContact C-N 3.34Å; K173-D176 PolarHBondContact O-N 2.99Å; K173-L177 WeakPolarHBondContact O-CB 3.17Å; K173-L177 PolarHBondContact O-N 3.08Å
174	N	89.1	Confident	87.2	Confident	81 Å²	81	101.6 Å²	101.6	43%	0.433	51%	0.512	S	S	.	.	H	α-helix	trans	-64.4	-43.3	175.5	-74.5	-8.4	0	0	0	111.4	E170 N171 D176 L177 E178	E170-N174 WeakPolarHBondContact O-CB 3.48Å; E170-N174 VanDerWaalsContact O-CG 3.3Å; E170-N174 PolarHBondContact O-N 3.46Å; N171-N174 PolarHBondContact O-N 3.47Å; N174-D176 VanDerWaalsContact C-N 3.34Å; N174-D176 PolarHBondContact O-N 3.48Å; N174-L177 WeakPolarHBondContact O-CB 3.36Å; N174-L177 PolarHBondContact O-N 3.16Å; N174-L177 VanDerWaalsContact O-N 3.11Å; N174-E178 PolarHBondContact O-N 3.31Å
175	S	90.6	Very high	88.2	Confident	47 Å²	47	99 Å²	99	33%	0.329	50%	0.502	S	S	.	.	H	α-helix	trans	-61.8	-39.9	174.6	-176.3	0	0	0	0	112.6	N171 S172 L177 K179	N171-S175 WeakPolarHBondContact O-CB 3.36Å; N171-S175 PolarHBondContact O-N 3Å; S172-S175 PolarHBondContact O-N 2.83Å; S175-L177 VanDerWaalsContact C-N 3.29Å; S175-L177 PolarHBondContact O-N 3.05Å; S175-K179 VanDerWaalsContact O-CG 3.32Å; S175-K179 WeakPolarHBondContact O-CG 3.35Å; S175-K179 PolarHBondContact O-N 3.33Å
176	D	91.3	Very high	89.1	Confident	73 Å²	73	97.3 Å²	97.3	39%	0.39	50%	0.499	S	S	.	.	H	α-helix	trans	-69.2	-29.7	175.3	-76.3	-12.6	0	0	0	112.5	S172 K173 N174 K179 K180	S172-D176 PolarHBondContact O-N 3.45Å; K173-D176 PolarHBondContact O-N 2.99Å; N174-D176 VanDerWaalsContact C-N 3.34Å; N174-D176 PolarHBondContact O-N 3.48Å; D176-K179 IonicContact OD1-NZ 3.67Å; D176-K180 WeakPolarHBondContact O-CB 3.33Å; D176-K180 VanDerWaalsContact O-CG 3.25Å; D176-K180 WeakPolarHBondContact O-CG 3.26Å; D176-K180 PolarHBondContact O-N 3.21Å; D176-K180 VanDerWaalsContact O-N 3.1Å
177	L	91.5	Very high	90	Very high	78 Å²	78	97.7 Å²	97.7	41%	0.408	50%	0.501	S	S	.	.	H	α-helix	trans	-71.1	-46.4	175.7	-151.3	147.4	0	0	0	110.4	K173 N174 S175 K179 K180 E181	K173-L177 WeakPolarHBondContact O-CB 3.17Å; K173-L177 PolarHBondContact O-N 3.08Å; N174-L177 WeakPolarHBondContact O-CB 3.36Å; N174-L177 PolarHBondContact O-N 3.16Å; N174-L177 VanDerWaalsContact O-N 3.11Å; S175-L177 VanDerWaalsContact C-N 3.29Å; S175-L177 PolarHBondContact O-N 3.05Å; L177-K179 VanDerWaalsContact C-N 3.34Å; L177-K179 PolarHBondContact O-N 2.88Å; L177-K180 CarbonylContact O-C 3.6Å; L177-K180 WeakPolarHBondContact O-CB 3.45Å; L177-K180 PolarHBondContact O-N 3.27Å; L177-K180 VanDerWaalsContact O-N 3.08Å; L177-E181 HydrophobicContact CD2-CG 4.06Å; L177-E181 WeakPolarHBondContact CD2-OE1 3.47Å; L177-E181 WeakPolarHBondContact O-CG 3.39Å; L177-E181 PolarHBondContact O-N 2.93Å
178	E	91.6	Very high	90.7	Very high	132 Å²	132	99.4 Å²	99.4	62%	0.617	51%	0.507	S	S	*	.	H	α-helix	trans	-58.6	-41.8	173.5	-74.2	177.7	172.2	0	0	112.4	N174 K180 E181 G182	N174-E178 PolarHBondContact O-N 3.31Å; E178-K180 VanDerWaalsContact C-N 3.33Å; E178-K180 PolarHBondContact O-N 3.47Å; E178-E181 PolarHBondContact O-N 2.7Å; E178-G182 PolarHBondContact O-N 2.98Å
179	K	92.1	Very high	91.5	Very high	132 Å²	132	103.8 Å²	103.8	57%	0.574	51%	0.511	S	S	*	.	H	α-helix	trans	-63.6	-38.7	174.9	-72.4	170.5	-165.3	158.8	0	112.2	S175 D176 L177 R183	S175-K179 VanDerWaalsContact O-CG 3.32Å; S175-K179 WeakPolarHBondContact O-CG 3.35Å; S175-K179 PolarHBondContact O-N 3.33Å; D176-K179 IonicContact OD1-NZ 3.67Å; L177-K179 VanDerWaalsContact C-N 3.34Å; L177-K179 PolarHBondContact O-N 2.88Å; K179-R183 WeakPolarHBondContact O-CB 3.36Å; K179-R183 PolarHBondContact O-N 3.48Å
180	K	92.4	Very high	92.1	Very high	141 Å²	141	100.5 Å²	100.5	61%	0.613	50%	0.501	S	S	*	.	H	α-helix	trans	-69	-41.3	176.7	-76.4	172.7	-176.3	175.1	0	111	D176 L177 E178 R183 I184	D176-K180 WeakPolarHBondContact O-CB 3.33Å; D176-K180 VanDerWaalsContact O-CG 3.25Å; D176-K180 WeakPolarHBondContact O-CG 3.26Å; D176-K180 PolarHBondContact O-N 3.21Å; D176-K180 VanDerWaalsContact O-N 3.1Å; L177-K180 CarbonylContact O-C 3.6Å; L177-K180 WeakPolarHBondContact O-CB 3.45Å; L177-K180 PolarHBondContact O-N 3.27Å; L177-K180 VanDerWaalsContact O-N 3.08Å; E178-K180 VanDerWaalsContact C-N 3.33Å; E178-K180 PolarHBondContact O-N 3.47Å; K180-R183 PolarHBondContact O-N 2.86Å; K180-I184 VanDerWaalsContact O-CG1 3.25Å; K180-I184 WeakPolarHBondContact O-CG1 3.49Å; K180-I184 PolarHBondContact O-N 2.96Å
181	E	93.8	Very high	92.6	Very high	105 Å²	105	98.3 Å²	98.3	49%	0.491	49%	0.493	S	S	.	.	H	α-helix	trans	-61.1	-47.7	174.3	-73.4	177.1	162.5	0	0	111.3	L177 E178 R183 I184 D185	L177-E181 HydrophobicContact CD2-CG 4.06Å; L177-E181 WeakPolarHBondContact CD2-OE1 3.47Å; L177-E181 WeakPolarHBondContact O-CG 3.39Å; L177-E181 PolarHBondContact O-N 2.93Å; E178-E181 PolarHBondContact O-N 2.7Å; E181-R183 VanDerWaalsContact C-N 3.3Å; E181-R183 PolarHBondContact O-N 3.35Å; E181-I184 WeakPolarHBondContact O-CA 3.46Å; E181-I184 WeakPolarHBondContact O-CB 3.32Å; E181-I184 PolarHBondContact O-N 3.44Å; E181-D185 PolarHBondContact O-N 3.18Å
182	G	94	Very high	93.1	Very high	30 Å²	30	97.7 Å²	97.7	31%	0.309	50%	0.496	S	S	.	.	H	α-helix	trans	-59.3	-39.2	174.9	0	0	0	0	0	113.1	E178 D185 D186	E178-G182 PolarHBondContact O-N 2.98Å; G182-D185 PolarHBondContact O-N 3.01Å; G182-D186 PolarHBondContact O-N 3.19Å
183	R	94.4	Very high	93.4	Very high	181 Å²	181	98 Å²	98	68%	0.683	49%	0.49	S	S	*	.	H	α-helix	trans	-67.9	-35.9	174.4	-171.6	172.8	-177.8	176.2	0.7	112.5	K179 K180 E181 L187	K179-R183 WeakPolarHBondContact O-CB 3.36Å; K179-R183 PolarHBondContact O-N 3.48Å; K180-R183 PolarHBondContact O-N 2.86Å; E181-R183 VanDerWaalsContact C-N 3.3Å; E181-R183 PolarHBondContact O-N 3.35Å; R183-L187 HydrophobicContact CG-CD1 4.3Å; R183-L187 WeakPolarHBondContact O-CB 3.45Å; R183-L187 VanDerWaalsContact O-CG 3.25Å; R183-L187 WeakPolarHBondContact O-CG 3.25Å; R183-L187 PolarHBondContact O-N 3.43Å
184	I	94.5	Very high	93.9	Very high	94 Å²	94	95.7 Å²	95.7	48%	0.482	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-45.6	173.4	-71.8	163.2	0	0	0	109.3	K180 E181 D186 L187 L188	K180-I184 VanDerWaalsContact O-CG1 3.25Å; K180-I184 WeakPolarHBondContact O-CG1 3.49Å; K180-I184 PolarHBondContact O-N 2.96Å; E181-I184 WeakPolarHBondContact O-CA 3.46Å; E181-I184 WeakPolarHBondContact O-CB 3.32Å; E181-I184 PolarHBondContact O-N 3.44Å; I184-D186 PolarHBondContact O-N 3.32Å; I184-L187 PolarHBondContact O-N 3.43Å; I184-L188 HydrophobicContact CG2-CD1 3.87Å; I184-L188 HydrophobicContact CG2-CG 4.26Å; I184-L188 WeakPolarHBondContact O-CB 3.49Å; I184-L188 VanDerWaalsContact O-CG 3.28Å; I184-L188 WeakPolarHBondContact O-CG 3.36Å; I184-L188 PolarHBondContact O-N 3.28Å
185	D	94.6	Very high	94.2	Very high	82 Å²	82	99.4 Å²	99.4	44%	0.439	49%	0.492	S	S	.	.	H	α-helix	trans	-62.5	-42.4	178.2	-74.1	-16.1	0	0	0	112.8	E181 G182 L188 R189	E181-D185 PolarHBondContact O-N 3.18Å; G182-D185 PolarHBondContact O-N 3.01Å; D185-L188 PolarHBondContact O-N 3.46Å; D185-R189 WeakPolarHBondContact O-CG 3.33Å; D185-R189 PolarHBondContact O-N 2.85Å
186	D	94.8	Very high	94.5	Very high	92 Å²	92	103.9 Å²	103.9	49%	0.492	50%	0.502	S	S	.	.	H	α-helix	trans	-61	-44.3	174	-77.1	-26.5	0	0	0	112	G182 I184 R189 A190	G182-D186 PolarHBondContact O-N 3.19Å; I184-D186 PolarHBondContact O-N 3.32Å; D186-R189 PolarHBondContact O-N 3.29Å; D186-R189 IonicContact OD1-CZ 3.59Å; D186-R189 IonicContact OD1-NE 2.8Å; D186-R189 IonicContact OD1-NH2 3.42Å; D186-R189 PolarHBondContact OD1-NH2 3.36Å; D186-A190 WeakPolarHBondContact O-CB 3.44Å; D186-A190 PolarHBondContact O-N 2.94Å
187	L	94.9	Very high	94.8	Very high	109 Å²	109	104.7 Å²	104.7	57%	0.571	50%	0.503	S	S	*	.	H	α-helix	trans	-66	-37.7	176.8	-73.3	172.1	0	0	0	111.9	R183 I184 A190 N191	R183-L187 HydrophobicContact CG-CD1 4.3Å; R183-L187 WeakPolarHBondContact O-CB 3.45Å; R183-L187 VanDerWaalsContact O-CG 3.25Å; R183-L187 WeakPolarHBondContact O-CG 3.25Å; R183-L187 PolarHBondContact O-N 3.43Å; I184-L187 PolarHBondContact O-N 3.43Å; L187-A190 PolarHBondContact O-N 2.96Å; L187-N191 WeakPolarHBondContact O-CB 3.48Å; L187-N191 PolarHBondContact O-N 2.86Å
188	L	95.7	Very high	95	Very high	100 Å²	100	105.1 Å²	105.1	52%	0.524	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-44.7	174.7	-73.7	172.6	0	0	0	111.1	I184 D185 A190 N191 C192	I184-L188 HydrophobicContact CG2-CD1 3.87Å; I184-L188 HydrophobicContact CG2-CG 4.26Å; I184-L188 WeakPolarHBondContact O-CB 3.49Å; I184-L188 VanDerWaalsContact O-CG 3.28Å; I184-L188 WeakPolarHBondContact O-CG 3.36Å; I184-L188 PolarHBondContact O-N 3.28Å; D185-L188 PolarHBondContact O-N 3.46Å; L188-A190 PolarHBondContact O-N 2.95Å; L188-N191 PolarHBondContact O-N 2.85Å; L188-C192 PolarHBondContact O-N 2.84Å; L188-C192 PolarHBondContact O-SG 3.23Å; L188-C192 VanDerWaalsContact O-SG 3.4Å
189	R	95.9	Very high	95.3	Very high	153 Å²	153	102.5 Å²	102.5	58%	0.577	50%	0.495	S	S	*	.	H	α-helix	trans	-58.9	-47.1	173.5	-76.4	-171.8	-78.3	-107.6	4.3	111.7	D185 D186 N191 C192 E193	D185-R189 WeakPolarHBondContact O-CG 3.33Å; D185-R189 PolarHBondContact O-N 2.85Å; D186-R189 PolarHBondContact O-N 3.29Å; D186-R189 IonicContact OD1-CZ 3.59Å; D186-R189 IonicContact OD1-NE 2.8Å; D186-R189 IonicContact OD1-NH2 3.42Å; D186-R189 PolarHBondContact OD1-NH2 3.36Å; R189-N191 VanDerWaalsContact C-N 3.33Å; R189-N191 PolarHBondContact O-N 3.47Å; R189-C192 PolarHBondContact O-N 3.4Å; R189-E193 PolarHBondContact O-N 2.61Å
190	A	95.6	Very high	95.5	Very high	48 Å²	48	99.8 Å²	99.8	40%	0.397	48%	0.484	S	S	.	.	H	α-helix	trans	-62.3	-39.4	176.9	0	0	0	0	0	112.2	D186 L187 L188 E193 L194	D186-A190 WeakPolarHBondContact O-CB 3.44Å; D186-A190 PolarHBondContact O-N 2.94Å; L187-A190 PolarHBondContact O-N 2.96Å; L188-A190 PolarHBondContact O-N 2.95Å; A190-E193 PolarHBondContact O-N 2.64Å; A190-L194 WeakPolarHBondContact O-CG 3.36Å; A190-L194 PolarHBondContact O-N 3.26Å
191	N	95.8	Very high	95.7	Very high	76 Å²	76	100 Å²	100	41%	0.406	49%	0.488	S	S	.	.	H	α-helix	trans	-64.7	-42.2	176.5	-157.9	-82.9	0	0	0	111.7	L187 L188 R189 L194 R195	L187-N191 WeakPolarHBondContact O-CB 3.48Å; L187-N191 PolarHBondContact O-N 2.86Å; L188-N191 PolarHBondContact O-N 2.85Å; R189-N191 VanDerWaalsContact C-N 3.33Å; R189-N191 PolarHBondContact O-N 3.47Å; N191-L194 PolarHBondContact O-N 3.01Å; N191-R195 VanDerWaalsContact O-CG 3.29Å; N191-R195 WeakPolarHBondContact O-CG 3.31Å; N191-R195 PolarHBondContact O-N 2.96Å; N191-R195 PolarHBondContact OD1-NE 3.26Å
192	C	96.6	Very high	95.8	Very high	86 Å²	86	100.4 Å²	100.4	58%	0.581	49%	0.49	S	S	*	.	H	α-helix	trans	-60.6	-43	174.3	-73.9	0	0	0	0	112.1	L188 R189 R195 R196	L188-C192 PolarHBondContact O-N 2.84Å; L188-C192 PolarHBondContact O-SG 3.23Å; L188-C192 VanDerWaalsContact O-SG 3.4Å; R189-C192 PolarHBondContact O-N 3.4Å; C192-R195 PolarHBondContact O-N 3.5Å; C192-R196 PolarHBondContact O-N 3.13Å
193	E	96.1	Very high	95.9	Very high	71 Å²	71	105.9 Å²	105.9	33%	0.332	50%	0.501	S	S	.	.	H	α-helix	trans	-67.1	-42.8	177.6	178.4	53.5	-155.1	0	0	112.1	R189 A190 R195 R196 Q197	R189-E193 PolarHBondContact O-N 2.61Å; A190-E193 PolarHBondContact O-N 2.64Å; E193-R195 VanDerWaalsContact C-N 3.33Å; E193-R195 PolarHBondContact O-N 2.88Å; E193-R196 WeakPolarHBondContact O-CB 3.41Å; E193-R196 PolarHBondContact O-N 3.39Å; E193-R196 IonicContact OE1-CZ 2.91Å; E193-R196 IonicContact OE1-NE 3.27Å; E193-R196 IonicContact OE1-NH2 2.88Å; E193-R196 PolarHBondContact OE1-NH2 2.89Å; E193-R196 IonicContact OE2-CZ 2.8Å; E193-R196 IonicContact OE2-NE 2.86Å; E193-R196 PolarHBondContact OE2-NE 3.29Å; E193-R196 IonicContact OE2-NH2 3.89Å; E193-R196 PolarHBondContact OE2-NH2 3.17Å; E193-Q197 WeakPolarHBondContact O-CG 3.41Å; E193-Q197 PolarHBondContact O-N 3.06Å; E193-Q197 PolarHBondContact OE1-NE2 3.47Å
194	L	96.3	Very high	96	Very high	99 Å²	99	100.4 Å²	100.4	52%	0.518	48%	0.484	S	S	.	.	H	α-helix	trans	-61.5	-40	174.4	-73.8	172.8	0	0	0	112.1	A190 N191 Q197 I198	A190-L194 WeakPolarHBondContact O-CG 3.36Å; A190-L194 PolarHBondContact O-N 3.26Å; N191-L194 PolarHBondContact O-N 3.01Å; L194-Q197 PolarHBondContact O-N 3.25Å; L194-I198 WeakPolarHBondContact O-CG1 3.4Å; L194-I198 PolarHBondContact O-N 3.49Å
195	R	96.6	Very high	96.1	Very high	158 Å²	158	100.6 Å²	100.6	60%	0.596	49%	0.485	S	S	*	.	H	α-helix	trans	-60.6	-45.7	173.7	-75.1	172.4	-178.4	-88.6	0.8	111.5	N191 C192 E193 Q197 I198 D199	N191-R195 VanDerWaalsContact O-CG 3.29Å; N191-R195 WeakPolarHBondContact O-CG 3.31Å; N191-R195 PolarHBondContact O-N 2.96Å; N191-R195 PolarHBondContact OD1-NE 3.26Å; C192-R195 PolarHBondContact O-N 3.5Å; E193-R195 VanDerWaalsContact C-N 3.33Å; E193-R195 PolarHBondContact O-N 2.88Å; R195-Q197 VanDerWaalsContact C-N 3.29Å; R195-Q197 PolarHBondContact O-N 3.47Å; R195-I198 PolarHBondContact O-N 3.37Å; R195-D199 PolarHBondContact O-N 2.97Å
196	R	96.7	Very high	96.2	Very high	142 Å²	142	101.2 Å²	101.2	54%	0.536	49%	0.486	S	S	.	.	H	α-helix	trans	-59.4	-39.9	175.8	-168.5	-172.2	72	83.6	1.9	112	C192 E193 D199 E200	C192-R196 PolarHBondContact O-N 3.13Å; E193-R196 WeakPolarHBondContact O-CB 3.41Å; E193-R196 PolarHBondContact O-N 3.39Å; E193-R196 IonicContact OE1-CZ 2.91Å; E193-R196 IonicContact OE1-NE 3.27Å; E193-R196 IonicContact OE1-NH2 2.88Å; E193-R196 PolarHBondContact OE1-NH2 2.89Å; E193-R196 IonicContact OE2-CZ 2.8Å; E193-R196 IonicContact OE2-NE 2.86Å; E193-R196 PolarHBondContact OE2-NE 3.29Å; E193-R196 IonicContact OE2-NH2 3.89Å; E193-R196 PolarHBondContact OE2-NH2 3.17Å; R196-D199 PolarHBondContact O-N 2.93Å; R196-E200 PolarHBondContact O-N 3.49Å
197	Q	96.8	Very high	96.3	Very high	89 Å²	89	103.3 Å²	103.3	42%	0.416	49%	0.486	S	S	.	.	H	α-helix	trans	-67.1	-41.9	176.6	-71.1	176.2	15.7	0	0	112.4	E193 L194 R195 E200 Q201	E193-Q197 WeakPolarHBondContact O-CG 3.41Å; E193-Q197 PolarHBondContact O-N 3.06Å; E193-Q197 PolarHBondContact OE1-NE2 3.47Å; L194-Q197 PolarHBondContact O-N 3.25Å; R195-Q197 VanDerWaalsContact C-N 3.29Å; R195-Q197 PolarHBondContact O-N 3.47Å; Q197-E200 PolarHBondContact O-N 3.21Å; Q197-Q201 WeakPolarHBondContact O-CG 3.36Å; Q197-Q201 PolarHBondContact O-N 3.02Å
198	I	96.9	Very high	96.2	Very high	87 Å²	87	104.6 Å²	104.6	45%	0.446	49%	0.485	S	S	.	.	H	α-helix	trans	-60.7	-46.5	174.7	-70.3	167	0	0	0	110.2	L194 R195 E200 Q201 Q202	L194-I198 WeakPolarHBondContact O-CG1 3.4Å; L194-I198 PolarHBondContact O-N 3.49Å; R195-I198 PolarHBondContact O-N 3.37Å; I198-E200 VanDerWaalsContact C-N 3.31Å; I198-E200 PolarHBondContact O-N 2.93Å; I198-Q201 PolarHBondContact O-N 3.36Å; I198-Q202 HydrophobicContact CG2-CG 4.38Å; I198-Q202 WeakPolarHBondContact O-CB 3.46Å; I198-Q202 VanDerWaalsContact O-CG 3.31Å; I198-Q202 WeakPolarHBondContact O-CG 3.47Å; I198-Q202 PolarHBondContact O-N 3.34Å
199	D	96.8	Very high	96.2	Very high	77 Å²	77	104.7 Å²	104.7	41%	0.412	48%	0.481	S	S	.	.	H	α-helix	trans	-60.8	-40.8	178.7	-70.3	-12.4	0	0	0	111.7	R195 R196 Q202 R203	R195-D199 PolarHBondContact O-N 2.97Å; R196-D199 PolarHBondContact O-N 2.93Å; D199-Q202 PolarHBondContact O-N 3.07Å; D199-R203 WeakPolarHBondContact O-CG 3.45Å; D199-R203 PolarHBondContact O-N 3.49Å
200	E	96.6	Very high	96.2	Very high	75 Å²	75	102.6 Å²	102.6	35%	0.35	48%	0.478	S	S	.	.	H	α-helix	trans	-67.7	-42	177.1	-170.4	57.8	-153.5	0	0	112	R196 Q197 I198 Q202 R203 M204	R196-E200 PolarHBondContact O-N 3.49Å; Q197-E200 PolarHBondContact O-N 3.21Å; I198-E200 VanDerWaalsContact C-N 3.31Å; I198-E200 PolarHBondContact O-N 2.93Å; E200-Q202 VanDerWaalsContact C-N 3.31Å; E200-Q202 PolarHBondContact O-N 3.15Å; E200-R203 PolarHBondContact O-N 2.83Å; E200-R203 IonicContact OE2-NH1 2.8Å; E200-R203 PolarHBondContact OE2-NH1 2.94Å; E200-R203 VanDerWaalsContact OE2-NH1 3.13Å; E200-M204 WeakPolarHBondContact O-CG 3.43Å; E200-M204 PolarHBondContact O-N 2.8Å
201	Q	96.1	Very high	96.1	Very high	146 Å²	146	108.4 Å²	108.4	68%	0.682	49%	0.489	S	S	*	.	H	α-helix	trans	-61.9	-39.2	173.7	-74.9	-169.9	-10.2	0	0	111.9	Q197 I198 M204 L205	Q197-Q201 WeakPolarHBondContact O-CG 3.36Å; Q197-Q201 PolarHBondContact O-N 3.02Å; I198-Q201 PolarHBondContact O-N 3.36Å; Q201-M204 PolarHBondContact O-N 3.38Å; Q201-L205 WeakPolarHBondContact O-CB 3.46Å; Q201-L205 PolarHBondContact O-N 3.38Å
202	Q	96.7	Very high	95.9	Very high	114 Å²	114	109.7 Å²	109.7	53%	0.533	50%	0.496	S	S	.	.	H	α-helix	trans	-63.8	-44.4	175.7	-74.6	177.2	1.4	0	0	111.9	I198 D199 E200 M204 L205 E206	I198-Q202 HydrophobicContact CG2-CG 4.38Å; I198-Q202 WeakPolarHBondContact O-CB 3.46Å; I198-Q202 VanDerWaalsContact O-CG 3.31Å; I198-Q202 WeakPolarHBondContact O-CG 3.47Å; I198-Q202 PolarHBondContact O-N 3.34Å; D199-Q202 PolarHBondContact O-N 3.07Å; E200-Q202 VanDerWaalsContact C-N 3.31Å; E200-Q202 PolarHBondContact O-N 3.15Å; Q202-M204 VanDerWaalsContact C-N 3.33Å; Q202-M204 PolarHBondContact O-N 2.79Å; Q202-L205 PolarHBondContact O-N 2.84Å; Q202-E206 PolarHBondContact O-N 3.3Å
203	R	96.6	Very high	95.8	Very high	145 Å²	145	110.7 Å²	110.7	55%	0.547	50%	0.495	S	S	.	.	H	α-helix	trans	-61.7	-41.6	175	-71.9	179.5	-164	143.3	1.5	112.2	D199 E200 E206 R207	D199-R203 WeakPolarHBondContact O-CG 3.45Å; D199-R203 PolarHBondContact O-N 3.49Å; E200-R203 PolarHBondContact O-N 2.83Å; E200-R203 IonicContact OE2-NH1 2.8Å; E200-R203 PolarHBondContact OE2-NH1 2.94Å; E200-R203 VanDerWaalsContact OE2-NH1 3.13Å; R203-E206 PolarHBondContact O-N 3.3Å; R203-R207 WeakPolarHBondContact O-CG 3.38Å; R203-R207 PolarHBondContact O-N 2.87Å; R203-R207 VanDerWaalsContact O-N 3.08Å
204	M	96.3	Very high	95.7	Very high	66 Å²	66	114.2 Å²	114.2	33%	0.325	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-44.8	176.3	-76.9	-61.8	-62.9	0	0	111.5	E200 Q201 Q202 E206 R207 Y208	E200-M204 WeakPolarHBondContact O-CG 3.43Å; E200-M204 PolarHBondContact O-N 2.8Å; Q201-M204 PolarHBondContact O-N 3.38Å; Q202-M204 VanDerWaalsContact C-N 3.33Å; Q202-M204 PolarHBondContact O-N 2.79Å; M204-E206 VanDerWaalsContact C-N 3.3Å; M204-E206 PolarHBondContact O-N 2.87Å; M204-R207 PolarHBondContact O-N 3.43Å; M204-Y208 HydrophobicContact CE-CE2 3.75Å; M204-Y208 WeakPolarHBondContact O-CD2 3.36Å; M204-Y208 PolarHBondContact O-N 3.18Å
205	L	96	Very high	95.6	Very high	97 Å²	97	112.7 Å²	112.7	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-58.4	-42	175.4	-176.1	66.4	0	0	0	111.7	Q201 Q202 Y208 K209	Q201-L205 WeakPolarHBondContact O-CB 3.46Å; Q201-L205 PolarHBondContact O-N 3.38Å; Q202-L205 PolarHBondContact O-N 2.84Å; L205-Y208 PolarHBondContact O-N 2.77Å; L205-K209 WeakPolarHBondContact O-CG 3.42Å; L205-K209 PolarHBondContact O-N 3.01Å
206	E	96.6	Very high	95.4	Very high	96 Å²	96	106.6 Å²	106.6	45%	0.449	49%	0.487	S	S	.	.	H	α-helix	trans	-65	-42.1	178.9	-156	58.3	-149.5	0	0	112.1	Q202 R203 M204 Y208 K209 E210	Q202-E206 PolarHBondContact O-N 3.3Å; R203-E206 PolarHBondContact O-N 3.3Å; M204-E206 VanDerWaalsContact C-N 3.3Å; M204-E206 PolarHBondContact O-N 2.87Å; E206-Y208 VanDerWaalsContact C-N 3.31Å; E206-Y208 PolarHBondContact O-N 3.41Å; E206-K209 WeakPolarHBondContact O-CB 3.39Å; E206-K209 PolarHBondContact O-N 3.27Å; E206-K209 WeakPolarHBondContact OE2-CD 3.33Å; E206-K209 IonicContact OE2-NZ 2.66Å; E206-K209 PolarHBondContact OE2-NZ 3.36Å; E206-K209 VanDerWaalsContact OE2-NZ 3.07Å; E206-E210 PolarHBondContact O-N 3.27Å
207	R	95.9	Very high	95.3	Very high	135 Å²	135	103.8 Å²	103.8	51%	0.509	49%	0.485	S	S	.	.	H	α-helix	trans	-60.4	-39.5	172.5	-70	175.7	-176.9	169.7	2.3	112.4	R203 M204 R211	R203-R207 WeakPolarHBondContact O-CG 3.38Å; R203-R207 PolarHBondContact O-N 2.87Å; R203-R207 VanDerWaalsContact O-N 3.08Å; M204-R207 PolarHBondContact O-N 3.43Å; R207-R211 WeakPolarHBondContact O-CG 3.47Å; R207-R211 PolarHBondContact O-N 2.98Å; R207-R211 VanDerWaalsContact O-N 3.09Å
208	Y	94.8	Very high	95.2	Very high	136 Å²	136	103.5 Å²	103.5	53%	0.533	49%	0.485	S	S	.	.	H	α-helix	trans	-66.7	-41.1	175.8	-74.8	-61.3	0	0	0	111.9	M204 L205 E206 R211 L212	M204-Y208 HydrophobicContact CE-CE2 3.75Å; M204-Y208 WeakPolarHBondContact O-CD2 3.36Å; M204-Y208 PolarHBondContact O-N 3.18Å; L205-Y208 PolarHBondContact O-N 2.77Å; E206-Y208 VanDerWaalsContact C-N 3.31Å; E206-Y208 PolarHBondContact O-N 3.41Å; Y208-R211 PolarHBondContact O-N 3.11Å; Y208-L212 WeakPolarHBondContact O-CB 3.37Å; Y208-L212 PolarHBondContact O-N 2.94Å
209	K	94.4	Very high	95.1	Very high	103 Å²	103	101.5 Å²	101.5	45%	0.448	48%	0.479	S	S	.	.	H	α-helix	trans	-60.9	-44.7	174.5	-71.9	173.4	-175	167	0	112	L205 E206 R211 L212 N213	L205-K209 WeakPolarHBondContact O-CG 3.42Å; L205-K209 PolarHBondContact O-N 3.01Å; E206-K209 WeakPolarHBondContact O-CB 3.39Å; E206-K209 PolarHBondContact O-N 3.27Å; E206-K209 WeakPolarHBondContact OE2-CD 3.33Å; E206-K209 IonicContact OE2-NZ 2.66Å; E206-K209 PolarHBondContact OE2-NZ 3.36Å; E206-K209 VanDerWaalsContact OE2-NZ 3.07Å; K209-R211 PolarHBondContact O-N 3.12Å; K209-L212 PolarHBondContact O-N 3.14Å; K209-N213 WeakPolarHBondContact O-CB 3.19Å; K209-N213 PolarHBondContact O-N 3.49Å
210	E	95.5	Very high	95.1	Very high	109 Å²	109	100.8 Å²	100.8	51%	0.509	47%	0.472	S	S	.	.	H	α-helix	trans	-60.5	-45.2	176.5	-75.1	-178.8	-175.4	0	0	112.1	E206 N213 K214	E206-E210 PolarHBondContact O-N 3.27Å; E210-N213 PolarHBondContact O-N 3.04Å; E210-K214 WeakPolarHBondContact O-CG 3.33Å; E210-K214 PolarHBondContact O-N 3.42Å
211	R	94.9	Very high	95.1	Very high	169 Å²	169	104.5 Å²	104.5	64%	0.638	49%	0.487	S	S	*	.	H	α-helix	trans	-62.5	-44.6	176.5	-74.1	176.8	-179.1	-170.2	-0.1	111.5	R207 Y208 K209 N213 K214 C215	R207-R211 WeakPolarHBondContact O-CG 3.47Å; R207-R211 PolarHBondContact O-N 2.98Å; R207-R211 VanDerWaalsContact O-N 3.09Å; Y208-R211 PolarHBondContact O-N 3.11Å; K209-R211 PolarHBondContact O-N 3.12Å; R211-N213 VanDerWaalsContact C-N 3.34Å; R211-N213 PolarHBondContact O-N 3.38Å; R211-K214 PolarHBondContact O-N 2.84Å; R211-C215 PolarHBondContact O-N 3.28Å
212	L	91.9	Very high	95.1	Very high	104 Å²	104	102 Å²	102	55%	0.545	48%	0.478	S	S	.	.	H	α-helix	trans	-60.9	-44.2	176.6	-177.4	62.3	0	0	0	111	Y208 K209 K214 C215 V216	Y208-L212 WeakPolarHBondContact O-CB 3.37Å; Y208-L212 PolarHBondContact O-N 2.94Å; K209-L212 PolarHBondContact O-N 3.14Å; L212-K214 PolarHBondContact O-N 2.65Å; L212-C215 WeakPolarHBondContact O-CB 3.17Å; L212-C215 PolarHBondContact O-N 2.92Å; L212-C215 VanDerWaalsContact O-N 3.15Å; L212-V216 HydrophobicContact CD1-CG2 4.35Å; L212-V216 HydrophobicContact CG-CG2 4.42Å; L212-V216 WeakPolarHBondContact O-CG2 3.34Å; L212-V216 PolarHBondContact O-N 3.32Å
213	N	92.7	Very high	95.2	Very high	106 Å²	106	97.6 Å²	97.6	57%	0.567	46%	0.458	S	S	*	.	H	α-helix	trans	-62.6	-40.4	178.3	-170.3	33.5	0	0	0	112.4	K209 E210 R211 V216 T217	K209-N213 WeakPolarHBondContact O-CB 3.19Å; K209-N213 PolarHBondContact O-N 3.49Å; E210-N213 PolarHBondContact O-N 3.04Å; R211-N213 VanDerWaalsContact C-N 3.34Å; R211-N213 PolarHBondContact O-N 3.38Å; N213-V216 PolarHBondContact O-N 3.01Å; N213-T217 WeakPolarHBondContact O-CB 3.34Å; N213-T217 PolarHBondContact O-N 2.92Å; N213-T217 PolarHBondContact O-OG1 3.22Å
214	K	95	Very high	95.2	Very high	146 Å²	146	92.8 Å²	92.8	64%	0.635	44%	0.443	S	S	*	.	H	α-helix	trans	-61	-44.9	172.6	-72.7	173.9	-177.5	173.9	0	111.6	E210 R211 L212 T217 M218	E210-K214 WeakPolarHBondContact O-CG 3.33Å; E210-K214 PolarHBondContact O-N 3.42Å; R211-K214 PolarHBondContact O-N 2.84Å; L212-K214 PolarHBondContact O-N 2.65Å; K214-T217 PolarHBondContact O-N 3.38Å; K214-M218 PolarHBondContact O-N 3.49Å
215	C	93.3	Very high	95.3	Very high	66 Å²	66	94.3 Å²	94.3	45%	0.446	45%	0.449	S	S	.	.	H	α-helix	trans	-61.5	-50.6	177.3	-175.2	0	0	0	0	111.5	R211 L212 T217 M218 S219	R211-C215 PolarHBondContact O-N 3.28Å; L212-C215 WeakPolarHBondContact O-CB 3.17Å; L212-C215 PolarHBondContact O-N 2.92Å; L212-C215 VanDerWaalsContact O-N 3.15Å; C215-T217 VanDerWaalsContact C-N 3.3Å; C215-T217 PolarHBondContact O-N 2.87Å; C215-M218 PolarHBondContact O-N 2.9Å; C215-M218 VanDerWaalsContact O-N 3.17Å; C215-S219 PolarHBondContact O-N 2.67Å; C215-S219 PolarHBondContact O-OG 3.42Å
216	V	92.9	Very high	95.3	Very high	31 Å²	31	94.3 Å²	94.3	19%	0.188	45%	0.445	C	S	.	.	H	α-helix	trans	-57.6	-43.3	177.2	170.7	0	0	0	0	111.2	L212 N213 S219 K220 L409	L212-V216 HydrophobicContact CD1-CG2 4.35Å; L212-V216 HydrophobicContact CG-CG2 4.42Å; L212-V216 WeakPolarHBondContact O-CG2 3.34Å; L212-V216 PolarHBondContact O-N 3.32Å; N213-V216 PolarHBondContact O-N 3.01Å; V216-S219 PolarHBondContact O-N 3.17Å; V216-K220 HydrophobicContact CG1-CD 4.35Å; V216-K220 HydrophobicContact CG1-CG 4.48Å; V216-K220 WeakPolarHBondContact O-CB 3.47Å; V216-K220 VanDerWaalsContact O-CG 3.31Å; V216-K220 WeakPolarHBondContact O-CG 3.45Å; V216-K220 PolarHBondContact O-N 2.83Å; V216-L409 HydrophobicContact CG1-CD2 4.31Å
217	T	94.9	Very high	95.2	Very high	82 Å²	82	89.8 Å²	89.8	50%	0.503	42%	0.424	S	S	.	.	H	α-helix	trans	-62.1	-44.3	177.8	-60	0	0	0	0	111.9	N213 K214 C215 K220 K221	N213-T217 WeakPolarHBondContact O-CB 3.34Å; N213-T217 PolarHBondContact O-N 2.92Å; N213-T217 PolarHBondContact O-OG1 3.22Å; K214-T217 PolarHBondContact O-N 3.38Å; C215-T217 VanDerWaalsContact C-N 3.3Å; C215-T217 PolarHBondContact O-N 2.87Å; T217-K220 PolarHBondContact O-N 2.82Å; T217-K221 PolarHBondContact O-N 2.84Å; T217-K221 VanDerWaalsContact O-N 3.13Å
218	M	95.3	Very high	95.2	Very high	84 Å²	84	88.5 Å²	88.5	41%	0.414	42%	0.422	S	S	.	.	H	α-helix	trans	-64.7	-45.8	175.9	-178.9	178.4	-93.4	0	0	111.4	Y89 K214 C215 K220 K221 L222	Y89-M218 HydrophobicContact CD1-CE 4.48Å; Y89-M218 HydrophobicContact CD2-CE 4.4Å; Y89-M218 HydrophobicContact CE1-CE 4.08Å; Y89-M218 HydrophobicContact CE2-CE 3.98Å; K214-M218 PolarHBondContact O-N 3.49Å; C215-M218 PolarHBondContact O-N 2.9Å; C215-M218 VanDerWaalsContact O-N 3.17Å; M218-K220 VanDerWaalsContact C-N 3.35Å; M218-K220 PolarHBondContact O-N 3.21Å; M218-K221 WeakPolarHBondContact O-CB 3.48Å; M218-K221 PolarHBondContact O-N 3.06Å; M218-K221 VanDerWaalsContact O-N 3.16Å; M218-L222 HydrophobicContact CG-CD1 4.07Å; M218-L222 HydrophobicContact CG-CG 4.47Å; M218-L222 WeakPolarHBondContact O-CG 3.46Å; M218-L222 PolarHBondContact O-N 2.76Å
219	S	94.6	Very high	95.2	Very high	45 Å²	45	87.3 Å²	87.3	32%	0.315	42%	0.421	S	S	.	.	H	α-helix	trans	-59	-44	176.9	-65.5	0	0	0	0	111.9	C215 V216 K221 L222 L223	C215-S219 PolarHBondContact O-N 2.67Å; C215-S219 PolarHBondContact O-OG 3.42Å; V216-S219 PolarHBondContact O-N 3.17Å; S219-K221 PolarHBondContact O-N 3.05Å; S219-L222 PolarHBondContact O-N 3.32Å; S219-L223 WeakPolarHBondContact O-CB 3.28Å; S219-L223 WeakPolarHBondContact O-CD1 3.5Å; S219-L223 VanDerWaalsContact O-CG 3.22Å; S219-L223 WeakPolarHBondContact O-CG 3.21Å; S219-L223 PolarHBondContact O-N 3.15Å
220	K	95.9	Very high	95.1	Very high	62 Å²	62	86 Å²	86	27%	0.27	42%	0.417	S	S	.	.	H	α-helix	trans	-54.8	-50.5	173.2	-76	178.5	174.3	-174.4	0	111.3	V216 T217 M218 L222 L223 I224 L390 L409	V216-K220 HydrophobicContact CG1-CD 4.35Å; V216-K220 HydrophobicContact CG1-CG 4.48Å; V216-K220 WeakPolarHBondContact O-CB 3.47Å; V216-K220 VanDerWaalsContact O-CG 3.31Å; V216-K220 WeakPolarHBondContact O-CG 3.45Å; V216-K220 PolarHBondContact O-N 2.83Å; T217-K220 PolarHBondContact O-N 2.82Å; M218-K220 VanDerWaalsContact C-N 3.35Å; M218-K220 PolarHBondContact O-N 3.21Å; K220-L222 PolarHBondContact O-N 2.59Å; K220-L223 PolarHBondContact O-N 3.48Å; K220-I224 VanDerWaalsContact O-CG1 3.26Å; K220-I224 WeakPolarHBondContact O-CG1 3.39Å; K220-I224 PolarHBondContact O-N 3.16Å; K220-L390 HydrophobicContact CB-CD2 4.27Å; K220-L390 HydrophobicContact CG-CD2 4.18Å; K220-L409 HydrophobicContact CD-CD1 4.36Å; K220-L409 HydrophobicContact CG-CD1 4.36Å; K220-L409 HydrophobicContact CG-CD2 3.72Å
221	K	96.6	Very high	95	Very high	153 Å²	153	81.9 Å²	81.9	67%	0.665	40%	0.397	S	S	*	.	H	α-helix	trans	-59	-47.4	-179.3	-174.1	-179.3	176.9	-176.8	0	111.8	T217 M218 S219 I224 E225	T217-K221 PolarHBondContact O-N 2.84Å; T217-K221 VanDerWaalsContact O-N 3.13Å; M218-K221 WeakPolarHBondContact O-CB 3.48Å; M218-K221 PolarHBondContact O-N 3.06Å; M218-K221 VanDerWaalsContact O-N 3.16Å; S219-K221 PolarHBondContact O-N 3.05Å; K221-I224 PolarHBondContact O-N 3.3Å; K221-E225 WeakPolarHBondContact O-CB 3.37Å; K221-E225 PolarHBondContact O-N 3.36Å
222	L	97.4	Very high	94.9	Very high	94 Å²	94	79.1 Å²	79.1	49%	0.492	39%	0.393	S	S	.	.	H	α-helix	trans	-65.8	-39.5	179.9	-68.1	173.8	0	0	0	112.3	M218 S219 K220 E225 K226	M218-L222 HydrophobicContact CG-CD1 4.07Å; M218-L222 HydrophobicContact CG-CG 4.47Å; M218-L222 WeakPolarHBondContact O-CG 3.46Å; M218-L222 PolarHBondContact O-N 2.76Å; S219-L222 PolarHBondContact O-N 3.32Å; K220-L222 PolarHBondContact O-N 2.59Å; L222-E225 PolarHBondContact O-N 2.92Å; L222-K226 WeakPolarHBondContact O-CB 3.49Å; L222-K226 PolarHBondContact O-N 2.92Å
223	L	97.5	Very high	95	Very high	21 Å²	21	77 Å²	77	11%	0.11	39%	0.39	C	S	.	.	H	α-helix	trans	-64.9	-41.7	176.5	-74.5	166.8	0	0	0	111.9	S219 K220 S227 L390 L392 F407 Y414	S219-L223 WeakPolarHBondContact O-CB 3.28Å; S219-L223 WeakPolarHBondContact O-CD1 3.5Å; S219-L223 VanDerWaalsContact O-CG 3.22Å; S219-L223 WeakPolarHBondContact O-CG 3.21Å; S219-L223 PolarHBondContact O-N 3.15Å; K220-L223 PolarHBondContact O-N 3.48Å; L223-S227 WeakPolarHBondContact O-CB 3.39Å; L223-S227 PolarHBondContact O-N 3.09Å; L223-L390 HydrophobicContact CB-CD2 3.93Å; L223-L390 HydrophobicContact CD1-CD2 4.1Å; L223-L392 HydrophobicContact CB-CD2 4.18Å; L223-F407 HydrophobicContact CD1-CB 3.89Å; L223-F407 HydrophobicContact CD1-CD1 3.5Å; L223-F407 VanDerWaalsContact CD1-CD1 3.5Å; L223-F407 HydrophobicContact CD1-CD2 4.17Å; L223-F407 HydrophobicContact CD1-CE1 4.01Å; L223-F407 HydrophobicContact CD1-CG 3.57Å; L223-F407 HydrophobicContact CD2-CD2 4.33Å; L223-F407 HydrophobicContact CD2-CG 4.46Å; L223-Y414 HydrophobicContact CD2-CE1 4.26Å
224	I	97.6	Very high	94.9	Very high	44 Å²	44	73.6 Å²	73.6	23%	0.226	37%	0.374	C	S	.	.	H	α-helix	trans	-64.2	-44.9	175.2	-67.7	167.7	0	0	0	110.4	K220 K221 S227 K228 H382 L390	K220-I224 VanDerWaalsContact O-CG1 3.26Å; K220-I224 WeakPolarHBondContact O-CG1 3.39Å; K220-I224 PolarHBondContact O-N 3.16Å; K221-I224 PolarHBondContact O-N 3.3Å; I224-S227 PolarHBondContact O-N 3.12Å; I224-K228 HydrophobicContact CG2-CD 4.16Å; I224-K228 HydrophobicContact CG2-CG 4.47Å; I224-K228 WeakPolarHBondContact O-CG 3.44Å; I224-K228 PolarHBondContact O-N 3.06Å; I224-H382 HydrophobicContact CD1-CB 4.19Å; I224-H382 HydrophobicContact CG1-CB 3.9Å; I224-H382 HydrophobicContact CG2-CB 4.49Å; I224-L390 HydrophobicContact CD1-CD1 4.23Å; I224-L390 HydrophobicContact CG1-CD1 4.29Å; I224-L390 HydrophobicContact CG1-CD2 4.26Å
225	E	97.1	Very high	94.8	Very high	98 Å²	98	70 Å²	70	46%	0.458	36%	0.356	S	S	.	.	H	α-helix	trans	-60.1	-47.9	177.7	-174.2	176.5	176.8	0	0	111.6	K221 L222 S227 K228 Q229	K221-E225 WeakPolarHBondContact O-CB 3.37Å; K221-E225 PolarHBondContact O-N 3.36Å; L222-E225 PolarHBondContact O-N 2.92Å; E225-S227 VanDerWaalsContact C-N 3.34Å; E225-S227 PolarHBondContact O-N 3.16Å; E225-K228 PolarHBondContact O-N 2.97Å; E225-Q229 WeakPolarHBondContact O-CG 3.31Å; E225-Q229 PolarHBondContact O-N 3.03Å
226	K	95.9	Very high	94.8	Very high	96 Å²	96	70.7 Å²	70.7	42%	0.417	36%	0.356	S	S	.	.	H	α-helix	trans	-57.4	-46.7	174.4	-178.5	178.9	176.1	-178.1	0	111.6	L222 K228 Q229 E230	L222-K226 WeakPolarHBondContact O-CB 3.49Å; L222-K226 PolarHBondContact O-N 2.92Å; K226-K228 VanDerWaalsContact C-N 3.32Å; K226-K228 PolarHBondContact O-N 3.12Å; K226-Q229 WeakPolarHBondContact O-CB 3.39Å; K226-Q229 PolarHBondContact O-N 3.3Å; K226-E230 WeakPolarHBondContact CE-OE1 3.5Å; K226-E230 WeakPolarHBondContact O-CG 3.3Å; K226-E230 PolarHBondContact O-N 3.26Å
227	S	95.6	Very high	94.7	Very high	1 Å²	1	75.5 Å²	75.5	1%	0.007	37%	0.374	C	S	.	.	H	α-helix	trans	-62.5	-37.9	178.1	178.4	0	0	0	0	112.3	L223 I224 E225 E230 K231 H382 L392	L223-S227 WeakPolarHBondContact O-CB 3.39Å; L223-S227 PolarHBondContact O-N 3.09Å; I224-S227 PolarHBondContact O-N 3.12Å; E225-S227 VanDerWaalsContact C-N 3.34Å; E225-S227 PolarHBondContact O-N 3.16Å; S227-E230 PolarHBondContact O-N 3.42Å; S227-K231 WeakPolarHBondContact O-CB 3.44Å; S227-K231 WeakPolarHBondContact O-CG 3.28Å; S227-K231 PolarHBondContact O-N 2.74Å; S227-H382 VanDerWaalsContact CB-NE2 3.34Å; S227-H382 WeakPolarHBondContact CB-NE2 3.41Å; S227-H382 PolarHBondContact OG-NE2 3.17Å; S227-L392 PolarHBondContact OG-O 2.97Å
228	K	95.5	Very high	94.6	Very high	109 Å²	109	72 Å²	72	47%	0.474	35%	0.353	S	S	.	.	H	α-helix	trans	-64.4	-41.2	174.3	-74.8	177.4	178.6	-178	0	111.9	I224 E225 K226 K231 M232	I224-K228 HydrophobicContact CG2-CD 4.16Å; I224-K228 HydrophobicContact CG2-CG 4.47Å; I224-K228 WeakPolarHBondContact O-CG 3.44Å; I224-K228 PolarHBondContact O-N 3.06Å; E225-K228 PolarHBondContact O-N 2.97Å; K226-K228 VanDerWaalsContact C-N 3.32Å; K226-K228 PolarHBondContact O-N 3.12Å; K228-K231 PolarHBondContact O-N 2.89Å; K228-M232 HydrophobicContact CB-CE 4.09Å; K228-M232 WeakPolarHBondContact O-CG 3.47Å; K228-M232 PolarHBondContact O-N 3.47Å
229	Q	95.3	Very high	94.4	Very high	111 Å²	111	73.7 Å²	73.7	52%	0.519	36%	0.361	S	S	.	.	H	α-helix	trans	-62.5	-45.2	175.4	-68.7	173.1	7.1	0	0	111.6	E225 K226 K231 M232 A233	E225-Q229 WeakPolarHBondContact O-CG 3.31Å; E225-Q229 PolarHBondContact O-N 3.03Å; K226-Q229 WeakPolarHBondContact O-CB 3.39Å; K226-Q229 PolarHBondContact O-N 3.3Å; Q229-K231 VanDerWaalsContact C-N 3.34Å; Q229-K231 PolarHBondContact O-N 3.11Å; Q229-M232 PolarHBondContact O-N 3.3Å; Q229-A233 PolarHBondContact O-N 3.34Å
230	E	92.6	Very high	94.2	Very high	76 Å²	76	78.2 Å²	78.2	36%	0.355	38%	0.378	S	S	.	.	H	α-helix	trans	-60	-43.4	175.1	-70.6	170.9	174.9	0	0	111.5	K226 S227 M232 A233 C234 H393	K226-E230 WeakPolarHBondContact CE-OE1 3.5Å; K226-E230 WeakPolarHBondContact O-CG 3.3Å; K226-E230 PolarHBondContact O-N 3.26Å; S227-E230 PolarHBondContact O-N 3.42Å; E230-M232 PolarHBondContact O-N 3.49Å; E230-A233 PolarHBondContact O-N 3.32Å; E230-C234 WeakPolarHBondContact O-CB 3.31Å; E230-C234 PolarHBondContact O-N 3.31Å; E230-H393 IonicContact OE2-CD2 2.73Å
231	K	91.9	Very high	94.1	Very high	22 Å²	22	76.4 Å²	76.4	10%	0.096	37%	0.371	C	S	.	.	H	α-helix	trans	-61.8	-38.2	175.5	-78.9	-174.5	-163.3	-164.9	0	112.9	S227 K228 Q229 R235 E374 K380 L392 H393	S227-K231 WeakPolarHBondContact O-CB 3.44Å; S227-K231 WeakPolarHBondContact O-CG 3.28Å; S227-K231 PolarHBondContact O-N 2.74Å; K228-K231 PolarHBondContact O-N 2.89Å; Q229-K231 VanDerWaalsContact C-N 3.34Å; Q229-K231 PolarHBondContact O-N 3.11Å; K231-R235 WeakPolarHBondContact O-CG 3.15Å; K231-R235 PolarHBondContact O-N 2.93Å; K231-R235 PolarHBondContact O-NH1 3.44Å; K231-E374 WeakPolarHBondContact CE-OE1 3.23Å; K231-E374 IonicContact NZ-OE1 3.27Å; K231-E374 PolarHBondContact NZ-OE1 3.24Å; K231-E374 VanDerWaalsContact NZ-OE1 3.07Å; K231-K380 PolarHBondContact NZ-O 3.11Å; K231-L392 VanDerWaalsContact CE-O 3.28Å; K231-L392 WeakPolarHBondContact CE-O 3.41Å; K231-L392 PolarHBondContact NZ-O 3.33Å; K231-H393 HydrophobicContact CG-CB 4.48Å
232	M	93.4	Very high	93.9	Very high	111 Å²	111	75.3 Å²	75.3	55%	0.547	36%	0.362	S	S	.	.	H	α-helix	trans	-70	-49.3	176.4	-72.9	-177.2	-124.1	0	0	111.2	K228 Q229 E230 C234 R235 D236	K228-M232 HydrophobicContact CB-CE 4.09Å; K228-M232 WeakPolarHBondContact O-CG 3.47Å; K228-M232 PolarHBondContact O-N 3.47Å; Q229-M232 PolarHBondContact O-N 3.3Å; E230-M232 PolarHBondContact O-N 3.49Å; M232-C234 PolarHBondContact O-N 3.31Å; M232-R235 WeakPolarHBondContact O-CA 3.41Å; M232-R235 WeakPolarHBondContact O-CB 3.41Å; M232-R235 PolarHBondContact O-N 3.4Å; M232-D236 PolarHBondContact O-N 3.45Å
233	A	93.9	Very high	93.7	Very high	59 Å²	59	77 Å²	77	49%	0.488	37%	0.371	S	S	.	.	H	α-helix	trans	-57.6	-38.4	178.2	0	0	0	0	0	112.4	Q229 E230 D236 K237	Q229-A233 PolarHBondContact O-N 3.34Å; E230-A233 PolarHBondContact O-N 3.32Å; A233-D236 PolarHBondContact O-N 3.16Å; A233-K237 PolarHBondContact O-N 3.36Å
234	C	91.2	Very high	93.6	Very high	34 Å²	34	79.2 Å²	79.2	23%	0.23	38%	0.378	C	S	.	.	H	α-helix	trans	-65.8	-37.4	176	-164.9	0	0	0	0	113.1	E230 M232 S238 E367	E230-C234 WeakPolarHBondContact O-CB 3.31Å; E230-C234 PolarHBondContact O-N 3.31Å; M232-C234 PolarHBondContact O-N 3.31Å; C234-S238 WeakPolarHBondContact O-CB 3.31Å; C234-S238 PolarHBondContact O-N 3.07Å; C234-S238 PolarHBondContact O-OG 3.23Å; C234-E367 PolarHBondContact SG-OE1 3.15Å
235	R	91.7	Very high	93.5	Very high	70 Å²	70	77.1 Å²	77.1	26%	0.264	37%	0.368	S	S	.	.	H	α-helix	trans	-69.9	-41.9	175.2	-76.8	176.3	176.6	72.8	-0.4	111.5	K231 M232 K237 S238 M239 I371 D375	K231-R235 WeakPolarHBondContact O-CG 3.15Å; K231-R235 PolarHBondContact O-N 2.93Å; K231-R235 PolarHBondContact O-NH1 3.44Å; M232-R235 WeakPolarHBondContact O-CA 3.41Å; M232-R235 WeakPolarHBondContact O-CB 3.41Å; M232-R235 PolarHBondContact O-N 3.4Å; R235-K237 VanDerWaalsContact C-N 3.33Å; R235-K237 PolarHBondContact O-N 3.44Å; R235-S238 CarbonylContact O-C 3.59Å; R235-S238 WeakPolarHBondContact O-CB 3.47Å; R235-S238 PolarHBondContact O-N 3.17Å; R235-S238 VanDerWaalsContact O-N 3.11Å; R235-M239 WeakPolarHBondContact O-CG 3.42Å; R235-M239 PolarHBondContact O-N 3.3Å; R235-I371 HydrophobicContact CG-CD1 4.39Å; R235-D375 IonicContact CZ-OD1 3.91Å; R235-D375 IonicContact NH2-OD1 3.59Å; R235-D375 PolarHBondContact NH2-OD1 3.02Å; R235-D375 IonicContact NH2-OD2 2.7Å; R235-D375 PolarHBondContact NH2-OD2 3.38Å
236	D	93.1	Very high	93.4	Very high	81 Å²	81	72.5 Å²	72.5	43%	0.433	35%	0.346	S	S	.	.	H	α-helix	trans	-60.3	-44.9	176.6	-68.8	-21.4	0	0	0	111.2	M232 A233 S238 M239 Q240	M232-D236 PolarHBondContact O-N 3.45Å; A233-D236 PolarHBondContact O-N 3.16Å; D236-S238 VanDerWaalsContact C-N 3.33Å; D236-S238 PolarHBondContact O-N 2.93Å; D236-M239 PolarHBondContact O-N 2.75Å; D236-M239 WeakPolarHBondContact OD1-CE 3.44Å; D236-Q240 WeakPolarHBondContact O-CG 3.34Å; D236-Q240 PolarHBondContact O-N 3.16Å
237	K	92.2	Very high	93.2	Very high	133 Å²	133	70.4 Å²	70.4	58%	0.578	34%	0.338	S	S	*	.	H	α-helix	trans	-58.9	-45.2	172.9	-174.4	-179.9	178.6	-176.8	0	111.7	A233 R235 M239 Q240 D241	A233-K237 PolarHBondContact O-N 3.36Å; R235-K237 VanDerWaalsContact C-N 3.33Å; R235-K237 PolarHBondContact O-N 3.44Å; K237-M239 VanDerWaalsContact C-N 3.31Å; K237-M239 PolarHBondContact O-N 3.04Å; K237-Q240 PolarHBondContact O-N 2.96Å; K237-D241 PolarHBondContact O-N 3.24Å
238	S	92.3	Very high	93.1	Very high	9 Å²	9	73.7 Å²	73.7	6%	0.063	35%	0.352	C	S	.	.	H	α-helix	trans	-64.1	-35.4	178	-60.5	0	0	0	0	112.4	C234 R235 D236 D241 R242 H364 I371	C234-S238 WeakPolarHBondContact O-CB 3.31Å; C234-S238 PolarHBondContact O-N 3.07Å; C234-S238 PolarHBondContact O-OG 3.23Å; R235-S238 CarbonylContact O-C 3.59Å; R235-S238 WeakPolarHBondContact O-CB 3.47Å; R235-S238 PolarHBondContact O-N 3.17Å; R235-S238 VanDerWaalsContact O-N 3.11Å; D236-S238 VanDerWaalsContact C-N 3.33Å; D236-S238 PolarHBondContact O-N 2.93Å; S238-D241 PolarHBondContact O-N 3.17Å; S238-R242 WeakPolarHBondContact O-CB 3.33Å; S238-R242 PolarHBondContact O-N 2.92Å; S238-H364 PolarHBondContact O-CE1 2.83Å; S238-H364 VanDerWaalsContact O-CE1 3.25Å; S238-I371 WeakPolarHBondContact OG-CD1 3.46Å
239	M	90.9	Very high	92.8	Very high	118 Å²	118	71 Å²	71	58%	0.581	34%	0.344	S	S	*	.	H	α-helix	trans	-68.7	-37.3	174.5	-73.1	-161.8	-68.5	0	0	112.5	R235 D236 K237 R242	R235-M239 WeakPolarHBondContact O-CG 3.42Å; R235-M239 PolarHBondContact O-N 3.3Å; D236-M239 PolarHBondContact O-N 2.75Å; D236-M239 WeakPolarHBondContact OD1-CE 3.44Å; K237-M239 VanDerWaalsContact C-N 3.31Å; K237-M239 PolarHBondContact O-N 3.04Å; M239-R242 WeakPolarHBondContact O-CB 3.34Å; M239-R242 PolarHBondContact O-N 3.34Å
240	Q	90.3	Very high	92.6	Very high	141 Å²	141	69.9 Å²	69.9	66%	0.659	35%	0.345	S	S	*	.	H	α-helix	trans	-66.1	-44.5	173.8	-69.1	171.8	9.6	0	0	111.3	D236 K237 R242 L243	D236-Q240 WeakPolarHBondContact O-CG 3.34Å; D236-Q240 PolarHBondContact O-N 3.16Å; K237-Q240 PolarHBondContact O-N 2.96Å; Q240-R242 VanDerWaalsContact C-N 3.27Å; Q240-R242 PolarHBondContact O-N 3.45Å; Q240-L243 PolarHBondContact O-N 3.43Å
241	D	93.9	Very high	92.5	Very high	23 Å²	23	68.5 Å²	68.5	12%	0.123	34%	0.342	C	S	.	.	H	α-helix	trans	-67.5	-26	178.7	-83.4	-27.7	0	0	0	112.5	K237 S238 L243 R244 L245	K237-D241 PolarHBondContact O-N 3.24Å; S238-D241 PolarHBondContact O-N 3.17Å; D241-L243 PolarHBondContact O-N 3.24Å; D241-R244 PolarHBondContact O-N 2.93Å; D241-R244 IonicContact OD1-NH1 3.68Å; D241-R244 PolarHBondContact OD1-NH1 3.34Å; D241-L245 HydrophobicContact CB-CD1 3.83Å; D241-L245 HydrophobicContact CB-CG 4.29Å; D241-L245 WeakPolarHBondContact O-CA 3.42Å; D241-L245 WeakPolarHBondContact O-CB 3.24Å; D241-L245 PolarHBondContact O-N 2.87Å
242	R	93.4	Very high	92.4	Very high	130 Å²	130	75.8 Å²	75.8	49%	0.491	37%	0.369	S	S	.	.	H	α-helix	trans	-56	-45.3	175.4	162	163.9	-161.8	-170.6	7.7	113.6	S238 M239 Q240 G246 H247	S238-R242 WeakPolarHBondContact O-CB 3.33Å; S238-R242 PolarHBondContact O-N 2.92Å; M239-R242 WeakPolarHBondContact O-CB 3.34Å; M239-R242 PolarHBondContact O-N 3.34Å; Q240-R242 VanDerWaalsContact C-N 3.27Å; Q240-R242 PolarHBondContact O-N 3.45Å; R242-G246 WeakPolarHBondContact CA-O 3Å; R242-G246 CarbonylContact O-C 3.55Å; R242-G246 VanDerWaalsContact O-C 3.24Å; R242-G246 VanDerWaalsContact O-CA 3.26Å; R242-G246 WeakPolarHBondContact O-CA 3.41Å; R242-G246 PolarHBondContact O-N 3.22Å; R242-G246 VanDerWaalsContact O-N 3.16Å; R242-H247 HydrophobicContact CG-CB 3.92Å
243	L	91.9	Very high	92	Very high	129 Å²	129	75.6 Å²	75.6	68%	0.675	37%	0.367	S	S	*	.	H	α-helix	trans	-75.4	-33.3	179.6	-67.5	175.3	0	0	0	112	Q240 D241 G264 Y265	Q240-L243 PolarHBondContact O-N 3.43Å; D241-L243 PolarHBondContact O-N 3.24Å; L243-G264 VanDerWaalsContact O-CA 3.29Å; L243-G264 WeakPolarHBondContact O-CA 3.36Å; L243-Y265 WeakPolarHBondContact O-CD1 3.19Å; L243-Y265 PolarHBondContact O-N 3.28Å
244	R	95.1	Very high	91.7	Very high	69 Å²	69	75.7 Å²	75.7	26%	0.26	37%	0.373	S	S	.	.	H	α-helix	trans	-80.7	-49.7	-174.5	179.3	174.4	165.5	-108.6	-3.7	113	D241 G264 Y265 A266	D241-R244 PolarHBondContact O-N 2.93Å; D241-R244 IonicContact OD1-NH1 3.68Å; D241-R244 PolarHBondContact OD1-NH1 3.34Å; R244-G264 CarbonylContact O-C 3.6Å; R244-Y265 HydrophobicContact CB-CD1 4.35Å; R244-Y265 HydrophobicContact CB-CE1 3.59Å; R244-Y265 WeakPolarHBondContact CD-OH 3.49Å; R244-Y265 HydrophobicContact CG-CE1 4.02Å; R244-Y265 HydrophobicContact CG-CE2 4.17Å; R244-Y265 WeakPolarHBondContact CG-OH 3.41Å; R244-Y265 PolarHBondContact O-N 3.4Å; R244-A266 HydrophobicContact CG-CB 3.99Å; R244-A266 WeakPolarHBondContact O-CB 3.4Å; R244-A266 PolarHBondContact O-N 3.09Å
245	L	95.7	Very high	91.6	Very high	0 Å²	0	79 Å²	79	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-96.7	-34.4	-173.9	-55.3	178.1	0	0	0	111.9	D241 G264 F267 L357 V360 H364	D241-L245 HydrophobicContact CB-CD1 3.83Å; D241-L245 HydrophobicContact CB-CG 4.29Å; D241-L245 WeakPolarHBondContact O-CA 3.42Å; D241-L245 WeakPolarHBondContact O-CB 3.24Å; D241-L245 PolarHBondContact O-N 2.87Å; L245-G264 PolarHBondContact O-N 3.09Å; L245-F267 HydrophobicContact CD2-CE2 4.49Å; L245-F267 WeakPolarHBondContact O-CD2 3.48Å; L245-L357 HydrophobicContact CD2-CD2 4.22Å; L245-V360 HydrophobicContact CD1-CG1 3.73Å; L245-V360 HydrophobicContact CD2-CG1 4.21Å; L245-H364 HydrophobicContact CD1-CB 3.7Å
246	G	94.6	Very high	91.1	Very high	1 Å²	1	78.8 Å²	78.8	1%	0.01	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	128.2	-179.7	-179.5	0	0	0	0	0	113.5	R242 W261 T262 G264	R242-G246 WeakPolarHBondContact CA-O 3Å; R242-G246 CarbonylContact O-C 3.55Å; R242-G246 VanDerWaalsContact O-C 3.24Å; R242-G246 VanDerWaalsContact O-CA 3.26Å; R242-G246 WeakPolarHBondContact O-CA 3.41Å; R242-G246 PolarHBondContact O-N 3.22Å; R242-G246 VanDerWaalsContact O-N 3.16Å; G246-W261 VanDerWaalsContact C-CH2 3.48Å; G246-W261 VanDerWaalsContact O-CH2 3.28Å; G246-W261 WeakPolarHBondContact O-CH2 3.5Å; G246-T262 CarbonylContact C-O 3.47Å; G246-T262 WeakPolarHBondContact CA-O 3.49Å; G246-G264 VanDerWaalsContact CA-N 3.34Å
247	H	93.6	Very high	90.9	Very high	52 Å²	52	80.9 Å²	80.9	24%	0.241	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	165.7	176.7	62.4	84.6	0	0	0	112.7	R242 T249 T262	R242-H247 HydrophobicContact CG-CB 3.92Å; H247-T249 PolarHBondContact CE1-OG1 2.85Å; H247-T249 PolarHBondContact ND1-OG1 3.11Å; H247-T262 PolarHBondContact N-O 3.37Å; H247-T262 PolarHBondContact O-N 3.22Å
248	F	92.2	Very high	90.7	Very high	70 Å²	70	77.4 Å²	77.4	31%	0.307	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	137.5	167.4	-68.4	-76.9	0	0	0	110.7	E259 Q260 W261 I365	F248-E259 HydrophobicContact CB-CB 4.37Å; F248-E259 HydrophobicContact CD1-CB 4.1Å; F248-Q260 WeakPolarHBondContact CA-O 3.11Å; F248-W261 HydrophobicContact CD1-CE3 4.1Å; F248-W261 AromaticContact CD2-CE3 3.85Å; F248-W261 HydrophobicContact CD2-CE3 3.85Å; F248-W261 AromaticContact CD2-CZ3 3.87Å; F248-W261 HydrophobicContact CD2-CZ3 3.87Å; F248-W261 HydrophobicContact CE1-CB 4.33Å; F248-W261 AromaticContact CE1-CE3 3.89Å; F248-W261 HydrophobicContact CE1-CE3 3.89Å; F248-W261 AromaticContact CE2-CE3 3.62Å; F248-W261 HydrophobicContact CE2-CE3 3.62Å; F248-W261 AromaticContact CE2-CZ3 3.65Å; F248-W261 HydrophobicContact CE2-CZ3 3.65Å; F248-W261 HydrophobicContact CG-CE3 4.09Å; F248-W261 AromaticContact CZ-CE3 3.64Å; F248-W261 HydrophobicContact CZ-CE3 3.64Å; F248-W261 HydrophobicContact CZ-CZ3 4.11Å; F248-I365 HydrophobicContact CE2-CG1 4.27Å; F248-I365 HydrophobicContact CE2-CG2 4.13Å; F248-I365 HydrophobicContact CZ-CG1 4.37Å; F248-I365 HydrophobicContact CZ-CG2 4.09Å
249	T	90.1	Very high	90.6	Very high	51 Å²	51	81.5 Å²	81.5	31%	0.313	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.6	173	-54	0	0	0	0	107.6	H247 V251 Q260 T262	H247-T249 PolarHBondContact CE1-OG1 2.85Å; H247-T249 PolarHBondContact ND1-OG1 3.11Å; T249-V251 PolarHBondContact O-N 3.4Å; T249-Q260 PolarHBondContact N-O 2.78Å; T249-Q260 PolarHBondContact O-N 2.85Å; T249-T262 PolarHBondContact OG1-OG1 3.43Å
250	T	90.5	Very high	90.6	Very high	88 Å²	88	81 Å²	81	54%	0.54	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	119.1	175.6	-46.8	0	0	0	0	109.6	F257	T250-F257 HydrophobicContact CG2-CB 3.69Å; T250-F257 HydrophobicContact CG2-CD1 3.83Å; T250-F257 HydrophobicContact CG2-CG 4.12Å
251	V	90.8	Very high	90.7	Very high	47 Å²	47	76.5 Å²	76.5	29%	0.285	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.3	178.4	-175	0	0	0	0	108.9	T249 F257 T258 Q260	T249-V251 PolarHBondContact O-N 3.4Å; V251-F257 WeakPolarHBondContact O-CA 3.48Å; V251-T258 PolarHBondContact N-O 3.3Å; V251-T258 PolarHBondContact O-N 3.39Å; V251-Q260 HydrophobicContact CG2-CB 3.96Å
252	R	90.1	Very high	90.7	Very high	176 Å²	176	78.4 Å²	78.4	66%	0.664	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	121.7	178.6	-174.1	179.3	176.3	-178.8	2.2	110.1	G254 F257	R252-G254 PolarHBondContact NE-O 3.27Å; R252-G254 PolarHBondContact NH2-O 3.29Å; R252-F257 HydrophobicContact CB-CD1 4Å; R252-F257 HydrophobicContact CB-CE1 3.87Å; R252-F257 HydrophobicContact CG-CD1 4.34Å; R252-F257 HydrophobicContact CG-CE1 4.05Å; R252-F257 HydrophobicContact CG-CZ 4.43Å
253	H	84.7	Confident	90.8	Very high	107 Å²	107	74.5 Å²	74.5	50%	0.495	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	91.3	170.9	-77.6	-92.5	0	0	0	109.7	A255 S256 T258	H253-A255 PolarHBondContact O-N 2.79Å; H253-A255 VanDerWaalsContact O-N 3.11Å; H253-S256 CarbonylContact C-O 3.6Å; H253-S256 PolarHBondContact N-O 3.17Å; H253-S256 PolarHBondContact O-N 2.77Å; H253-S256 VanDerWaalsContact O-N 3.1Å; H253-S256 PolarHBondContact O-OG 3.17Å; H253-S256 VanDerWaalsContact O-OG 3.12Å; H253-T258 PolarHBondContact CD2-OG1 3.48Å
254	G	87.9	Confident	91	Very high	60 Å²	60	68.7 Å²	68.7	62%	0.619	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	-111.8	-177.2	0	0	0	0	0	112.2	R252	R252-G254 PolarHBondContact NE-O 3.27Å; R252-G254 PolarHBondContact NH2-O 3.29Å
255	A	89.2	Confident	91	Very high	104 Å²	104	71.1 Å²	71.1	86%	0.86	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-9.8	178.5	0	0	0	0	0	113.9	H253	H253-A255 PolarHBondContact O-N 2.79Å; H253-A255 VanDerWaalsContact O-N 3.11Å
256	S	81.7	Confident	91	Very high	65 Å²	65	71.8 Å²	71.8	46%	0.455	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	159.6	179.7	60.5	0	0	0	0	112	H253	H253-S256 CarbonylContact C-O 3.6Å; H253-S256 PolarHBondContact N-O 3.17Å; H253-S256 PolarHBondContact O-N 2.77Å; H253-S256 VanDerWaalsContact O-N 3.1Å; H253-S256 PolarHBondContact O-OG 3.17Å; H253-S256 VanDerWaalsContact O-OG 3.12Å
257	F	87.3	Confident	91	Very high	125 Å²	125	72 Å²	72	55%	0.548	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.2	170.2	-68.1	-85.4	0	0	0	108.5	T250 V251 R252	T250-F257 HydrophobicContact CG2-CB 3.69Å; T250-F257 HydrophobicContact CG2-CD1 3.83Å; T250-F257 HydrophobicContact CG2-CG 4.12Å; V251-F257 WeakPolarHBondContact O-CA 3.48Å; R252-F257 HydrophobicContact CB-CD1 4Å; R252-F257 HydrophobicContact CB-CE1 3.87Å; R252-F257 HydrophobicContact CG-CD1 4.34Å; R252-F257 HydrophobicContact CG-CE1 4.05Å; R252-F257 HydrophobicContact CG-CZ 4.43Å
258	T	88.8	Confident	91.1	Very high	60 Å²	60	73.8 Å²	73.8	37%	0.368	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.3	174	59.6	0	0	0	0	109.2	V251 H253	V251-T258 PolarHBondContact N-O 3.3Å; V251-T258 PolarHBondContact O-N 3.39Å; H253-T258 PolarHBondContact CD2-OG1 3.48Å
259	E	89.6	Confident	91.2	Very high	95 Å²	95	74.3 Å²	74.3	44%	0.444	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.1	173.2	-59.4	-172.8	140.4	0	0	109.3	L44 F248	L44-E259 HydrophobicContact CD1-CB 3.65Å; L44-E259 HydrophobicContact CD1-CG 3.85Å; L44-E259 WeakPolarHBondContact CD1-OE2 3.09Å; F248-E259 HydrophobicContact CB-CB 4.37Å; F248-E259 HydrophobicContact CD1-CB 4.1Å
260	Q	91.3	Very high	91.5	Very high	108 Å²	108	72.6 Å²	72.6	51%	0.505	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.5	176.3	-169.6	175.3	10.5	0	0	109.9	F248 T249 V251	F248-Q260 WeakPolarHBondContact CA-O 3.11Å; T249-Q260 PolarHBondContact N-O 2.78Å; T249-Q260 PolarHBondContact O-N 2.85Å; V251-Q260 HydrophobicContact CG2-CB 3.96Å
261	W	92.9	Very high	91.7	Very high	47 Å²	47	72 Å²	72	18%	0.178	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	130.8	174.7	-174	-93.8	0	0	0	110.7	G246 F248 D263 R361 H364 I365 L368	G246-W261 VanDerWaalsContact C-CH2 3.48Å; G246-W261 VanDerWaalsContact O-CH2 3.28Å; G246-W261 WeakPolarHBondContact O-CH2 3.5Å; F248-W261 HydrophobicContact CD1-CE3 4.1Å; F248-W261 AromaticContact CD2-CE3 3.85Å; F248-W261 HydrophobicContact CD2-CE3 3.85Å; F248-W261 AromaticContact CD2-CZ3 3.87Å; F248-W261 HydrophobicContact CD2-CZ3 3.87Å; F248-W261 HydrophobicContact CE1-CB 4.33Å; F248-W261 AromaticContact CE1-CE3 3.89Å; F248-W261 HydrophobicContact CE1-CE3 3.89Å; F248-W261 AromaticContact CE2-CE3 3.62Å; F248-W261 HydrophobicContact CE2-CE3 3.62Å; F248-W261 AromaticContact CE2-CZ3 3.65Å; F248-W261 HydrophobicContact CE2-CZ3 3.65Å; F248-W261 HydrophobicContact CG-CE3 4.09Å; F248-W261 AromaticContact CZ-CE3 3.64Å; F248-W261 HydrophobicContact CZ-CE3 3.64Å; F248-W261 HydrophobicContact CZ-CZ3 4.11Å; W261-D263 PolarHBondContact NE1-OD1 3.12Å; W261-R361 HydrophobicContact CH2-CG 4.31Å; W261-R361 HydrophobicContact CZ2-CG 3.62Å; W261-H364 AromaticContact CH2-CD2 3.94Å; W261-I365 HydrophobicContact CD2-CD1 4.22Å; W261-I365 HydrophobicContact CE3-CD1 3.91Å; W261-I365 HydrophobicContact CE3-CG1 3.9Å; W261-I365 HydrophobicContact CH2-CD1 4.13Å; W261-I365 HydrophobicContact CH2-CG1 3.64Å; W261-I365 HydrophobicContact CZ2-CD1 4.43Å; W261-I365 HydrophobicContact CZ2-CG1 4.37Å; W261-I365 HydrophobicContact CZ3-CD1 3.87Å; W261-I365 HydrophobicContact CZ3-CG1 3.37Å; W261-L368 HydrophobicContact CZ3-CD1 4.39Å
262	T	93.9	Very high	91.9	Very high	62 Å²	62	75 Å²	75	38%	0.38	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.6	173.3	-52.2	0	0	0	0	108.7	G246 H247 T249	G246-T262 CarbonylContact C-O 3.47Å; G246-T262 WeakPolarHBondContact CA-O 3.49Å; H247-T262 PolarHBondContact N-O 3.37Å; H247-T262 PolarHBondContact O-N 3.22Å; T249-T262 PolarHBondContact OG1-OG1 3.43Å
263	D	94.9	Very high	92.1	Very high	49 Å²	49	70.4 Å²	70.4	26%	0.262	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	139.5	-176	-79.6	-23.7	0	0	0	113.1	W261 F267 Q268 R361	W261-D263 PolarHBondContact NE1-OD1 3.12Å; D263-F267 HydrophobicContact CB-CB 3.89Å; D263-F267 HydrophobicContact CB-CG 4.44Å; D263-Q268 PolarHBondContact O-NE2 3.27Å; D263-R361 IonicContact OD1-NH1 3.68Å; D263-R361 PolarHBondContact OD1-NH1 3.04Å
264	G	95.3	Very high	92.6	Very high	7 Å²	7	67 Å²	67	7%	0.072	36%	0.364	C	S	.	.			trans	-80.9	-179.7	176.9	0	0	0	0	0	114.1	L243 R244 L245 G246 A266 F267 Q268	L243-G264 VanDerWaalsContact O-CA 3.29Å; L243-G264 WeakPolarHBondContact O-CA 3.36Å; R244-G264 CarbonylContact O-C 3.6Å; L245-G264 PolarHBondContact O-N 3.09Å; G246-G264 VanDerWaalsContact CA-N 3.34Å; G264-A266 PolarHBondContact O-N 3.31Å; G264-A266 VanDerWaalsContact O-N 3.13Å; G264-F267 PolarHBondContact O-N 3.44Å; G264-Q268 WeakPolarHBondContact O-CG 3.36Å; G264-Q268 PolarHBondContact O-N 3.2Å
265	Y	95.6	Very high	92.9	Very high	120 Å²	120	70 Å²	70	47%	0.471	36%	0.361	S	S	.	.	H	α-helix	trans	-60.5	-28.9	-172.7	71.7	-103.7	0	0	0	113.7	L243 R244 Q268 N269	L243-Y265 WeakPolarHBondContact O-CD1 3.19Å; L243-Y265 PolarHBondContact O-N 3.28Å; R244-Y265 HydrophobicContact CB-CD1 4.35Å; R244-Y265 HydrophobicContact CB-CE1 3.59Å; R244-Y265 WeakPolarHBondContact CD-OH 3.49Å; R244-Y265 HydrophobicContact CG-CE1 4.02Å; R244-Y265 HydrophobicContact CG-CE2 4.17Å; R244-Y265 WeakPolarHBondContact CG-OH 3.41Å; R244-Y265 PolarHBondContact O-N 3.4Å; Y265-Q268 PolarHBondContact O-N 3.13Å; Y265-N269 VanDerWaalsContact O-CB 3.31Å; Y265-N269 WeakPolarHBondContact O-CB 3.42Å; Y265-N269 PolarHBondContact O-N 3.05Å; Y265-N269 PolarHBondContact O-ND2 3.45Å
266	A	95.5	Very high	93.3	Very high	14 Å²	14	72.3 Å²	72.3	12%	0.116	35%	0.348	C	S	.	.	H	α-helix	trans	-67.1	-43.5	-177	0	0	0	0	0	111.4	R244 G264 L270 L357	R244-A266 HydrophobicContact CG-CB 3.99Å; R244-A266 WeakPolarHBondContact O-CB 3.4Å; R244-A266 PolarHBondContact O-N 3.09Å; G264-A266 PolarHBondContact O-N 3.31Å; G264-A266 VanDerWaalsContact O-N 3.13Å; A266-L270 PolarHBondContact O-N 3.07Å; A266-L357 HydrophobicContact CB-CD1 3.73Å; A266-L357 HydrophobicContact CB-CD2 4.25Å
267	F	95.7	Very high	93.9	Very high	5 Å²	5	69.7 Å²	69.7	2%	0.022	33%	0.328	C	S	.	.	H	α-helix	trans	-68.8	-45.5	174.7	-76.2	-85.8	0	0	0	111.4	L245 D263 G264 N269 L270 I271 L354 L357 R361	L245-F267 HydrophobicContact CD2-CE2 4.49Å; L245-F267 WeakPolarHBondContact O-CD2 3.48Å; D263-F267 HydrophobicContact CB-CB 3.89Å; D263-F267 HydrophobicContact CB-CG 4.44Å; G264-F267 PolarHBondContact O-N 3.44Å; F267-N269 VanDerWaalsContact C-N 3.25Å; F267-N269 PolarHBondContact O-N 2.94Å; F267-L270 PolarHBondContact O-N 3.49Å; F267-L270 VanDerWaalsContact O-N 3.12Å; F267-I271 WeakPolarHBondContact O-CG1 3.43Å; F267-I271 PolarHBondContact O-N 2.93Å; F267-L354 HydrophobicContact CD1-CD1 3.96Å; F267-L354 HydrophobicContact CE1-CD1 4.28Å; F267-L357 HydrophobicContact CE1-CB 3.88Å; F267-L357 HydrophobicContact CE2-CB 4.06Å; F267-L357 HydrophobicContact CZ-CB 3.61Å; F267-R361 HydrophobicContact CE2-CB 4.04Å; F267-R361 HydrophobicContact CE2-CG 4.42Å; F267-R361 HydrophobicContact CZ-CB 3.91Å; F267-R361 HydrophobicContact CZ-CG 4.44Å
268	Q	94.9	Very high	94.2	Very high	90 Å²	90	65.9 Å²	65.9	42%	0.421	31%	0.314	S	S	.	.	H	α-helix	trans	-58	-38.6	178.7	-66.1	177.3	11.2	0	0	112.3	D263 G264 Y265 K272	D263-Q268 PolarHBondContact O-NE2 3.27Å; G264-Q268 WeakPolarHBondContact O-CG 3.36Å; G264-Q268 PolarHBondContact O-N 3.2Å; Y265-Q268 PolarHBondContact O-N 3.13Å; Q268-K272 WeakPolarHBondContact O-CB 3.46Å; Q268-K272 VanDerWaalsContact O-CG 3.3Å; Q268-K272 WeakPolarHBondContact O-CG 3.21Å; Q268-K272 PolarHBondContact O-N 3.5Å
269	N	95.6	Very high	94.5	Very high	80 Å²	80	65.8 Å²	65.8	43%	0.428	32%	0.316	S	S	.	.	H	α-helix	trans	-67.3	-40.3	177.3	-73.3	-15.4	0	0	0	112.5	Y265 F267 Q273	Y265-N269 VanDerWaalsContact O-CB 3.31Å; Y265-N269 WeakPolarHBondContact O-CB 3.42Å; Y265-N269 PolarHBondContact O-N 3.05Å; Y265-N269 PolarHBondContact O-ND2 3.45Å; F267-N269 VanDerWaalsContact C-N 3.25Å; F267-N269 PolarHBondContact O-N 2.94Å; N269-Q273 WeakPolarHBondContact O-CG 3.42Å; N269-Q273 PolarHBondContact O-N 3.44Å
270	L	94.8	Very high	94.8	Very high	16 Å²	16	66 Å²	66	8%	0.084	32%	0.316	C	S	.	.	H	α-helix	trans	-66.9	-41.5	175.3	-70.2	-177.1	0	0	0	112	A266 F267 K272 Q273 Q274 I350 E353 L354 L357	A266-L270 PolarHBondContact O-N 3.07Å; F267-L270 PolarHBondContact O-N 3.49Å; F267-L270 VanDerWaalsContact O-N 3.12Å; L270-K272 PolarHBondContact O-N 3.12Å; L270-Q273 WeakPolarHBondContact O-CB 3.44Å; L270-Q273 PolarHBondContact O-N 3.43Å; L270-Q273 VanDerWaalsContact O-N 3.15Å; L270-Q274 WeakPolarHBondContact O-CB 3.35Å; L270-Q274 PolarHBondContact O-N 3.3Å; L270-I350 HydrophobicContact CB-CG2 4.5Å; L270-I350 HydrophobicContact CD2-CG2 4.45Å; L270-E353 HydrophobicContact CD1-CB 4.34Å; L270-E353 HydrophobicContact CD1-CG 3.92Å; L270-E353 HydrophobicContact CD2-CB 4.43Å; L270-E353 HydrophobicContact CD2-CG 4Å; L270-L354 HydrophobicContact CD1-CB 4.22Å; L270-L354 HydrophobicContact CD1-CD1 4.1Å; L270-L357 HydrophobicContact CD1-CD1 3.48Å; L270-L357 VanDerWaalsContact CD1-CD1 3.48Å; L270-L357 HydrophobicContact CD1-CG 4.34Å; L270-L357 HydrophobicContact CG-CD1 4.27Å
271	I	94.6	Very high	95	Very high	75 Å²	75	65.1 Å²	65.1	39%	0.385	31%	0.309	S	S	.	.	H	α-helix	trans	-59.7	-47.7	176.4	-67.6	165.8	0	0	0	109.9	F267 Q273 Q274 E275	F267-I271 WeakPolarHBondContact O-CG1 3.43Å; F267-I271 PolarHBondContact O-N 2.93Å; I271-Q273 VanDerWaalsContact C-N 3.31Å; I271-Q273 PolarHBondContact O-N 3.46Å; I271-Q274 WeakPolarHBondContact O-CB 3.43Å; I271-Q274 PolarHBondContact O-N 3.47Å; I271-Q274 VanDerWaalsContact O-N 3.16Å; I271-E275 WeakPolarHBondContact O-CG 3.35Å; I271-E275 PolarHBondContact O-N 2.89Å
272	K	95.6	Very high	95.1	Very high	110 Å²	110	67.8 Å²	67.8	48%	0.478	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-37.7	174.9	-72.8	173.3	-177.1	175.1	0	112.8	Q268 L270 R276	Q268-K272 WeakPolarHBondContact O-CB 3.46Å; Q268-K272 VanDerWaalsContact O-CG 3.3Å; Q268-K272 WeakPolarHBondContact O-CG 3.21Å; Q268-K272 PolarHBondContact O-N 3.5Å; L270-K272 PolarHBondContact O-N 3.12Å; K272-R276 WeakPolarHBondContact O-CG 3.25Å; K272-R276 PolarHBondContact O-N 2.87Å; K272-R276 VanDerWaalsContact O-N 3.15Å
273	Q	94.6	Very high	95.2	Very high	79 Å²	79	68 Å²	68	37%	0.369	32%	0.322	S	S	.	.	H	α-helix	trans	-65.2	-44.2	174.3	-78.6	176.1	-9.8	0	0	111.5	N269 L270 I271 E275 R276 I277 I350	N269-Q273 WeakPolarHBondContact O-CG 3.42Å; N269-Q273 PolarHBondContact O-N 3.44Å; L270-Q273 WeakPolarHBondContact O-CB 3.44Å; L270-Q273 PolarHBondContact O-N 3.43Å; L270-Q273 VanDerWaalsContact O-N 3.15Å; I271-Q273 VanDerWaalsContact C-N 3.31Å; I271-Q273 PolarHBondContact O-N 3.46Å; Q273-E275 PolarHBondContact O-N 3.5Å; Q273-R276 PolarHBondContact O-N 3.41Å; Q273-I277 PolarHBondContact O-N 2.84Å; Q273-I350 HydrophobicContact CB-CD1 3.62Å
274	Q	94.8	Very high	95.1	Very high	37 Å²	37	66.4 Å²	66.4	17%	0.173	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-43.1	177.6	-172.8	62.6	56.8	0	0	111.9	L270 I271 R276 I277 N278 I350	L270-Q274 WeakPolarHBondContact O-CB 3.35Å; L270-Q274 PolarHBondContact O-N 3.3Å; I271-Q274 WeakPolarHBondContact O-CB 3.43Å; I271-Q274 PolarHBondContact O-N 3.47Å; I271-Q274 VanDerWaalsContact O-N 3.16Å; Q274-R276 PolarHBondContact O-N 3.33Å; Q274-I277 PolarHBondContact O-N 3.44Å; Q274-N278 PolarHBondContact NE2-OD1 3.48Å; Q274-N278 WeakPolarHBondContact O-CB 3.43Å; Q274-N278 VanDerWaalsContact O-CG 3.26Å; Q274-N278 PolarHBondContact O-N 3.21Å; Q274-I350 HydrophobicContact CB-CG2 4.38Å
275	E	95.4	Very high	95.1	Very high	121 Å²	121	69.3 Å²	69.3	57%	0.565	33%	0.325	S	S	*	.	H	α-helix	trans	-60.3	-42.9	174.8	-72.4	171	170.6	0	0	111.9	I271 Q273 N278 S279	I271-E275 WeakPolarHBondContact O-CG 3.35Å; I271-E275 PolarHBondContact O-N 2.89Å; Q273-E275 PolarHBondContact O-N 3.5Å; E275-N278 PolarHBondContact O-N 3.18Å; E275-S279 WeakPolarHBondContact O-CB 2.78Å; E275-S279 PolarHBondContact O-N 3.07Å
276	R	95.8	Very high	95	Very high	154 Å²	154	69.4 Å²	69.4	58%	0.581	32%	0.324	S	S	*	.	H	α-helix	trans	-62.5	-45.1	176.1	-74.4	-172.1	-61.7	-140.5	3.6	112.4	K272 Q273 Q274 N278 S279 Q280	K272-R276 WeakPolarHBondContact O-CG 3.25Å; K272-R276 PolarHBondContact O-N 2.87Å; K272-R276 VanDerWaalsContact O-N 3.15Å; Q273-R276 PolarHBondContact O-N 3.41Å; Q274-R276 PolarHBondContact O-N 3.33Å; R276-N278 VanDerWaalsContact C-N 3.34Å; R276-S279 PolarHBondContact O-N 3.44Å; R276-Q280 WeakPolarHBondContact O-CG 3.38Å; R276-Q280 PolarHBondContact O-N 3.45Å
277	I	94.5	Very high	94.9	Very high	9 Å²	9	72.9 Å²	72.9	5%	0.046	34%	0.338	C	S	.	.	H	α-helix	trans	-62.4	-44	177	-70.7	-176.5	0	0	0	110.7	Q273 Q274 S279 Q280 R281 L343 E346 E347 I350	Q273-I277 PolarHBondContact O-N 2.84Å; Q274-I277 PolarHBondContact O-N 3.44Å; I277-S279 VanDerWaalsContact C-N 3.34Å; I277-S279 PolarHBondContact O-N 3.01Å; I277-Q280 PolarHBondContact O-N 3.39Å; I277-R281 WeakPolarHBondContact O-CB 3.36Å; I277-R281 PolarHBondContact O-N 3.01Å; I277-L343 HydrophobicContact CG2-CB 4.31Å; I277-L343 HydrophobicContact CG2-CD2 4.27Å; I277-E346 HydrophobicContact CD1-CB 3.51Å; I277-E347 HydrophobicContact CG2-CB 4.38Å; I277-I350 HydrophobicContact CD1-CD1 3.43Å; I277-I350 VanDerWaalsContact CD1-CD1 3.43Å; I277-I350 HydrophobicContact CD1-CG1 4.42Å; I277-I350 HydrophobicContact CG1-CD1 4.38Å
278	N	94.3	Very high	94.8	Very high	46 Å²	46	76.6 Å²	76.6	25%	0.246	35%	0.352	C	S	.	.	H	α-helix	trans	-61.1	-44.4	177.8	-74.6	-14.5	0	0	0	111.4	Q274 E275 R276 R281 E282	Q274-N278 PolarHBondContact NE2-OD1 3.48Å; Q274-N278 WeakPolarHBondContact O-CB 3.43Å; Q274-N278 VanDerWaalsContact O-CG 3.26Å; Q274-N278 PolarHBondContact O-N 3.21Å; E275-N278 PolarHBondContact O-N 3.18Å; R276-N278 VanDerWaalsContact C-N 3.34Å; N278-R281 WeakPolarHBondContact O-CB 3.28Å; N278-R281 PolarHBondContact O-N 2.91Å; N278-E282 WeakPolarHBondContact O-CG 3.49Å; N278-E282 PolarHBondContact O-N 3.28Å
279	S	96	Very high	94.6	Very high	58 Å²	58	78.6 Å²	78.6	41%	0.406	36%	0.36	S	S	.	.	H	α-helix	trans	-61	-46.3	176	178.9	0	0	0	0	112	E275 R276 I277 R281 E282 D283	E275-S279 WeakPolarHBondContact O-CB 2.78Å; E275-S279 PolarHBondContact O-N 3.07Å; R276-S279 PolarHBondContact O-N 3.44Å; I277-S279 VanDerWaalsContact C-N 3.34Å; I277-S279 PolarHBondContact O-N 3.01Å; S279-R281 VanDerWaalsContact C-N 3.34Å; S279-R281 PolarHBondContact O-N 3.39Å; S279-E282 PolarHBondContact O-N 2.98Å; S279-D283 PolarHBondContact O-N 2.88Å
280	Q	95.3	Very high	94.4	Very high	98 Å²	98	79.7 Å²	79.7	46%	0.458	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-39.1	175.7	-72.2	177.4	-39.4	0	0	112.6	R276 I277 D283 I284 L343	R276-Q280 WeakPolarHBondContact O-CG 3.38Å; R276-Q280 PolarHBondContact O-N 3.45Å; I277-Q280 PolarHBondContact O-N 3.39Å; Q280-D283 PolarHBondContact O-N 3.04Å; Q280-I284 WeakPolarHBondContact O-CG1 3.5Å; Q280-I284 PolarHBondContact O-N 3.43Å; Q280-L343 HydrophobicContact CB-CD1 3.94Å; Q280-L343 HydrophobicContact CB-CD2 4.26Å
281	R	95.1	Very high	94.1	Very high	91 Å²	91	79.4 Å²	79.4	34%	0.343	36%	0.363	S	S	.	.	H	α-helix	trans	-62.5	-45.7	176.3	-174.6	177.7	73.6	-165.4	-0.5	110.9	I277 N278 S279 I284 E285 L340 L343 E347	I277-R281 WeakPolarHBondContact O-CB 3.36Å; I277-R281 PolarHBondContact O-N 3.01Å; N278-R281 WeakPolarHBondContact O-CB 3.28Å; N278-R281 PolarHBondContact O-N 2.91Å; S279-R281 VanDerWaalsContact C-N 3.34Å; S279-R281 PolarHBondContact O-N 3.39Å; R281-I284 PolarHBondContact O-N 3.49Å; R281-E285 WeakPolarHBondContact O-CB 3.45Å; R281-E285 PolarHBondContact O-N 3.5Å; R281-L340 HydrophobicContact CG-CD1 3.72Å; R281-L343 HydrophobicContact CB-CD1 4.13Å; R281-E347 IonicContact NH1-OE1 2.75Å; R281-E347 PolarHBondContact NH1-OE1 3.25Å; R281-E347 IonicContact NH1-OE2 3.35Å; R281-E347 PolarHBondContact NH1-OE2 3.1Å
282	E	95.2	Very high	93.7	Very high	102 Å²	102	78.4 Å²	78.4	48%	0.477	37%	0.366	S	S	.	.	H	α-helix	trans	-63.1	-40.7	176.1	-73.3	179.3	-168.5	0	0	112.4	N278 S279 E285 R286	N278-E282 WeakPolarHBondContact O-CG 3.49Å; N278-E282 PolarHBondContact O-N 3.28Å; S279-E282 PolarHBondContact O-N 2.98Å; E282-E285 PolarHBondContact O-N 3.47Å; E282-R286 WeakPolarHBondContact O-CB 3.2Å; E282-R286 WeakPolarHBondContact O-CG 3.5Å; E282-R286 PolarHBondContact O-N 3.17Å; E282-R286 IonicContact OE2-NH1 3.17Å; E282-R286 PolarHBondContact OE2-NH1 2.95Å
283	D	95.6	Very high	93.3	Very high	68 Å²	68	81.3 Å²	81.3	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-45.7	175.9	-80.6	-30.8	0	0	0	112.4	S279 Q280 E285 R286 Q287	S279-D283 PolarHBondContact O-N 2.88Å; Q280-D283 PolarHBondContact O-N 3.04Å; D283-E285 VanDerWaalsContact C-N 3.31Å; D283-E285 PolarHBondContact O-N 2.93Å; D283-R286 WeakPolarHBondContact O-CB 3.45Å; D283-R286 PolarHBondContact O-N 3.34Å; D283-R286 IonicContact OD1-CZ 3.34Å; D283-R286 IonicContact OD1-NE 3.26Å; D283-R286 PolarHBondContact OD1-NE 3.46Å; D283-R286 IonicContact OD1-NH2 2.64Å; D283-R286 PolarHBondContact OD1-NH2 3Å; D283-Q287 WeakPolarHBondContact O-CG 3.43Å; D283-Q287 PolarHBondContact O-N 3.43Å
284	I	93.8	Very high	92.8	Very high	14 Å²	14	83.4 Å²	83.4	7%	0.072	38%	0.383	C	S	.	.	H	α-helix	trans	-61.8	-42.4	175.8	-70.1	167.7	0	0	0	110.3	Q280 R281 R286 Q287 R288 F336 R339 L343	Q280-I284 WeakPolarHBondContact O-CG1 3.5Å; Q280-I284 PolarHBondContact O-N 3.43Å; R281-I284 PolarHBondContact O-N 3.49Å; I284-R286 VanDerWaalsContact C-N 3.34Å; I284-R286 PolarHBondContact O-N 2.81Å; I284-Q287 PolarHBondContact O-N 2.81Å; I284-R288 HydrophobicContact CG2-CG 4.37Å; I284-R288 WeakPolarHBondContact O-CG 3.22Å; I284-R288 PolarHBondContact O-N 2.95Å; I284-F336 HydrophobicContact CG2-CB 4.1Å; I284-F336 HydrophobicContact CG2-CD1 3.96Å; I284-F336 HydrophobicContact CG2-CG 4.32Å; I284-R339 HydrophobicContact CD1-CB 3.74Å; I284-L343 HydrophobicContact CD1-CD1 3.65Å
285	E	93.7	Very high	92.3	Very high	68 Å²	68	86.1 Å²	86.1	32%	0.318	40%	0.395	S	S	.	.	H	α-helix	trans	-67.6	-35.4	178.9	-167.7	57	-147.9	0	0	112	R281 E282 D283 R288 K289	R281-E285 WeakPolarHBondContact O-CB 3.45Å; R281-E285 PolarHBondContact O-N 3.5Å; E282-E285 PolarHBondContact O-N 3.47Å; D283-E285 VanDerWaalsContact C-N 3.31Å; D283-E285 PolarHBondContact O-N 2.93Å; E285-R288 IonicContact OE2-NH1 3.03Å; E285-R288 PolarHBondContact OE2-NH1 3.41Å; E285-K289 WeakPolarHBondContact O-CG 3.5Å; E285-K289 PolarHBondContact O-N 3.14Å
286	R	95	Very high	91.5	Very high	122 Å²	122	81 Å²	81	46%	0.46	37%	0.372	S	S	.	.	H	α-helix	trans	-61.1	-46.6	169.1	-76.7	-172.6	-79	-96.8	7.7	111.4	E282 D283 I284 K289 L290	E282-R286 WeakPolarHBondContact O-CB 3.2Å; E282-R286 WeakPolarHBondContact O-CG 3.5Å; E282-R286 PolarHBondContact O-N 3.17Å; E282-R286 IonicContact OE2-NH1 3.17Å; E282-R286 PolarHBondContact OE2-NH1 2.95Å; D283-R286 WeakPolarHBondContact O-CB 3.45Å; D283-R286 PolarHBondContact O-N 3.34Å; D283-R286 IonicContact OD1-CZ 3.34Å; D283-R286 IonicContact OD1-NE 3.26Å; D283-R286 PolarHBondContact OD1-NE 3.46Å; D283-R286 IonicContact OD1-NH2 2.64Å; D283-R286 PolarHBondContact OD1-NH2 3Å; I284-R286 VanDerWaalsContact C-N 3.34Å; I284-R286 PolarHBondContact O-N 2.81Å; R286-K289 PolarHBondContact O-N 2.97Å; R286-L290 WeakPolarHBondContact O-CG 3.37Å; R286-L290 PolarHBondContact O-N 2.91Å; R286-L290 VanDerWaalsContact O-N 3.08Å
287	Q	93.1	Very high	90.2	Very high	88 Å²	88	79 Å²	79	41%	0.411	38%	0.379	S	S	.	.	H	α-helix	trans	-63.9	-41.2	178.1	-72.4	176.5	-16.1	0	0	112.3	D283 I284 K289 L290 L291 F336	D283-Q287 WeakPolarHBondContact O-CG 3.43Å; D283-Q287 PolarHBondContact O-N 3.43Å; I284-Q287 PolarHBondContact O-N 2.81Å; Q287-K289 PolarHBondContact O-N 2.94Å; Q287-L290 WeakPolarHBondContact O-CB 3.39Å; Q287-L290 PolarHBondContact O-N 3.47Å; Q287-L290 VanDerWaalsContact O-N 3.16Å; Q287-L291 WeakPolarHBondContact O-CB 3.28Å; Q287-L291 PolarHBondContact O-N 3.42Å; Q287-F336 HydrophobicContact CB-CE1 3.93Å; Q287-F336 HydrophobicContact CB-CE2 4.3Å; Q287-F336 HydrophobicContact CB-CZ 3.67Å
288	R	92.8	Very high	88.4	Confident	83 Å²	83	82.6 Å²	82.6	31%	0.313	41%	0.405	S	S	.	.	H	α-helix	trans	-61.1	-41.9	174	-73.8	-179.8	76.2	-147.1	4.4	112.3	I284 E285 L290 L291 A292 F336	I284-R288 HydrophobicContact CG2-CG 4.37Å; I284-R288 WeakPolarHBondContact O-CG 3.22Å; I284-R288 PolarHBondContact O-N 2.95Å; E285-R288 IonicContact OE2-NH1 3.03Å; E285-R288 PolarHBondContact OE2-NH1 3.41Å; R288-L290 VanDerWaalsContact C-N 3.3Å; R288-L290 PolarHBondContact O-N 3.12Å; R288-L291 PolarHBondContact O-N 3.37Å; R288-A292 WeakPolarHBondContact O-CB 3.14Å; R288-A292 PolarHBondContact O-N 3.39Å; R288-F336 HydrophobicContact CG-CB 3.62Å; R288-F336 HydrophobicContact CG-CD2 3.68Å; R288-F336 HydrophobicContact CG-CG 3.74Å
289	K	92.1	Very high	86.4	Confident	132 Å²	132	85.4 Å²	85.4	57%	0.574	42%	0.418	S	S	*	.	H	α-helix	trans	-62.5	-36.4	174.4	-73.9	174.1	-177.1	177.6	0	112.3	E285 R286 Q287	E285-K289 WeakPolarHBondContact O-CG 3.5Å; E285-K289 PolarHBondContact O-N 3.14Å; R286-K289 PolarHBondContact O-N 2.97Å; Q287-K289 PolarHBondContact O-N 2.94Å
290	L	90.8	Very high	84.2	Confident	103 Å²	103	86.7 Å²	86.7	54%	0.539	43%	0.432	S	S	.	.	H	α-helix	trans	-70.6	-43	173.9	-69.5	171.6	0	0	0	111.9	R286 Q287 R288 A292 K293	R286-L290 WeakPolarHBondContact O-CG 3.37Å; R286-L290 PolarHBondContact O-N 2.91Å; R286-L290 VanDerWaalsContact O-N 3.08Å; Q287-L290 WeakPolarHBondContact O-CB 3.39Å; Q287-L290 PolarHBondContact O-N 3.47Å; Q287-L290 VanDerWaalsContact O-N 3.16Å; R288-L290 VanDerWaalsContact C-N 3.3Å; R288-L290 PolarHBondContact O-N 3.12Å; L290-A292 VanDerWaalsContact C-N 3.31Å; L290-A292 PolarHBondContact O-N 2.98Å; L290-K293 WeakPolarHBondContact O-CB 3.4Å; L290-K293 PolarHBondContact O-N 3.25Å; L290-K293 VanDerWaalsContact O-N 3.12Å
291	L	88	Confident	81.7	Confident	9 Å²	9	90.2 Å²	90.2	5%	0.047	45%	0.448	C	S	.	.	H	α-helix	trans	-58.8	-43.5	175	-179.7	63.4	0	0	0	110.9	Q287 R288 K293 R294 K295 L324 Y329 Q332 E333 F336	Q287-L291 WeakPolarHBondContact O-CB 3.28Å; Q287-L291 PolarHBondContact O-N 3.42Å; R288-L291 PolarHBondContact O-N 3.37Å; L291-K293 PolarHBondContact O-N 3.1Å; L291-K293 VanDerWaalsContact O-N 3.17Å; L291-R294 CarbonylContact O-C 3.26Å; L291-R294 WeakPolarHBondContact O-CA 3.45Å; L291-R294 PolarHBondContact O-N 3.28Å; L291-K295 PolarHBondContact O-N 3.04Å; L291-L324 HydrophobicContact CD1-CD1 3.57Å; L291-Y329 HydrophobicContact CD1-CD2 3.65Å; L291-Y329 HydrophobicContact CD1-CE2 3.94Å; L291-Y329 HydrophobicContact CD2-CE2 4.36Å; L291-Y329 HydrophobicContact CG-CD2 3.9Å; L291-Y329 HydrophobicContact CG-CE2 3.67Å; L291-Y329 WeakPolarHBondContact O-CE2 3.49Å; L291-Q332 HydrophobicContact CD1-CB 4.18Å; L291-Q332 HydrophobicContact CD2-CB 3.71Å; L291-E333 HydrophobicContact CD2-CB 4.35Å; L291-F336 HydrophobicContact CB-CE2 4.32Å; L291-F336 HydrophobicContact CD2-CD2 3.88Å; L291-F336 HydrophobicContact CD2-CE2 3.82Å
292	A	86.6	Confident	78.9	Confident	55 Å²	55	92.3 Å²	92.3	46%	0.455	47%	0.471	S	S	.	.	H	α-helix	trans	-57.6	-30	176.9	0	0	0	0	0	113.5	R288 L290 R294 K295	R288-A292 WeakPolarHBondContact O-CB 3.14Å; R288-A292 PolarHBondContact O-N 3.39Å; L290-A292 VanDerWaalsContact C-N 3.31Å; L290-A292 PolarHBondContact O-N 2.98Å; A292-R294 VanDerWaalsContact C-N 3.3Å; A292-K295 WeakPolarHBondContact O-CB 3.44Å
293	K	87.6	Confident	76.5	Confident	171 Å²	171	92.8 Å²	92.8	74%	0.743	48%	0.483	S	S	*	.	H	α-helix	trans	-74.1	-19.4	174.1	-64.7	177.3	-178.5	-176.7	0	113.3	L290 L291	L290-K293 WeakPolarHBondContact O-CB 3.4Å; L290-K293 PolarHBondContact O-N 3.25Å; L290-K293 VanDerWaalsContact O-N 3.12Å; L291-K293 PolarHBondContact O-N 3.1Å; L291-K293 VanDerWaalsContact O-N 3.17Å
294	R	84.3	Confident	74.1	Confident	122 Å²	122	95 Å²	95	46%	0.46	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	16.1	179	-62.9	-177.3	175	177.4	-4.1	113	L291 A292 L324	L291-R294 CarbonylContact O-C 3.26Å; L291-R294 WeakPolarHBondContact O-CA 3.45Å; L291-R294 PolarHBondContact O-N 3.28Å; A292-R294 VanDerWaalsContact C-N 3.3Å; R294-L324 HydrophobicContact CB-CD1 4.3Å
295	K	82.7	Confident	71.9	Confident	94 Å²	94	100.1 Å²	100.1	41%	0.409	54%	0.536	S	S	.	.			trans	-62.6	131.2	-176.8	-171.3	175	-177.7	-179.6	0	111.2	L291 A292 M299 Y329	L291-K295 PolarHBondContact O-N 3.04Å; A292-K295 WeakPolarHBondContact O-CB 3.44Å; K295-M299 WeakPolarHBondContact CE-SD 3.43Å; K295-M299 PolarHBondContact NZ-SD 3.32Å; K295-Y329 HydrophobicContact CB-CE2 3.9Å; K295-Y329 HydrophobicContact CG-CE1 4.4Å; K295-Y329 HydrophobicContact CG-CE2 4.1Å
296	P	80.1	Confident	69.5	Low	14 Å²	14	102 Å²	102	9%	0.091	56%	0.556	C	S	.	*			trans	-68	147.9	-179.5	-16.9	29.5	0	0	0	112.7	S298 L324	P296-S298 VanDerWaalsContact C-N 3.28Å; P296-S298 PolarHBondContact O-N 3.28Å; P296-S298 VanDerWaalsContact O-N 3.13Å; P296-L324 WeakPolarHBondContact CG-O 3.5Å
297	P	67.8	Low	66.8	Low	112 Å²	112	104.1 Å²	104.1	73%	0.727	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-72.2	0.6	-171.1	23.8	-31.3	0	0	0	116.8	M299	P297-M299 PolarHBondContact O-N 2.89Å
298	S	56.9	Low	64.4	Low	85 Å²	85	108 Å²	108	59%	0.594	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-77.4	-4	-179.7	86.8	0	0	0	0	114.9	P296	P296-S298 VanDerWaalsContact C-N 3.28Å; P296-S298 PolarHBondContact O-N 3.28Å; P296-S298 VanDerWaalsContact O-N 3.13Å
299	M	51.6	Low	61.8	Low	105 Å²	105	112.2 Å²	112.2	52%	0.517	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-92.6	4.4	177	-90.9	-148.4	-161.6	0	0	115.2	K295 P297	K295-M299 WeakPolarHBondContact CE-SD 3.43Å; K295-M299 PolarHBondContact NZ-SD 3.32Å; P297-M299 PolarHBondContact O-N 2.89Å
300	A	51.1	Low	59.2	Low	84 Å²	84	112.8 Å²	112.8	69%	0.694	63%	0.626	S	S	*	*			trans	-106.7	82.9	172.9	0	0	0	0	0	110.9
301	Q	41.9	Very low	56.5	Low	173 Å²	173	116.3 Å²	116.3	81%	0.808	64%	0.638	S	S	*	*			trans	-123.4	115.9	159.2	-68	-175.6	11.2	0	0	105.6
302	T	35.7	Very low	54.1	Low	134 Å²	134	126.6 Å²	126.6	82%	0.822	68%	0.676	S	S	*	*				-145.8	138	52.4	45.1	0	0	0	0	113.5
303	P	45.1	Very low	52	Low	112 Å²	112	134.1 Å²	134.1	73%	0.727	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-96.4	148.3	156.4	17.3	0.2	0	0	0	111.6
304	P	45.3	Very low	49.3	Very low	115 Å²	115	130.8 Å²	130.8	75%	0.747	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-74.6	156.4	168.9	32.6	-32.1	0	0	0	110.6
305	P	46.9	Very low	47.4	Very low	122 Å²	122	135 Å²	135	79%	0.792	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-83	130.3	-177.2	33.3	-29.8	0	0	0	110.3
306	S	43.2	Very low	45	Very low	106 Å²	106	136.2 Å²	136.2	74%	0.741	73%	0.733	S	S	*	*				149.8	147.2	123	63.4	0	0	0	0	114.8
307	L	39.4	Very low	43.1	Very low	167 Å²	167	144 Å²	144	87%	0.874	77%	0.774	S	S	*	*			trans	94.2	117.4	154.5	-69.7	153.5	0	0	0	119.6
308	E	42.7	Very low	41.5	Very low	169 Å²	169	141.8 Å²	141.8	79%	0.79	77%	0.771	S	S	*	*			trans	-56.8	150.5	173.1	-59.4	177.2	131.7	0	0	113.9
309	Q	37.7	Very low	40.7	Very low	172 Å²	172	144.8 Å²	144.8	80%	0.804	79%	0.786	S	S	*	*				169.6	129.2	108.3	-93.4	-179.2	-1.8	0	0	112.9
310	N	37.6	Very low	40.3	Very low	144 Å²	144	148.6 Å²	148.6	77%	0.77	80%	0.803	S	S	*	*			trans	33.3	120.8	142.2	-76.1	-33.2	0	0	0	121.1
311	K	35.2	Very low	40.3	Very low	178 Å²	178	148.1 Å²	148.1	77%	0.774	80%	0.795	S	S	*	*				173.1	133.9	111.1	-97.1	170.4	-178.3	169.8	0	114.9
312	R	36.6	Very low	41.1	Very low	224 Å²	224	148 Å²	148	85%	0.845	79%	0.794	S	S	*	*			trans	66.6	125.4	135.3	-70.7	178.6	176	-179.1	-2.6	121.7
313	K	43	Very low	42.5	Very low	214 Å²	214	146.5 Å²	146.5	93%	0.93	79%	0.785	S	S	*	*			trans	-31.7	134.7	157	-69.4	172.7	173.3	175.4	0	115
314	S	31.2	Very low	43.9	Very low	100 Å²	100	142.8 Å²	142.8	70%	0.699	76%	0.759	S	S	*	*			trans	-148.9	117.3	139.5	-177.1	0	0	0	0	109.3
315	K	44.2	Very low	45.6	Very low	212 Å²	212	140.4 Å²	140.4	92%	0.922	75%	0.745	S	S	*	*			trans	-78.8	113.5	163.7	-98.8	-178.7	171.1	-178.4	0	106.7
316	T	32.2	Very low	47.3	Very low	119 Å²	119	137.5 Å²	137.5	73%	0.73	72%	0.72	S	S	*	*			trans	-144.2	124.3	160.8	38.2	0	0	0	0	108.4	G318	T316-G318 PolarHBondContact O-N 3.1Å
317	N	40.2	Very low	49.3	Very low	178 Å²	178	135.7 Å²	135.7	95%	0.952	71%	0.712	S	S	*	*			trans	-39.9	111.6	-178.7	-68.7	-20	0	0	0	112.9
318	G	34.5	Very low	51.5	Low	64 Å²	64	132.2 Å²	132.2	66%	0.66	69%	0.691	S	S	*	*			trans	-108.1	119.5	167.9	0	0	0	0	0	108.6	T316 E320	T316-G318 PolarHBondContact O-N 3.1Å; G318-E320 PolarHBondContact O-N 3.4Å
319	T	40.3	Very low	53.6	Low	149 Å²	149	124.9 Å²	124.9	91%	0.914	66%	0.656	S	S	*	*			trans	-54.4	108	160.7	-12.9	0	0	0	0	106.9	S321	T319-S321 PolarHBondContact O-N 2.92Å
320	E	42.8	Very low	56	Low	184 Å²	184	120.4 Å²	120.4	86%	0.86	64%	0.635	S	S	*	*			trans	-60.1	105.2	175.8	-72.2	-177.4	161.2	0	0	108.1	G318 E322	G318-E320 PolarHBondContact O-N 3.4Å; E320-E322 VanDerWaalsContact C-N 3.31Å; E320-E322 PolarHBondContact O-N 3.23Å
321	S	50.3	Low	58.6	Low	75 Å²	75	119.5 Å²	119.5	52%	0.524	63%	0.626	S	S	.	*			trans	-71.3	96.1	164.3	177.8	0	0	0	0	106.2	T319 T323	T319-S321 PolarHBondContact O-N 2.92Å; S321-T323 PolarHBondContact O-N 3.45Å
322	E	60.2	Low	61.2	Low	171 Å²	171	114.5 Å²	114.5	80%	0.799	61%	0.606	S	S	*	*			trans	-42.2	114.6	169.8	-78.5	179.9	153.8	0	0	109.1	E320	E320-E322 VanDerWaalsContact C-N 3.31Å; E320-E322 PolarHBondContact O-N 3.23Å
323	T	63.7	Low	63.8	Low	102 Å²	102	107.3 Å²	107.3	63%	0.626	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-80.2	124.6	174.7	38	0	0	0	0	106.9	S321	S321-T323 PolarHBondContact O-N 3.45Å
324	L	74.5	Confident	66.3	Low	34 Å²	34	101.3 Å²	101.3	18%	0.178	56%	0.557	C	S	.	*	P	Polyproline II helix	trans	-66	152.9	-179.4	-76.3	158	0	0	0	110.5	L291 R294 P296 E328	L291-L324 HydrophobicContact CD1-CD1 3.57Å; R294-L324 HydrophobicContact CB-CD1 4.3Å; P296-L324 WeakPolarHBondContact CG-O 3.5Å; L324-E328 HydrophobicContact CB-CB 4.42Å; L324-E328 HydrophobicContact CD2-CB 4.05Å
325	S	82.4	Confident	69.3	Low	65 Å²	65	99.6 Å²	99.6	46%	0.455	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-62.1	152.9	166.7	176.4	0	0	0	0	110.5	A327 E328 Y329	S325-A327 PolarHBondContact O-N 2.93Å; S325-E328 WeakPolarHBondContact CB-OE2 3.3Å; S325-E328 PolarHBondContact N-OE2 3.4Å; S325-E328 PolarHBondContact O-N 3.4Å; S325-E328 VanDerWaalsContact O-N 3.17Å; S325-Y329 PolarHBondContact O-N 3.18Å
326	Q	80.9	Confident	71.6	Confident	60 Å²	60	90.3 Å²	90.3	28%	0.28	50%	0.499	S	S	.	.	H	α-helix	trans	-55.7	-39.9	177.4	-170.3	67.1	25.8	0	0	112.2	H330	Q326-H330 PolarHBondContact NE2-CD2 3.38Å; Q326-H330 PolarHBondContact NE2-NE2 3.49Å; Q326-H330 PolarHBondContact O-CD2 3.5Å; Q326-H330 PolarHBondContact O-N 3.42Å
327	A	85.2	Confident	74.6	Confident	68 Å²	68	90.8 Å²	90.8	56%	0.562	49%	0.491	S	S	*	.	H	α-helix	trans	-66.5	-45.1	178.2	0	0	0	0	0	111.7	S325 Y329 H330 E331	S325-A327 PolarHBondContact O-N 2.93Å; A327-Y329 PolarHBondContact O-N 2.94Å; A327-H330 PolarHBondContact O-N 2.94Å; A327-E331 WeakPolarHBondContact O-CB 3.45Å; A327-E331 PolarHBondContact O-N 2.97Å
328	E	86.1	Confident	77.2	Confident	94 Å²	94	87.8 Å²	87.8	44%	0.439	47%	0.474	S	S	.	.	H	α-helix	trans	-66.1	-37.4	-179.5	-63	171	144.5	0	0	112	L324 S325 Q332	L324-E328 HydrophobicContact CB-CB 4.42Å; L324-E328 HydrophobicContact CD2-CB 4.05Å; S325-E328 WeakPolarHBondContact CB-OE2 3.3Å; S325-E328 PolarHBondContact N-OE2 3.4Å; S325-E328 PolarHBondContact O-N 3.4Å; S325-E328 VanDerWaalsContact O-N 3.17Å; E328-Q332 WeakPolarHBondContact O-CG 3.38Å; E328-Q332 PolarHBondContact O-N 2.75Å
329	Y	87.9	Confident	80.1	Confident	16 Å²	16	91.2 Å²	91.2	6%	0.063	47%	0.467	C	S	.	.	H	α-helix	trans	-62.4	-49.2	175.1	179.5	-88.5	0	0	0	111.7	L291 K295 S325 A327 E331 Q332 E333	L291-Y329 HydrophobicContact CD1-CD2 3.65Å; L291-Y329 HydrophobicContact CD1-CE2 3.94Å; L291-Y329 HydrophobicContact CD2-CE2 4.36Å; L291-Y329 HydrophobicContact CG-CD2 3.9Å; L291-Y329 HydrophobicContact CG-CE2 3.67Å; L291-Y329 WeakPolarHBondContact O-CE2 3.49Å; K295-Y329 HydrophobicContact CB-CE2 3.9Å; K295-Y329 HydrophobicContact CG-CE1 4.4Å; K295-Y329 HydrophobicContact CG-CE2 4.1Å; S325-Y329 PolarHBondContact O-N 3.18Å; A327-Y329 PolarHBondContact O-N 2.94Å; Y329-E331 VanDerWaalsContact C-N 3.34Å; Y329-Q332 PolarHBondContact O-N 3.23Å; Y329-E333 WeakPolarHBondContact O-CB 3.34Å; Y329-E333 PolarHBondContact O-N 2.96Å
330	H	87.3	Confident	82.7	Confident	78 Å²	78	86.4 Å²	86.4	36%	0.361	44%	0.436	S	S	.	.	H	α-helix	trans	-65	-38.7	179.3	-79.4	-57.7	0	0	0	112.3	Q326 A327 E333 E334	Q326-H330 PolarHBondContact NE2-CD2 3.38Å; Q326-H330 PolarHBondContact NE2-NE2 3.49Å; Q326-H330 PolarHBondContact O-CD2 3.5Å; Q326-H330 PolarHBondContact O-N 3.42Å; A327-H330 PolarHBondContact O-N 2.94Å; H330-E333 IonicContact ND1-OE2 3.78Å; H330-E333 PolarHBondContact O-N 3.25Å; H330-E334 WeakPolarHBondContact O-CB 3.5Å; H330-E334 PolarHBondContact O-N 2.94Å
331	E	92	Very high	85.1	Confident	124 Å²	124	79.7 Å²	79.7	58%	0.579	42%	0.416	S	S	*	.	H	α-helix	trans	-59.6	-49.6	174.3	-175.6	-178.7	-179.1	0	0	111.1	A327 Y329 E333 E334 I335	A327-E331 WeakPolarHBondContact O-CB 3.45Å; A327-E331 PolarHBondContact O-N 2.97Å; Y329-E331 VanDerWaalsContact C-N 3.34Å; E331-E333 PolarHBondContact O-N 3.16Å; E331-E334 PolarHBondContact O-N 2.79Å; E331-I335 HydrophobicContact CG-CD1 3.97Å; E331-I335 VanDerWaalsContact O-CG1 3.25Å; E331-I335 WeakPolarHBondContact O-CG1 3.5Å; E331-I335 PolarHBondContact O-N 2.76Å
332	Q	90.3	Very high	87.3	Confident	73 Å²	73	82.7 Å²	82.7	34%	0.341	42%	0.417	S	S	.	.	H	α-helix	trans	-64.4	-38.5	178	-70.7	-163.5	8.7	0	0	112.9	L291 E328 Y329 I335 F336	L291-Q332 HydrophobicContact CD1-CB 4.18Å; L291-Q332 HydrophobicContact CD2-CB 3.71Å; E328-Q332 WeakPolarHBondContact O-CG 3.38Å; E328-Q332 PolarHBondContact O-N 2.75Å; Y329-Q332 PolarHBondContact O-N 3.23Å; Q332-I335 PolarHBondContact O-N 3.49Å; Q332-F336 HydrophobicContact CB-CE2 4.31Å; Q332-F336 WeakPolarHBondContact O-CD2 3.44Å; Q332-F336 WeakPolarHBondContact O-CG 3.5Å; Q332-F336 PolarHBondContact O-N 3.38Å
333	E	91.7	Very high	88.9	Confident	73 Å²	73	74.9 Å²	74.9	34%	0.341	38%	0.381	S	S	.	.	H	α-helix	trans	-60.7	-46.1	175.7	-177	174.3	-144	0	0	111.7	L291 Y329 H330 E331 F336 K337	L291-E333 HydrophobicContact CD2-CB 4.35Å; Y329-E333 WeakPolarHBondContact O-CB 3.34Å; Y329-E333 PolarHBondContact O-N 2.96Å; H330-E333 IonicContact ND1-OE2 3.78Å; H330-E333 PolarHBondContact O-N 3.25Å; E331-E333 PolarHBondContact O-N 3.16Å; E333-F336 PolarHBondContact O-N 3.26Å; E333-K337 WeakPolarHBondContact O-CB 3.48Å; E333-K337 PolarHBondContact O-N 2.97Å
334	E	93.6	Very high	90.4	Very high	88 Å²	88	77.2 Å²	77.2	41%	0.411	38%	0.382	S	S	.	.	H	α-helix	trans	-67.2	-39.8	178.7	-169.3	62.8	-164.2	0	0	111.4	H330 E331 F336 K337 L338	H330-E334 WeakPolarHBondContact O-CB 3.5Å; H330-E334 PolarHBondContact O-N 2.94Å; E331-E334 PolarHBondContact O-N 2.79Å; E334-F336 PolarHBondContact O-N 2.75Å; E334-K337 PolarHBondContact O-N 3.17Å; E334-K337 IonicContact OE2-NZ 3.58Å; E334-L338 HydrophobicContact CG-CD1 4.31Å; E334-L338 WeakPolarHBondContact O-CB 3.21Å; E334-L338 WeakPolarHBondContact O-CG 3.4Å; E334-L338 PolarHBondContact O-N 2.73Å
335	I	94.2	Very high	91.4	Very high	64 Å²	64	81.8 Å²	81.8	33%	0.328	40%	0.401	S	S	.	.	H	α-helix	trans	-57.7	-48.5	173.3	-70.8	166	0	0	0	110.9	E331 Q332 K337 L338 R339	E331-I335 HydrophobicContact CG-CD1 3.97Å; E331-I335 VanDerWaalsContact O-CG1 3.25Å; E331-I335 WeakPolarHBondContact O-CG1 3.5Å; E331-I335 PolarHBondContact O-N 2.76Å; Q332-I335 PolarHBondContact O-N 3.49Å; I335-K337 VanDerWaalsContact C-N 3.34Å; I335-K337 PolarHBondContact O-N 3.2Å; I335-L338 PolarHBondContact O-N 3.05Å; I335-R339 HydrophobicContact CG2-CG 4.5Å; I335-R339 WeakPolarHBondContact O-CG 3.21Å; I335-R339 PolarHBondContact O-N 3.18Å
336	F	94.4	Very high	92	Very high	18 Å²	18	81.2 Å²	81.2	8%	0.079	39%	0.39	C	S	.	.	H	α-helix	trans	-65.4	-39.2	179.9	-69.1	-44.5	0	0	0	112.3	I284 Q287 R288 L291 Q332 E333 E334 R339 L340	I284-F336 HydrophobicContact CG2-CB 4.1Å; I284-F336 HydrophobicContact CG2-CD1 3.96Å; I284-F336 HydrophobicContact CG2-CG 4.32Å; Q287-F336 HydrophobicContact CB-CE1 3.93Å; Q287-F336 HydrophobicContact CB-CE2 4.3Å; Q287-F336 HydrophobicContact CB-CZ 3.67Å; R288-F336 HydrophobicContact CG-CB 3.62Å; R288-F336 HydrophobicContact CG-CD2 3.68Å; R288-F336 HydrophobicContact CG-CG 3.74Å; L291-F336 HydrophobicContact CB-CE2 4.32Å; L291-F336 HydrophobicContact CD2-CD2 3.88Å; L291-F336 HydrophobicContact CD2-CE2 3.82Å; Q332-F336 HydrophobicContact CB-CE2 4.31Å; Q332-F336 WeakPolarHBondContact O-CD2 3.44Å; Q332-F336 WeakPolarHBondContact O-CG 3.5Å; Q332-F336 PolarHBondContact O-N 3.38Å; E333-F336 PolarHBondContact O-N 3.26Å; E334-F336 PolarHBondContact O-N 2.75Å; F336-R339 PolarHBondContact O-N 3.05Å; F336-L340 WeakPolarHBondContact O-CB 3.29Å; F336-L340 PolarHBondContact O-N 3.47Å
337	K	94.4	Very high	92.7	Very high	129 Å²	129	81 Å²	81	56%	0.561	39%	0.39	S	S	*	.	H	α-helix	trans	-62.4	-44.9	176.2	-175.5	-176.1	171.3	-163	0	111.7	E333 E334 I335 L340 G341	E333-K337 WeakPolarHBondContact O-CB 3.48Å; E333-K337 PolarHBondContact O-N 2.97Å; E334-K337 PolarHBondContact O-N 3.17Å; E334-K337 IonicContact OE2-NZ 3.58Å; I335-K337 VanDerWaalsContact C-N 3.34Å; I335-K337 PolarHBondContact O-N 3.2Å; K337-L340 PolarHBondContact O-N 3.25Å; K337-G341 PolarHBondContact O-N 3.06Å
338	L	95.1	Very high	93.1	Very high	114 Å²	114	80.7 Å²	80.7	60%	0.597	39%	0.387	S	S	*	.	H	α-helix	trans	-63.4	-44.9	176.1	-73.2	172.1	0	0	0	111.9	E334 I335 L340 G341 Y342	E334-L338 HydrophobicContact CG-CD1 4.31Å; E334-L338 WeakPolarHBondContact O-CB 3.21Å; E334-L338 WeakPolarHBondContact O-CG 3.4Å; E334-L338 PolarHBondContact O-N 2.73Å; I335-L338 PolarHBondContact O-N 3.05Å; L338-L340 PolarHBondContact O-N 2.88Å; L338-G341 PolarHBondContact O-N 2.84Å; L338-Y342 PolarHBondContact O-N 3.28Å
339	R	95.5	Very high	93.5	Very high	136 Å²	136	81.4 Å²	81.4	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-62	-42.3	176.7	-72.4	178.9	178.8	-173.2	1.4	112.3	I284 I335 F336 G341 Y342 L343	I284-R339 HydrophobicContact CD1-CB 3.74Å; I335-R339 HydrophobicContact CG2-CG 4.5Å; I335-R339 WeakPolarHBondContact O-CG 3.21Å; I335-R339 PolarHBondContact O-N 3.18Å; F336-R339 PolarHBondContact O-N 3.05Å; R339-G341 VanDerWaalsContact C-N 3.31Å; R339-G341 PolarHBondContact O-N 3.48Å; R339-Y342 PolarHBondContact O-N 2.93Å; R339-L343 WeakPolarHBondContact O-CG 3.43Å; R339-L343 PolarHBondContact O-N 3.2Å
340	L	93.6	Very high	93.8	Very high	49 Å²	49	81.5 Å²	81.5	26%	0.257	39%	0.392	S	S	.	.	H	α-helix	trans	-64.4	-38.5	176.4	-167.1	69.6	0	0	0	111.6	R281 F336 K337 L338 L343 K344	R281-L340 HydrophobicContact CG-CD1 3.72Å; F336-L340 WeakPolarHBondContact O-CB 3.29Å; F336-L340 PolarHBondContact O-N 3.47Å; K337-L340 PolarHBondContact O-N 3.25Å; L338-L340 PolarHBondContact O-N 2.88Å; L340-L343 PolarHBondContact O-N 3.2Å; L340-K344 WeakPolarHBondContact O-CB 3.44Å; L340-K344 PolarHBondContact O-N 3.4Å
341	G	94.6	Very high	94.1	Very high	43 Å²	43	81.9 Å²	81.9	44%	0.443	39%	0.394	S	S	.	.	H	α-helix	trans	-61.3	-41.8	172.6	0	0	0	0	0	113	K337 L338 R339 K344 K345	K337-G341 PolarHBondContact O-N 3.06Å; L338-G341 PolarHBondContact O-N 2.84Å; R339-G341 VanDerWaalsContact C-N 3.31Å; R339-G341 PolarHBondContact O-N 3.48Å; G341-K344 PolarHBondContact O-N 3.06Å; G341-K345 PolarHBondContact O-N 3.28Å
342	Y	95.3	Very high	94.1	Very high	137 Å²	137	78.7 Å²	78.7	54%	0.537	39%	0.389	S	S	.	.	H	α-helix	trans	-64.1	-49.3	175.3	180	-93.4	0	0	0	112	L338 R339 K344 K345 E346	L338-Y342 PolarHBondContact O-N 3.28Å; R339-Y342 PolarHBondContact O-N 2.93Å; Y342-K344 VanDerWaalsContact C-N 3.27Å; Y342-K344 PolarHBondContact O-N 3.37Å; Y342-K345 WeakPolarHBondContact O-CB 3.26Å; Y342-K345 PolarHBondContact O-N 2.93Å; Y342-E346 HydrophobicContact CD1-CG 4.34Å; Y342-E346 HydrophobicContact CE1-CG 3.78Å; Y342-E346 WeakPolarHBondContact CE1-OE1 2.99Å; Y342-E346 VanDerWaalsContact CE1-OE2 3.26Å; Y342-E346 WeakPolarHBondContact CE1-OE2 3.39Å; Y342-E346 VanDerWaalsContact CZ-OE1 3.25Å; Y342-E346 PolarHBondContact O-N 3.28Å; Y342-E346 PolarHBondContact OH-OE1 3.26Å
343	L	94.9	Very high	94.3	Very high	8 Å²	8	78.3 Å²	78.3	4%	0.042	39%	0.387	C	S	.	.	H	α-helix	trans	-59.4	-37.8	176.9	-70.3	179.9	0	0	0	112.3	I277 Q280 R281 I284 R339 L340 K345 E346 E347	I277-L343 HydrophobicContact CG2-CB 4.31Å; I277-L343 HydrophobicContact CG2-CD2 4.27Å; Q280-L343 HydrophobicContact CB-CD1 3.94Å; Q280-L343 HydrophobicContact CB-CD2 4.26Å; R281-L343 HydrophobicContact CB-CD1 4.13Å; I284-L343 HydrophobicContact CD1-CD1 3.65Å; R339-L343 WeakPolarHBondContact O-CG 3.43Å; R339-L343 PolarHBondContact O-N 3.2Å; L340-L343 PolarHBondContact O-N 3.2Å; L343-K345 VanDerWaalsContact C-N 3.29Å; L343-K345 PolarHBondContact O-N 3.1Å; L343-E346 PolarHBondContact O-N 3.24Å; L343-E347 WeakPolarHBondContact O-CB 3.47Å; L343-E347 PolarHBondContact O-N 3.11Å
344	K	95.4	Very high	94.4	Very high	150 Å²	150	77.2 Å²	77.2	65%	0.652	38%	0.383	S	S	*	.	H	α-helix	trans	-64.2	-34.1	175.6	-174.1	176.9	-178.4	177.8	0	112.5	L340 G341 Y342 A348	L340-K344 WeakPolarHBondContact O-CB 3.44Å; L340-K344 PolarHBondContact O-N 3.4Å; G341-K344 PolarHBondContact O-N 3.06Å; Y342-K344 VanDerWaalsContact C-N 3.27Å; Y342-K344 PolarHBondContact O-N 3.37Å; K344-A348 PolarHBondContact O-N 3.33Å
345	K	95.3	Very high	94.3	Very high	131 Å²	131	76.4 Å²	76.4	57%	0.57	38%	0.379	S	S	*	.	H	α-helix	trans	-69.7	-46.1	174.9	-173.8	-174.4	172.9	-164.3	0	110.8	G341 Y342 L343 E347 A348 E349	G341-K345 PolarHBondContact O-N 3.28Å; Y342-K345 WeakPolarHBondContact O-CB 3.26Å; Y342-K345 PolarHBondContact O-N 2.93Å; L343-K345 VanDerWaalsContact C-N 3.29Å; L343-K345 PolarHBondContact O-N 3.1Å; K345-E347 PolarHBondContact O-N 3.17Å; K345-A348 WeakPolarHBondContact O-CB 3.19Å; K345-A348 PolarHBondContact O-N 3.08Å; K345-E349 VanDerWaalsContact CE-OE1 3.23Å; K345-E349 WeakPolarHBondContact CE-OE1 3.48Å; K345-E349 IonicContact NZ-OE1 3.95Å; K345-E349 WeakPolarHBondContact O-CG 3.45Å; K345-E349 PolarHBondContact O-N 3.31Å
346	E	94.8	Very high	94.2	Very high	52 Å²	52	77.3 Å²	77.3	24%	0.243	38%	0.378	C	S	.	.	H	α-helix	trans	-62	-40.7	175.7	-71.6	-172.4	141.6	0	0	112.1	I277 Y342 L343 A348 E349 I350	I277-E346 HydrophobicContact CD1-CB 3.51Å; Y342-E346 HydrophobicContact CD1-CG 4.34Å; Y342-E346 HydrophobicContact CE1-CG 3.78Å; Y342-E346 WeakPolarHBondContact CE1-OE1 2.99Å; Y342-E346 VanDerWaalsContact CE1-OE2 3.26Å; Y342-E346 WeakPolarHBondContact CE1-OE2 3.39Å; Y342-E346 VanDerWaalsContact CZ-OE1 3.25Å; Y342-E346 PolarHBondContact O-N 3.28Å; Y342-E346 PolarHBondContact OH-OE1 3.26Å; L343-E346 PolarHBondContact O-N 3.24Å; E346-A348 VanDerWaalsContact C-N 3.3Å; E346-A348 PolarHBondContact O-N 2.92Å; E346-E349 PolarHBondContact O-N 3.33Å; E346-E349 VanDerWaalsContact O-N 3.13Å; E346-I350 WeakPolarHBondContact O-CG1 3.49Å; E346-I350 PolarHBondContact O-N 2.89Å
347	E	94.3	Very high	94.1	Very high	57 Å²	57	76.6 Å²	76.6	27%	0.266	38%	0.376	S	S	.	.	H	α-helix	trans	-58.1	-41.9	173.7	-177.3	171.7	-155.5	0	0	111.4	I277 R281 L343 K345 I350 Q351	I277-E347 HydrophobicContact CG2-CB 4.38Å; R281-E347 IonicContact NH1-OE1 2.75Å; R281-E347 PolarHBondContact NH1-OE1 3.25Å; R281-E347 IonicContact NH1-OE2 3.35Å; R281-E347 PolarHBondContact NH1-OE2 3.1Å; L343-E347 WeakPolarHBondContact O-CB 3.47Å; L343-E347 PolarHBondContact O-N 3.11Å; K345-E347 PolarHBondContact O-N 3.17Å; E347-I350 PolarHBondContact O-N 2.98Å; E347-Q351 WeakPolarHBondContact O-CB 3.48Å; E347-Q351 PolarHBondContact O-N 3.18Å
348	A	94.4	Very high	94	Very high	61 Å²	61	73.2 Å²	73.2	50%	0.504	36%	0.362	S	S	.	.	H	α-helix	trans	-66.9	-35.8	175.6	0	0	0	0	0	112.9	K344 K345 E346 A352	K344-A348 PolarHBondContact O-N 3.33Å; K345-A348 WeakPolarHBondContact O-CB 3.19Å; K345-A348 PolarHBondContact O-N 3.08Å; E346-A348 VanDerWaalsContact C-N 3.3Å; E346-A348 PolarHBondContact O-N 2.92Å; A348-A352 WeakPolarHBondContact O-CB 3.47Å; A348-A352 PolarHBondContact O-N 3.07Å
349	E	94.8	Very high	93.8	Very high	109 Å²	109	71.2 Å²	71.2	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-68.2	-44.2	175.8	-71.6	174.2	-169.7	0	0	111.7	K345 E346 Q351 A352 E353	K345-E349 VanDerWaalsContact CE-OE1 3.23Å; K345-E349 WeakPolarHBondContact CE-OE1 3.48Å; K345-E349 IonicContact NZ-OE1 3.95Å; K345-E349 WeakPolarHBondContact O-CG 3.45Å; K345-E349 PolarHBondContact O-N 3.31Å; E346-E349 PolarHBondContact O-N 3.33Å; E346-E349 VanDerWaalsContact O-N 3.13Å; E349-Q351 VanDerWaalsContact C-N 3.35Å; E349-Q351 PolarHBondContact O-N 3.01Å; E349-A352 PolarHBondContact O-N 3.06Å; E349-E353 WeakPolarHBondContact O-CB 3.48Å; E349-E353 PolarHBondContact O-N 2.72Å
350	I	94.6	Very high	93.7	Very high	17 Å²	17	66.8 Å²	66.8	9%	0.087	33%	0.334	C	S	.	.	H	α-helix	trans	-60.4	-45.9	173.9	-69	-179.8	0	0	0	110.4	L270 Q273 Q274 I277 E346 E347 A352 E353 L354	L270-I350 HydrophobicContact CB-CG2 4.5Å; L270-I350 HydrophobicContact CD2-CG2 4.45Å; Q273-I350 HydrophobicContact CB-CD1 3.62Å; Q274-I350 HydrophobicContact CB-CG2 4.38Å; I277-I350 HydrophobicContact CD1-CD1 3.43Å; I277-I350 VanDerWaalsContact CD1-CD1 3.43Å; I277-I350 HydrophobicContact CD1-CG1 4.42Å; I277-I350 HydrophobicContact CG1-CD1 4.38Å; E346-I350 WeakPolarHBondContact O-CG1 3.49Å; E346-I350 PolarHBondContact O-N 2.89Å; E347-I350 PolarHBondContact O-N 2.98Å; I350-A352 VanDerWaalsContact C-N 3.33Å; I350-A352 PolarHBondContact O-N 3.27Å; I350-E353 PolarHBondContact O-N 2.85Å; I350-L354 WeakPolarHBondContact O-CB 3.39Å; I350-L354 PolarHBondContact O-N 3.14Å
351	Q	93.9	Very high	93.7	Very high	87 Å²	87	66.4 Å²	66.4	41%	0.407	33%	0.329	S	S	.	.	H	α-helix	trans	-61.8	-41.8	179.3	-173.9	59.1	43.5	0	0	111.7	E347 E349 E353 L354 E355	E347-Q351 WeakPolarHBondContact O-CB 3.48Å; E347-Q351 PolarHBondContact O-N 3.18Å; E349-Q351 VanDerWaalsContact C-N 3.35Å; E349-Q351 PolarHBondContact O-N 3.01Å; Q351-E353 VanDerWaalsContact C-N 3.34Å; Q351-E353 PolarHBondContact O-N 2.71Å; Q351-L354 PolarHBondContact O-N 3.39Å; Q351-E355 WeakPolarHBondContact O-CG 3.45Å; Q351-E355 PolarHBondContact O-N 2.98Å
352	A	92.3	Very high	93.5	Very high	57 Å²	57	67.8 Å²	67.8	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-64	-39.2	176.1	0	0	0	0	0	112.3	A348 E349 I350 R356	A348-A352 WeakPolarHBondContact O-CB 3.47Å; A348-A352 PolarHBondContact O-N 3.07Å; E349-A352 PolarHBondContact O-N 3.06Å; I350-A352 VanDerWaalsContact C-N 3.33Å; I350-A352 PolarHBondContact O-N 3.27Å; A352-R356 PolarHBondContact O-N 2.75Å
353	E	93.8	Very high	93.3	Very high	65 Å²	65	62.7 Å²	62.7	30%	0.304	31%	0.308	S	S	.	.	H	α-helix	trans	-70.7	-37	176.9	-176.8	54.2	-156.2	0	0	112.1	L270 E349 I350 Q351 R356 L357	L270-E353 HydrophobicContact CD1-CB 4.34Å; L270-E353 HydrophobicContact CD1-CG 3.92Å; L270-E353 HydrophobicContact CD2-CB 4.43Å; L270-E353 HydrophobicContact CD2-CG 4Å; E349-E353 WeakPolarHBondContact O-CB 3.48Å; E349-E353 PolarHBondContact O-N 2.72Å; I350-E353 PolarHBondContact O-N 2.85Å; Q351-E353 VanDerWaalsContact C-N 3.34Å; Q351-E353 PolarHBondContact O-N 2.71Å; E353-R356 VanDerWaalsContact CD-NE 3.28Å; E353-R356 WeakPolarHBondContact O-CB 3.2Å; E353-R356 PolarHBondContact O-N 3.07Å; E353-R356 VanDerWaalsContact O-N 3.17Å; E353-R356 IonicContact OE1-CZ 3.21Å; E353-R356 IonicContact OE1-NE 2.67Å; E353-R356 PolarHBondContact OE1-NE 2.74Å; E353-R356 IonicContact OE1-NH2 3.19Å; E353-R356 PolarHBondContact OE1-NH2 2.8Å; E353-R356 WeakPolarHBondContact OE2-CD 3.48Å; E353-R356 IonicContact OE2-CZ 2.87Å; E353-R356 IonicContact OE2-NE 3.91Å; E353-R356 PolarHBondContact OE2-NE 2.93Å; E353-R356 IonicContact OE2-NH2 3.87Å; E353-L357 PolarHBondContact O-N 2.9Å
354	L	93.8	Very high	93.2	Very high	50 Å²	50	62.6 Å²	62.6	26%	0.262	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-47.9	173	-169.9	81.1	0	0	0	110.9	F267 L270 I350 Q351 R356 L357 E358	F267-L354 HydrophobicContact CD1-CD1 3.96Å; F267-L354 HydrophobicContact CE1-CD1 4.28Å; L270-L354 HydrophobicContact CD1-CB 4.22Å; L270-L354 HydrophobicContact CD1-CD1 4.1Å; I350-L354 WeakPolarHBondContact O-CB 3.39Å; I350-L354 PolarHBondContact O-N 3.14Å; Q351-L354 PolarHBondContact O-N 3.39Å; L354-R356 PolarHBondContact O-N 3.11Å; L354-L357 PolarHBondContact O-N 2.84Å; L354-E358 WeakPolarHBondContact O-CB 3.42Å; L354-E358 PolarHBondContact O-N 3.27Å
355	E	91.8	Very high	93.1	Very high	70 Å²	70	56.8 Å²	56.8	33%	0.327	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-33.8	174.9	-73.9	-173.5	-168.1	0	0	112.2	Q351 R359 K487	Q351-E355 WeakPolarHBondContact O-CG 3.45Å; Q351-E355 PolarHBondContact O-N 2.98Å; E355-R359 WeakPolarHBondContact O-CG 3.38Å; E355-R359 PolarHBondContact O-N 3.36Å; E355-R359 PolarHBondContact O-NE 2.67Å; E355-K487 IonicContact OE1-NZ 2.8Å; E355-K487 IonicContact OE2-NZ 3.84Å; E355-K487 PolarHBondContact OE2-NZ 3.43Å
356	R	91.6	Very high	92.8	Very high	83 Å²	83	54.2 Å²	54.2	31%	0.313	27%	0.27	S	S	.	.	H	α-helix	trans	-69.2	-47	174.9	-166.8	-165.2	70.1	74.7	-1.1	111.1	A352 E353 L354 E358 R359 V360	A352-R356 PolarHBondContact O-N 2.75Å; E353-R356 VanDerWaalsContact CD-NE 3.28Å; E353-R356 WeakPolarHBondContact O-CB 3.2Å; E353-R356 PolarHBondContact O-N 3.07Å; E353-R356 VanDerWaalsContact O-N 3.17Å; E353-R356 IonicContact OE1-CZ 3.21Å; E353-R356 IonicContact OE1-NE 2.67Å; E353-R356 PolarHBondContact OE1-NE 2.74Å; E353-R356 IonicContact OE1-NH2 3.19Å; E353-R356 PolarHBondContact OE1-NH2 2.8Å; E353-R356 WeakPolarHBondContact OE2-CD 3.48Å; E353-R356 IonicContact OE2-CZ 2.87Å; E353-R356 IonicContact OE2-NE 3.91Å; E353-R356 PolarHBondContact OE2-NE 2.93Å; E353-R356 IonicContact OE2-NH2 3.87Å; L354-R356 PolarHBondContact O-N 3.11Å; R356-E358 VanDerWaalsContact C-N 3.33Å; R356-E358 PolarHBondContact O-N 3.26Å; R356-R359 PolarHBondContact O-N 3.19Å; R356-V360 WeakPolarHBondContact O-CG2 3.18Å; R356-V360 PolarHBondContact O-N 2.94Å
357	L	93.1	Very high	92.7	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-39.5	177	-75.8	-174.4	0	0	0	111.9	L245 A266 F267 L270 E353 L354 R359 V360 R361	L245-L357 HydrophobicContact CD2-CD2 4.22Å; A266-L357 HydrophobicContact CB-CD1 3.73Å; A266-L357 HydrophobicContact CB-CD2 4.25Å; F267-L357 HydrophobicContact CE1-CB 3.88Å; F267-L357 HydrophobicContact CE2-CB 4.06Å; F267-L357 HydrophobicContact CZ-CB 3.61Å; L270-L357 HydrophobicContact CD1-CD1 3.48Å; L270-L357 VanDerWaalsContact CD1-CD1 3.48Å; L270-L357 HydrophobicContact CD1-CG 4.34Å; L270-L357 HydrophobicContact CG-CD1 4.27Å; E353-L357 PolarHBondContact O-N 2.9Å; L354-L357 PolarHBondContact O-N 2.84Å; L357-R359 VanDerWaalsContact C-N 3.3Å; L357-R359 PolarHBondContact O-N 2.9Å; L357-V360 PolarHBondContact O-N 2.74Å; L357-R361 WeakPolarHBondContact O-CB 3.39Å; L357-R361 PolarHBondContact O-N 2.85Å
358	E	92.1	Very high	92.6	Very high	58 Å²	58	53.8 Å²	53.8	27%	0.271	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-40	176.9	-179.5	162.8	-141.2	0	0	112	L354 R356 R361 N362	L354-E358 WeakPolarHBondContact O-CB 3.42Å; L354-E358 PolarHBondContact O-N 3.27Å; R356-E358 VanDerWaalsContact C-N 3.33Å; R356-E358 PolarHBondContact O-N 3.26Å; E358-R361 WeakPolarHBondContact O-CB 3.44Å; E358-R361 PolarHBondContact O-N 3.17Å; E358-R361 IonicContact OE1-NH2 2.64Å; E358-R361 PolarHBondContact OE1-NH2 3.29Å; E358-N362 WeakPolarHBondContact O-CB 3.37Å; E358-N362 PolarHBondContact O-N 3.27Å; E358-N362 PolarHBondContact O-ND2 2.96Å
359	R	90.5	Very high	92.6	Very high	72 Å²	72	55.6 Å²	55.6	27%	0.272	27%	0.266	S	S	.	.	H	α-helix	trans	-61.2	-48.2	172.7	-73.7	180	-74.6	147.8	-10.9	112	E355 R356 L357 R361 N362 L363 K484 Q485	E355-R359 WeakPolarHBondContact O-CG 3.38Å; E355-R359 PolarHBondContact O-N 3.36Å; E355-R359 PolarHBondContact O-NE 2.67Å; R356-R359 PolarHBondContact O-N 3.19Å; L357-R359 VanDerWaalsContact C-N 3.3Å; L357-R359 PolarHBondContact O-N 2.9Å; R359-R361 VanDerWaalsContact C-N 3.32Å; R359-R361 PolarHBondContact O-N 2.76Å; R359-N362 PolarHBondContact O-N 3.03Å; R359-L363 WeakPolarHBondContact O-CG 3.44Å; R359-L363 PolarHBondContact O-N 3.47Å; R359-L363 VanDerWaalsContact O-N 3.1Å; R359-K484 WeakPolarHBondContact CD-O 3.48Å; R359-K484 WeakPolarHBondContact CG-O 3.5Å; R359-Q485 PolarHBondContact NH1-O 2.86Å
360	V	92.6	Very high	92.5	Very high	42 Å²	42	52 Å²	52	26%	0.255	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-39.6	179.2	-177.1	0	0	0	0	110.9	L245 R356 L357 L363 H364	L245-V360 HydrophobicContact CD1-CG1 3.73Å; L245-V360 HydrophobicContact CD2-CG1 4.21Å; R356-V360 WeakPolarHBondContact O-CG2 3.18Å; R356-V360 PolarHBondContact O-N 2.94Å; L357-V360 PolarHBondContact O-N 2.74Å; V360-L363 PolarHBondContact O-N 3.14Å; V360-H364 WeakPolarHBondContact O-CB 3.35Å; V360-H364 PolarHBondContact O-N 2.82Å
361	R	93.7	Very high	92.5	Very high	42 Å²	42	52 Å²	52	16%	0.158	25%	0.247	C	C	.	.	H	α-helix	trans	-58.3	-47	173	178.1	-177.4	67.6	-175.9	1.6	111.5	W261 D263 F267 L357 E358 R359 L363 H364 I365	W261-R361 HydrophobicContact CH2-CG 4.31Å; W261-R361 HydrophobicContact CZ2-CG 3.62Å; D263-R361 IonicContact OD1-NH1 3.68Å; D263-R361 PolarHBondContact OD1-NH1 3.04Å; F267-R361 HydrophobicContact CE2-CB 4.04Å; F267-R361 HydrophobicContact CE2-CG 4.42Å; F267-R361 HydrophobicContact CZ-CB 3.91Å; F267-R361 HydrophobicContact CZ-CG 4.44Å; L357-R361 WeakPolarHBondContact O-CB 3.39Å; L357-R361 PolarHBondContact O-N 2.85Å; E358-R361 WeakPolarHBondContact O-CB 3.44Å; E358-R361 PolarHBondContact O-N 3.17Å; E358-R361 IonicContact OE1-NH2 2.64Å; E358-R361 PolarHBondContact OE1-NH2 3.29Å; R359-R361 VanDerWaalsContact C-N 3.32Å; R359-R361 PolarHBondContact O-N 2.76Å; R361-L363 VanDerWaalsContact C-N 3.31Å; R361-L363 PolarHBondContact O-N 3.31Å; R361-H364 WeakPolarHBondContact O-CB 3.47Å; R361-H364 PolarHBondContact O-N 3.04Å; R361-H364 VanDerWaalsContact O-N 3.14Å; R361-I365 HydrophobicContact CG-CD1 3.85Å; R361-I365 HydrophobicContact CG-CG1 4.41Å; R361-I365 WeakPolarHBondContact O-CG1 3.39Å; R361-I365 PolarHBondContact O-N 3.14Å
362	N	91.4	Very high	92.5	Very high	72 Å²	72	53.1 Å²	53.1	39%	0.385	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-37.7	179.9	-71.2	-22.1	0	0	0	112.3	E358 R359 R366	E358-N362 WeakPolarHBondContact O-CB 3.37Å; E358-N362 PolarHBondContact O-N 3.27Å; E358-N362 PolarHBondContact O-ND2 2.96Å; R359-N362 PolarHBondContact O-N 3.03Å; N362-R366 WeakPolarHBondContact O-CB 3.35Å; N362-R366 PolarHBondContact O-N 3.46Å
363	L	90.8	Very high	92.6	Very high	29 Å²	29	52.1 Å²	52.1	15%	0.152	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-41.8	172.7	-64.7	177.1	0	0	0	111.7	R359 V360 R361 R366 E367 F481 K484 Q485	R359-L363 WeakPolarHBondContact O-CG 3.44Å; R359-L363 PolarHBondContact O-N 3.47Å; R359-L363 VanDerWaalsContact O-N 3.1Å; V360-L363 PolarHBondContact O-N 3.14Å; R361-L363 VanDerWaalsContact C-N 3.31Å; R361-L363 PolarHBondContact O-N 3.31Å; L363-R366 WeakPolarHBondContact O-CB 3.37Å; L363-R366 PolarHBondContact O-N 3Å; L363-E367 PolarHBondContact O-N 2.88Å; L363-F481 HydrophobicContact CD1-CZ 4.43Å; L363-F481 HydrophobicContact CD2-CD2 4.09Å; L363-F481 HydrophobicContact CD2-CE1 4.13Å; L363-F481 HydrophobicContact CD2-CE2 3.67Å; L363-F481 HydrophobicContact CD2-CG 4.48Å; L363-F481 HydrophobicContact CD2-CZ 3.69Å; L363-K484 HydrophobicContact CD2-CB 4.35Å; L363-Q485 HydrophobicContact CD1-CB 3.98Å; L363-Q485 HydrophobicContact CD1-CG 4.04Å
364	H	92.9	Very high	92.6	Very high	7 Å²	7	49.1 Å²	49.1	3%	0.032	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-45	175.9	178.2	52.7	0	0	0	112.1	S238 L245 W261 V360 R361 R366 E367 L368	S238-H364 PolarHBondContact O-CE1 2.83Å; S238-H364 VanDerWaalsContact O-CE1 3.25Å; L245-H364 HydrophobicContact CD1-CB 3.7Å; W261-H364 AromaticContact CH2-CD2 3.94Å; V360-H364 WeakPolarHBondContact O-CB 3.35Å; V360-H364 PolarHBondContact O-N 2.82Å; R361-H364 WeakPolarHBondContact O-CB 3.47Å; R361-H364 PolarHBondContact O-N 3.04Å; R361-H364 VanDerWaalsContact O-N 3.14Å; H364-R366 VanDerWaalsContact C-N 3.31Å; H364-R366 PolarHBondContact O-N 3.45Å; H364-E367 PolarHBondContact O-N 3.25Å; H364-E367 VanDerWaalsContact O-N 3.14Å; H364-L368 WeakPolarHBondContact O-CG 3.46Å; H364-L368 PolarHBondContact O-N 3.4Å
365	I	92.3	Very high	92.6	Very high	27 Å²	27	49.9 Å²	49.9	14%	0.138	23%	0.229	C	C	.	.	H	α-helix	trans	-58.5	-43.9	174.5	-70.6	167.5	0	0	0	111	F248 W261 R361 E367 L368 K369	F248-I365 HydrophobicContact CE2-CG1 4.27Å; F248-I365 HydrophobicContact CE2-CG2 4.13Å; F248-I365 HydrophobicContact CZ-CG1 4.37Å; F248-I365 HydrophobicContact CZ-CG2 4.09Å; W261-I365 HydrophobicContact CD2-CD1 4.22Å; W261-I365 HydrophobicContact CE3-CD1 3.91Å; W261-I365 HydrophobicContact CE3-CG1 3.9Å; W261-I365 HydrophobicContact CH2-CD1 4.13Å; W261-I365 HydrophobicContact CH2-CG1 3.64Å; W261-I365 HydrophobicContact CZ2-CD1 4.43Å; W261-I365 HydrophobicContact CZ2-CG1 4.37Å; W261-I365 HydrophobicContact CZ3-CD1 3.87Å; W261-I365 HydrophobicContact CZ3-CG1 3.37Å; R361-I365 HydrophobicContact CG-CD1 3.85Å; R361-I365 HydrophobicContact CG-CG1 4.41Å; R361-I365 WeakPolarHBondContact O-CG1 3.39Å; R361-I365 PolarHBondContact O-N 3.14Å; I365-E367 VanDerWaalsContact C-N 3.31Å; I365-E367 PolarHBondContact O-N 2.88Å; I365-L368 PolarHBondContact O-N 2.97Å; I365-K369 HydrophobicContact CG2-CD 4.47Å; I365-K369 WeakPolarHBondContact O-CG 3.27Å; I365-K369 PolarHBondContact O-N 3.15Å
366	R	90.2	Very high	92.7	Very high	78 Å²	78	51.4 Å²	51.4	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-42.5	176.3	175.6	-178.9	-81.3	-174.2	-19.7	111.2	N362 L363 H364 K369 R370 D480	N362-R366 WeakPolarHBondContact O-CB 3.35Å; N362-R366 PolarHBondContact O-N 3.46Å; L363-R366 WeakPolarHBondContact O-CB 3.37Å; L363-R366 PolarHBondContact O-N 3Å; H364-R366 VanDerWaalsContact C-N 3.31Å; H364-R366 PolarHBondContact O-N 3.45Å; R366-K369 PolarHBondContact O-N 3.36Å; R366-R370 PolarHBondContact O-N 3.23Å; R366-D480 IonicContact CZ-OD2 3.62Å; R366-D480 IonicContact NH1-OD2 2.82Å; R366-D480 IonicContact NH2-OD2 3.66Å; R366-D480 PolarHBondContact NH2-OD2 3.47Å
367	E	92	Very high	92.8	Very high	49 Å²	49	47.7 Å²	47.7	23%	0.229	23%	0.227	C	C	.	.	H	α-helix	trans	-67.1	-42	178.3	-173.8	52.2	-146.6	0	0	112.4	C234 L363 H364 I365 K369 R370 I371	C234-E367 PolarHBondContact SG-OE1 3.15Å; L363-E367 PolarHBondContact O-N 2.88Å; H364-E367 PolarHBondContact O-N 3.25Å; H364-E367 VanDerWaalsContact O-N 3.14Å; I365-E367 VanDerWaalsContact C-N 3.31Å; I365-E367 PolarHBondContact O-N 2.88Å; E367-K369 VanDerWaalsContact C-N 3.28Å; E367-K369 PolarHBondContact O-N 3.45Å; E367-R370 WeakPolarHBondContact O-CB 3.23Å; E367-R370 PolarHBondContact O-N 2.94Å; E367-R370 IonicContact OE1-CZ 2.93Å; E367-R370 IonicContact OE1-NE 2.94Å; E367-R370 PolarHBondContact OE1-NE 2.99Å; E367-R370 IonicContact OE1-NH2 3.67Å; E367-R370 PolarHBondContact OE1-NH2 3.23Å; E367-R370 IonicContact OE2-NE 3.55Å; E367-R370 PolarHBondContact OE2-NE 2.79Å; E367-I371 HydrophobicContact CG-CD1 4.19Å; E367-I371 WeakPolarHBondContact O-CG1 3.37Å; E367-I371 PolarHBondContact O-N 3.03Å
368	L	93.1	Very high	92.8	Very high	51 Å²	51	54 Å²	54	27%	0.267	26%	0.256	S	S	.	.	H	α-helix	trans	-56.8	-43	172.8	-71.1	176	0	0	0	111.6	W261 H364 I365 I371 H372	W261-L368 HydrophobicContact CZ3-CD1 4.39Å; H364-L368 WeakPolarHBondContact O-CG 3.46Å; H364-L368 PolarHBondContact O-N 3.4Å; I365-L368 PolarHBondContact O-N 2.97Å; L368-I371 PolarHBondContact O-N 3.45Å; L368-H372 WeakPolarHBondContact O-CB 3.15Å; L368-H372 PolarHBondContact O-N 2.99Å
369	K	92.6	Very high	92.9	Very high	98 Å²	98	52.2 Å²	52.2	43%	0.426	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-39.8	174.9	-71.7	179.8	179.9	-171.6	0	112.1	I365 R366 E367 N373	I365-K369 HydrophobicContact CG2-CD 4.47Å; I365-K369 WeakPolarHBondContact O-CG 3.27Å; I365-K369 PolarHBondContact O-N 3.15Å; R366-K369 PolarHBondContact O-N 3.36Å; E367-K369 VanDerWaalsContact C-N 3.28Å; E367-K369 PolarHBondContact O-N 3.45Å; K369-N373 WeakPolarHBondContact O-CB 3.48Å; K369-N373 VanDerWaalsContact O-CG 3.24Å; K369-N373 PolarHBondContact O-N 3.11Å; K369-N373 PolarHBondContact O-ND2 2.98Å
370	R	93.7	Very high	92.9	Very high	35 Å²	35	53 Å²	53	13%	0.132	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-47.2	176.4	-168.4	-156.9	66.6	69.1	9.6	111.1	R366 E367 N373 E374 L394	R366-R370 PolarHBondContact O-N 3.23Å; E367-R370 WeakPolarHBondContact O-CB 3.23Å; E367-R370 PolarHBondContact O-N 2.94Å; E367-R370 IonicContact OE1-CZ 2.93Å; E367-R370 IonicContact OE1-NE 2.94Å; E367-R370 PolarHBondContact OE1-NE 2.99Å; E367-R370 IonicContact OE1-NH2 3.67Å; E367-R370 PolarHBondContact OE1-NH2 3.23Å; E367-R370 IonicContact OE2-NE 3.55Å; E367-R370 PolarHBondContact OE2-NE 2.79Å; R370-N373 PolarHBondContact O-N 3.04Å; R370-E374 IonicContact CZ-OE2 3.61Å; R370-E374 IonicContact NH1-OE1 2.67Å; R370-E374 IonicContact NH1-OE2 2.8Å; R370-E374 PolarHBondContact NH1-OE2 3.29Å; R370-E374 IonicContact NH2-OE2 2.74Å; R370-E374 WeakPolarHBondContact O-CB 3.25Å; R370-E374 PolarHBondContact O-N 2.95Å; R370-L394 WeakPolarHBondContact CD-O 3.42Å; R370-L394 HydrophobicContact CG-CD2 4.48Å; R370-L394 PolarHBondContact NH1-O 2.97Å
371	I	93.9	Very high	93.1	Very high	15 Å²	15	57.2 Å²	57.2	8%	0.077	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-48.1	176.9	-66.9	168.7	0	0	0	110.5	R235 S238 E367 L368 N373 E374 D375	R235-I371 HydrophobicContact CG-CD1 4.39Å; S238-I371 WeakPolarHBondContact OG-CD1 3.46Å; E367-I371 HydrophobicContact CG-CD1 4.19Å; E367-I371 WeakPolarHBondContact O-CG1 3.37Å; E367-I371 PolarHBondContact O-N 3.03Å; L368-I371 PolarHBondContact O-N 3.45Å; I371-N373 VanDerWaalsContact C-N 3.33Å; I371-N373 PolarHBondContact O-N 3.44Å; I371-E374 WeakPolarHBondContact O-CB 3.49Å; I371-E374 PolarHBondContact O-N 2.95Å; I371-E374 VanDerWaalsContact O-N 3.14Å; I371-D375 PolarHBondContact O-N 2.9Å
372	H	93.5	Very high	93.1	Very high	112 Å²	112	55.9 Å²	55.9	52%	0.519	27%	0.27	S	S	.	.	H	α-helix	trans	-59.1	-43.4	177.5	178.7	81	0	0	0	112.4	L368 E374 D375 N376	L368-H372 WeakPolarHBondContact O-CB 3.15Å; L368-H372 PolarHBondContact O-N 2.99Å; H372-E374 VanDerWaalsContact C-N 3.35Å; H372-D375 PolarHBondContact O-N 3.02Å; H372-N376 PolarHBondContact CE1-ND2 3.1Å; H372-N376 PolarHBondContact NE2-ND2 3.02Å; H372-N376 WeakPolarHBondContact O-CB 3.44Å; H372-N376 PolarHBondContact O-N 2.78Å; H372-N376 VanDerWaalsContact O-N 3.15Å; H372-N376 PolarHBondContact O-ND2 3.45Å
373	N	94.4	Very high	93.4	Very high	36 Å²	36	54.4 Å²	54.4	19%	0.193	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-38.9	175.2	-76.8	-37.6	0	0	0	112.3	K369 R370 I371 N376 S377 L394 R397	K369-N373 WeakPolarHBondContact O-CB 3.48Å; K369-N373 VanDerWaalsContact O-CG 3.24Å; K369-N373 PolarHBondContact O-N 3.11Å; K369-N373 PolarHBondContact O-ND2 2.98Å; R370-N373 PolarHBondContact O-N 3.04Å; I371-N373 VanDerWaalsContact C-N 3.33Å; I371-N373 PolarHBondContact O-N 3.44Å; N373-N376 PolarHBondContact O-N 3.22Å; N373-S377 WeakPolarHBondContact O-CB 3.36Å; N373-S377 PolarHBondContact O-N 2.81Å; N373-L394 HydrophobicContact CB-CD2 3.67Å; N373-R397 HydrophobicContact CB-CB 4.33Å; N373-R397 VanDerWaalsContact CG-CD 3.48Å; N373-R397 WeakPolarHBondContact OD1-CD 3.38Å; N373-R397 PolarHBondContact OD1-NH1 3.47Å
374	E	94.6	Very high	93.7	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-43.1	176.4	-178.5	167.1	-133.9	0	0	111.7	K231 R370 I371 H372 N376 S377 K380 H393 L394	K231-E374 WeakPolarHBondContact CE-OE1 3.23Å; K231-E374 IonicContact NZ-OE1 3.27Å; K231-E374 PolarHBondContact NZ-OE1 3.24Å; K231-E374 VanDerWaalsContact NZ-OE1 3.07Å; R370-E374 IonicContact CZ-OE2 3.61Å; R370-E374 IonicContact NH1-OE1 2.67Å; R370-E374 IonicContact NH1-OE2 2.8Å; R370-E374 PolarHBondContact NH1-OE2 3.29Å; R370-E374 IonicContact NH2-OE2 2.74Å; R370-E374 WeakPolarHBondContact O-CB 3.25Å; R370-E374 PolarHBondContact O-N 2.95Å; I371-E374 WeakPolarHBondContact O-CB 3.49Å; I371-E374 PolarHBondContact O-N 2.95Å; I371-E374 VanDerWaalsContact O-N 3.14Å; H372-E374 VanDerWaalsContact C-N 3.35Å; E374-N376 VanDerWaalsContact C-N 3.28Å; E374-N376 PolarHBondContact O-N 3.13Å; E374-S377 PolarHBondContact O-N 3.21Å; E374-K380 VanDerWaalsContact O-CB 3.29Å; E374-K380 WeakPolarHBondContact O-CB 3.46Å; E374-H393 WeakPolarHBondContact OE1-CA 3.5Å; E374-H393 VanDerWaalsContact OE1-CB 3.25Å; E374-H393 WeakPolarHBondContact OE1-CB 3.45Å; E374-L394 HydrophobicContact CB-CB 3.85Å; E374-L394 HydrophobicContact CB-CD2 4.03Å; E374-L394 HydrophobicContact CG-CB 4.01Å; E374-L394 PolarHBondContact OE1-N 2.88Å
375	D	93.8	Very high	93.9	Very high	66 Å²	66	55.6 Å²	55.6	35%	0.353	27%	0.272	S	S	.	.	H	α-helix	trans	-67.6	-29.8	-179.7	-72.4	-25.4	0	0	0	113.1	R235 I371 H372 K380	R235-D375 IonicContact CZ-OD1 3.91Å; R235-D375 IonicContact NH2-OD1 3.59Å; R235-D375 PolarHBondContact NH2-OD1 3.02Å; R235-D375 IonicContact NH2-OD2 2.7Å; R235-D375 PolarHBondContact NH2-OD2 3.38Å; I371-D375 PolarHBondContact O-N 2.9Å; H372-D375 PolarHBondContact O-N 3.02Å; D375-K380 VanDerWaalsContact O-CD 3.26Å; D375-K380 WeakPolarHBondContact O-CD 3.2Å; D375-K380 PolarHBondContact O-NZ 3.45Å
376	N	93.8	Very high	94.1	Very high	103 Å²	103	58.5 Å²	58.5	55%	0.551	29%	0.288	S	S	*	.	H	α-helix	trans	-91	-8	178.6	-71.1	-19.9	0	0	0	114	H372 N373 E374	H372-N376 PolarHBondContact CE1-ND2 3.1Å; H372-N376 PolarHBondContact NE2-ND2 3.02Å; H372-N376 WeakPolarHBondContact O-CB 3.44Å; H372-N376 PolarHBondContact O-N 2.78Å; H372-N376 VanDerWaalsContact O-N 3.15Å; H372-N376 PolarHBondContact O-ND2 3.45Å; N373-N376 PolarHBondContact O-N 3.22Å; E374-N376 VanDerWaalsContact C-N 3.28Å; E374-N376 PolarHBondContact O-N 3.13Å
377	S	93.6	Very high	94.3	Very high	5 Å²	5	62 Å²	62	4%	0.035	31%	0.313	C	S	.	.	S	Bend	trans	-77.4	144.1	178	177.6	0	0	0	0	111.4	N373 E374 F379 K380 E402 Y404	N373-S377 WeakPolarHBondContact O-CB 3.36Å; N373-S377 PolarHBondContact O-N 2.81Å; E374-S377 PolarHBondContact O-N 3.21Å; S377-F379 PolarHBondContact O-N 2.79Å; S377-F379 PolarHBondContact OG-N 3.02Å; S377-F379 VanDerWaalsContact OG-N 3.13Å; S377-K380 PolarHBondContact O-N 3.46Å; S377-E402 WeakPolarHBondContact CB-OE2 3.41Å; S377-E402 PolarHBondContact OG-OE2 3.15Å; S377-Y404 WeakPolarHBondContact CB-OH 3.37Å; S377-Y404 PolarHBondContact OG-OH 2.69Å
378	Q	92.8	Very high	94.5	Very high	137 Å²	137	62.4 Å²	62.4	64%	0.64	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.1	171.2	65.1	-176.8	-15.7	0	0	113.3
379	F	93.9	Very high	94.8	Very high	20 Å²	20	60 Å²	60	9%	0.088	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	14.2	-176.1	-56.6	-68.7	0	0	0	114	S377 D381 P383 L385 L391 Y404 I419 L462	S377-F379 PolarHBondContact O-N 2.79Å; S377-F379 PolarHBondContact OG-N 3.02Å; S377-F379 VanDerWaalsContact OG-N 3.13Å; F379-D381 VanDerWaalsContact C-N 3.32Å; F379-D381 PolarHBondContact O-N 2.94Å; F379-P383 HydrophobicContact CB-CG 4.25Å; F379-P383 HydrophobicContact CD1-CG 4.03Å; F379-P383 VanDerWaalsContact O-CD 3.31Å; F379-P383 WeakPolarHBondContact O-CD 3.46Å; F379-L385 HydrophobicContact CE1-CD2 4.45Å; F379-L391 HydrophobicContact CB-CD1 3.84Å; F379-L391 HydrophobicContact CD1-CD1 4.2Å; F379-L391 HydrophobicContact CG-CD1 4.16Å; F379-Y404 HydrophobicContact CB-CE1 4.31Å; F379-Y404 HydrophobicContact CB-CE2 3.98Å; F379-Y404 HydrophobicContact CD2-CE2 4.27Å; F379-I419 HydrophobicContact CD1-CD1 4.21Å; F379-I419 HydrophobicContact CD2-CD1 3.57Å; F379-I419 HydrophobicContact CE1-CD1 4.26Å; F379-I419 HydrophobicContact CE2-CB 4.45Å; F379-I419 HydrophobicContact CE2-CD1 3.62Å; F379-I419 HydrophobicContact CE2-CG2 3.79Å; F379-I419 HydrophobicContact CG-CD1 3.88Å; F379-I419 HydrophobicContact CZ-CD1 3.98Å; F379-I419 HydrophobicContact CZ-CG2 3.91Å; F379-L462 HydrophobicContact CE1-CD1 4.34Å; F379-L462 HydrophobicContact CZ-CD1 4.11Å
380	K	92.4	Very high	95	Very high	87 Å²	87	55.3 Å²	55.3	38%	0.378	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-26.2	-172.1	69.7	-173.1	173.8	-175.8	0	115.5	K231 E374 D375 S377 H382	K231-K380 PolarHBondContact NZ-O 3.11Å; E374-K380 VanDerWaalsContact O-CB 3.29Å; E374-K380 WeakPolarHBondContact O-CB 3.46Å; D375-K380 VanDerWaalsContact O-CD 3.26Å; D375-K380 WeakPolarHBondContact O-CD 3.2Å; D375-K380 PolarHBondContact O-NZ 3.45Å; S377-K380 PolarHBondContact O-N 3.46Å; K380-H382 VanDerWaalsContact C-N 3.32Å; K380-H382 PolarHBondContact O-N 3.05Å
381	D	94.8	Very high	95.2	Very high	131 Å²	131	53.7 Å²	53.7	70%	0.701	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	34.9	-172.5	-63.4	-50.8	0	0	0	113.4	F379	F379-D381 VanDerWaalsContact C-N 3.32Å; F379-D381 PolarHBondContact O-N 2.94Å
382	H	95.7	Very high	95.4	Very high	15 Å²	15	53.2 Å²	53.2	7%	0.069	27%	0.271	C	S	.	.			trans	55.8	47	172.6	-56.4	84.3	0	0	0	115.6	I224 S227 K380 L390 L391 L392	I224-H382 HydrophobicContact CD1-CB 4.19Å; I224-H382 HydrophobicContact CG1-CB 3.9Å; I224-H382 HydrophobicContact CG2-CB 4.49Å; S227-H382 VanDerWaalsContact CB-NE2 3.34Å; S227-H382 WeakPolarHBondContact CB-NE2 3.41Å; S227-H382 PolarHBondContact OG-NE2 3.17Å; K380-H382 VanDerWaalsContact C-N 3.32Å; K380-H382 PolarHBondContact O-N 3.05Å; H382-L390 WeakPolarHBondContact O-CD1 3.46Å; H382-L391 WeakPolarHBondContact CA-O 3.5Å; H382-L391 WeakPolarHBondContact CB-O 3.48Å; H382-L391 PolarHBondContact CD2-O 2.77Å; H382-L391 VanDerWaalsContact CD2-O 3.31Å; H382-L392 PolarHBondContact CD2-O 3.24Å; H382-L392 PolarHBondContact NE2-O 3.41Å; H382-L392 VanDerWaalsContact NE2-O 3.11Å
383	P	96.9	Very high	95.5	Very high	41 Å²	41	49.5 Å²	49.5	27%	0.266	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-65.1	150.3	178.5	29.2	-34.2	0	0	0	111.3	F379 L391	F379-P383 HydrophobicContact CB-CG 4.25Å; F379-P383 HydrophobicContact CD1-CG 4.03Å; F379-P383 VanDerWaalsContact O-CD 3.31Å; F379-P383 WeakPolarHBondContact O-CD 3.46Å; P383-L391 HydrophobicContact CG-CD1 3.98Å; P383-L391 HydrophobicContact CG-CG 4.4Å; P383-L391 PolarHBondContact O-N 3.13Å
384	T	97.1	Very high	95.5	Very high	46 Å²	46	47.8 Å²	47.8	28%	0.282	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.5	168.4	-56	0	0	0	0	108.4	Y389 L409	T384-Y389 CarbonylContact C-O 3.45Å; T384-Y389 WeakPolarHBondContact CA-O 3.49Å; T384-L409 HydrophobicContact CG2-CD1 3.86Å
385	L	96.9	Very high	95.5	Very high	15 Å²	15	50.8 Å²	50.8	8%	0.079	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	144.5	176.7	-56	-173.5	0	0	0	110.8	F379 D387 R388 Y389 L391 V417 I419 F460 L462	F379-L385 HydrophobicContact CE1-CD2 4.45Å; L385-D387 PolarHBondContact O-N 2.85Å; L385-D387 VanDerWaalsContact O-N 3.11Å; L385-R388 PolarHBondContact O-N 3.01Å; L385-Y389 PolarHBondContact N-O 3.16Å; L385-Y389 PolarHBondContact O-N 3.14Å; L385-L391 HydrophobicContact CD1-CD1 3.91Å; L385-L391 HydrophobicContact CD1-CD2 4.12Å; L385-L391 HydrophobicContact CD1-CG 4.19Å; L385-L391 HydrophobicContact CG-CD1 4.14Å; L385-L391 HydrophobicContact CG-CD2 4.38Å; L385-L391 HydrophobicContact CG-CG 4.13Å; L385-V417 HydrophobicContact CD1-CG1 4.33Å; L385-I419 HydrophobicContact CD1-CD1 4.11Å; L385-I419 HydrophobicContact CD1-CG1 4.5Å; L385-F460 HydrophobicContact CB-CE2 4.04Å; L385-F460 HydrophobicContact CB-CZ 3.9Å; L385-F460 HydrophobicContact CD1-CZ 4.44Å; L385-L462 HydrophobicContact CD1-CD1 4.42Å; L385-L462 HydrophobicContact CD1-CD2 4.3Å; L385-L462 HydrophobicContact CD2-CD2 4.03Å
386	N	96.3	Very high	95.3	Very high	87 Å²	87	48.9 Å²	48.9	47%	0.465	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	34.9	179.6	-160.6	28.8	0	0	0	113.2	R388 Y389 F460	N386-R388 VanDerWaalsContact O-CB 3.3Å; N386-R388 WeakPolarHBondContact O-CB 3.34Å; N386-R388 PolarHBondContact O-N 2.82Å; N386-Y389 HydrophobicContact CB-CD2 4.1Å; N386-Y389 HydrophobicContact CB-CE2 4.25Å; N386-F460 HydrophobicContact CB-CD1 4.15Å; N386-F460 HydrophobicContact CB-CD2 3.95Å; N386-F460 HydrophobicContact CB-CE1 4.09Å; N386-F460 HydrophobicContact CB-CE2 3.88Å; N386-F460 HydrophobicContact CB-CG 4.09Å; N386-F460 HydrophobicContact CB-CZ 3.95Å
387	D	94.4	Very high	95.1	Very high	153 Å²	153	50.1 Å²	50.1	82%	0.818	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	14.7	-174.8	-63.3	-45.7	0	0	0	116.3	L385	L385-D387 PolarHBondContact O-N 2.85Å; L385-D387 VanDerWaalsContact O-N 3.11Å
388	R	96.6	Very high	94.5	Very high	56 Å²	56	51.8 Å²	51.8	21%	0.211	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-38.5	-167.8	177.5	173.9	173.9	179.6	0.6	113.8	L385 N386 D408 L409 E411	L385-R388 PolarHBondContact O-N 3.01Å; N386-R388 VanDerWaalsContact O-CB 3.3Å; N386-R388 WeakPolarHBondContact O-CB 3.34Å; N386-R388 PolarHBondContact O-N 2.82Å; R388-D408 WeakPolarHBondContact CG-OD1 3.49Å; R388-D408 IonicContact CZ-OD1 3.89Å; R388-D408 IonicContact CZ-OD2 3.54Å; R388-D408 VanDerWaalsContact NE-CG 3.28Å; R388-D408 IonicContact NE-OD1 3.19Å; R388-D408 PolarHBondContact NE-OD1 3Å; R388-D408 IonicContact NE-OD2 2.83Å; R388-D408 PolarHBondContact NE-OD2 2.84Å; R388-D408 VanDerWaalsContact NE-OD2 3.16Å; R388-D408 IonicContact NH2-OD1 3.78Å; R388-D408 IonicContact NH2-OD2 3.13Å; R388-D408 PolarHBondContact NH2-OD2 3.48Å; R388-L409 WeakPolarHBondContact O-CB 3.45Å; R388-L409 VanDerWaalsContact O-CD1 3.3Å; R388-L409 WeakPolarHBondContact O-CD1 3.28Å; R388-L409 WeakPolarHBondContact O-CG 3.42Å; R388-L409 PolarHBondContact O-N 2.96Å; R388-E411 IonicContact NH2-OE1 3.39Å
389	Y	98.3	Very high	93.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	98.3	-170.7	-54.3	-66.5	0	0	0	110.7	T384 L385 N386 L391 D408 V415 D458 F460 V470	T384-Y389 CarbonylContact C-O 3.45Å; T384-Y389 WeakPolarHBondContact CA-O 3.49Å; L385-Y389 PolarHBondContact N-O 3.16Å; L385-Y389 PolarHBondContact O-N 3.14Å; N386-Y389 HydrophobicContact CB-CD2 4.1Å; N386-Y389 HydrophobicContact CB-CE2 4.25Å; Y389-L391 PolarHBondContact O-N 3.3Å; Y389-D408 HydrophobicContact CD1-CB 4.16Å; Y389-D408 HydrophobicContact CE1-CB 4.16Å; Y389-V415 HydrophobicContact CD1-CG2 4.18Å; Y389-D458 WeakPolarHBondContact CE2-OD2 3.25Å; Y389-D458 VanDerWaalsContact OH-CB 3.24Å; Y389-D458 WeakPolarHBondContact OH-CB 3.38Å; Y389-D458 VanDerWaalsContact OH-CG 3.29Å; Y389-D458 PolarHBondContact OH-OD2 3.12Å; Y389-F460 HydrophobicContact CD2-CD1 4.47Å; Y389-F460 AromaticContact CD2-CE1 3.51Å; Y389-F460 HydrophobicContact CD2-CE1 3.51Å; Y389-F460 AromaticContact CD2-CZ 3.85Å; Y389-F460 HydrophobicContact CD2-CZ 3.85Å; Y389-F460 HydrophobicContact CE2-CD1 4.06Å; Y389-F460 AromaticContact CE2-CE1 3.46Å; Y389-F460 HydrophobicContact CE2-CE1 3.46Å; Y389-F460 VanDerWaalsContact CE2-CE1 3.46Å; Y389-F460 HydrophobicContact CE2-CZ 4.26Å; Y389-V470 HydrophobicContact CD1-CG1 4.26Å; Y389-V470 HydrophobicContact CD1-CG2 4.47Å; Y389-V470 HydrophobicContact CD2-CG2 4.19Å; Y389-V470 HydrophobicContact CE1-CG1 3.9Å; Y389-V470 HydrophobicContact CE1-CG2 4.19Å; Y389-V470 HydrophobicContact CE2-CG2 3.87Å; Y389-V470 HydrophobicContact CG-CG2 4.48Å
390	L	98.3	Very high	93.1	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	110.7	175.8	175.6	67.1	0	0	0	109.9	K220 L223 I224 H382 L392 A406 F407 L409	K220-L390 HydrophobicContact CB-CD2 4.27Å; K220-L390 HydrophobicContact CG-CD2 4.18Å; L223-L390 HydrophobicContact CB-CD2 3.93Å; L223-L390 HydrophobicContact CD1-CD2 4.1Å; I224-L390 HydrophobicContact CD1-CD1 4.23Å; I224-L390 HydrophobicContact CG1-CD1 4.29Å; I224-L390 HydrophobicContact CG1-CD2 4.26Å; H382-L390 WeakPolarHBondContact O-CD1 3.46Å; L390-L392 HydrophobicContact CD2-CD2 4.13Å; L390-L392 HydrophobicContact CG-CD2 4.17Å; L390-A406 CarbonylContact O-C 3.48Å; L390-A406 WeakPolarHBondContact O-CA 3.24Å; L390-A406 VanDerWaalsContact O-CB 3.3Å; L390-A406 WeakPolarHBondContact O-CB 3.49Å; L390-F407 PolarHBondContact N-O 3.12Å; L390-F407 PolarHBondContact O-N 2.94Å; L390-L409 HydrophobicContact CB-CD1 4.34Å; L390-L409 HydrophobicContact CB-CD2 4.44Å; L390-L409 HydrophobicContact CB-CG 4.42Å
391	L	98.3	Very high	92.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	142	175.7	-58.9	-167.9	0	0	0	111.2	F379 H382 P383 L385 Y389 Y404 A406 V417 I419	F379-L391 HydrophobicContact CB-CD1 3.84Å; F379-L391 HydrophobicContact CD1-CD1 4.2Å; F379-L391 HydrophobicContact CG-CD1 4.16Å; H382-L391 WeakPolarHBondContact CA-O 3.5Å; H382-L391 WeakPolarHBondContact CB-O 3.48Å; H382-L391 PolarHBondContact CD2-O 2.77Å; H382-L391 VanDerWaalsContact CD2-O 3.31Å; P383-L391 HydrophobicContact CG-CD1 3.98Å; P383-L391 HydrophobicContact CG-CG 4.4Å; P383-L391 PolarHBondContact O-N 3.13Å; L385-L391 HydrophobicContact CD1-CD1 3.91Å; L385-L391 HydrophobicContact CD1-CD2 4.12Å; L385-L391 HydrophobicContact CD1-CG 4.19Å; L385-L391 HydrophobicContact CG-CD1 4.14Å; L385-L391 HydrophobicContact CG-CD2 4.38Å; L385-L391 HydrophobicContact CG-CG 4.13Å; Y389-L391 PolarHBondContact O-N 3.3Å; L391-Y404 HydrophobicContact CB-CD1 4.37Å; L391-Y404 HydrophobicContact CD1-CD1 4.39Å; L391-Y404 HydrophobicContact CD1-CD2 4.41Å; L391-Y404 HydrophobicContact CD1-CG 4.16Å; L391-A406 HydrophobicContact CD2-CB 3.72Å; L391-V417 HydrophobicContact CD2-CB 4.03Å; L391-V417 HydrophobicContact CD2-CG1 4.34Å; L391-V417 HydrophobicContact CD2-CG2 4.08Å; L391-I419 HydrophobicContact CD1-CD1 3.92Å
392	L	97.3	Very high	92.9	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-79.5	-177.7	-57.1	177.3	0	0	0	111.7	L223 S227 K231 H382 L390 K405 Y414	L223-L392 HydrophobicContact CB-CD2 4.18Å; S227-L392 PolarHBondContact OG-O 2.97Å; K231-L392 VanDerWaalsContact CE-O 3.28Å; K231-L392 WeakPolarHBondContact CE-O 3.41Å; K231-L392 PolarHBondContact NZ-O 3.33Å; H382-L392 PolarHBondContact CD2-O 3.24Å; H382-L392 PolarHBondContact NE2-O 3.41Å; H382-L392 VanDerWaalsContact NE2-O 3.11Å; L390-L392 HydrophobicContact CD2-CD2 4.13Å; L390-L392 HydrophobicContact CG-CD2 4.17Å; L392-K405 WeakPolarHBondContact CA-O 3.47Å; L392-K405 WeakPolarHBondContact CB-O 3.37Å; L392-K405 HydrophobicContact CD1-CG 4.39Å; L392-K405 PolarHBondContact N-O 3.46Å; L392-Y414 HydrophobicContact CD1-CD1 4.09Å; L392-Y414 HydrophobicContact CD1-CE1 3.68Å
393	H	95.1	Very high	92.9	Very high	34 Å²	34	42.3 Å²	42.3	16%	0.157	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153.5	-178.9	68.1	80.7	0	0	0	111.4	E230 K231 E374 L395 K405	E230-H393 IonicContact OE2-CD2 2.73Å; K231-H393 HydrophobicContact CG-CB 4.48Å; E374-H393 WeakPolarHBondContact OE1-CA 3.5Å; E374-H393 VanDerWaalsContact OE1-CB 3.25Å; E374-H393 WeakPolarHBondContact OE1-CB 3.45Å; H393-L395 PolarHBondContact O-N 3.25Å; H393-K405 VanDerWaalsContact NE2-CD 3.28Å; H393-K405 WeakPolarHBondContact NE2-CD 3.32Å; H393-K405 PolarHBondContact O-N 3.38Å
394	L	95.8	Very high	92.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.1	178.5	-173.9	71.8	0	0	0	109.5	R370 N373 E374 G396 E402 Y404	R370-L394 WeakPolarHBondContact CD-O 3.42Å; R370-L394 HydrophobicContact CG-CD2 4.48Å; R370-L394 PolarHBondContact NH1-O 2.97Å; N373-L394 HydrophobicContact CB-CD2 3.67Å; E374-L394 HydrophobicContact CB-CB 3.85Å; E374-L394 HydrophobicContact CB-CD2 4.03Å; E374-L394 HydrophobicContact CG-CB 4.01Å; E374-L394 PolarHBondContact OE1-N 2.88Å; L394-G396 WeakPolarHBondContact CD1-O 3.5Å; L394-E402 HydrophobicContact CD1-CB 3.94Å; L394-E402 HydrophobicContact CD1-CG 4.39Å; L394-Y404 HydrophobicContact CB-CD1 4.48Å; L394-Y404 HydrophobicContact CB-CE1 4Å; L394-Y404 HydrophobicContact CD1-CD2 3.93Å; L394-Y404 HydrophobicContact CD1-CE1 4.29Å; L394-Y404 HydrophobicContact CD1-CE2 3.47Å; L394-Y404 VanDerWaalsContact CD1-CE2 3.47Å; L394-Y404 HydrophobicContact CD1-CG 4.5Å
395	L	93.1	Very high	92.9	Very high	64 Å²	64	39.2 Å²	39.2	34%	0.335	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-41.4	171.5	-64.6	173.5	0	0	0	110.9	H393 V403 K405 A416 Y473	H393-L395 PolarHBondContact O-N 3.25Å; L395-V403 WeakPolarHBondContact CA-O 3.26Å; L395-V403 HydrophobicContact CB-CG1 4.44Å; L395-V403 WeakPolarHBondContact CB-O 2.99Å; L395-V403 HydrophobicContact CD1-CG1 4.24Å; L395-V403 PolarHBondContact N-O 3.39Å; L395-K405 HydrophobicContact CD1-CB 4.11Å; L395-K405 HydrophobicContact CD2-CB 4.09Å; L395-K405 HydrophobicContact CG-CB 4.06Å; L395-A416 HydrophobicContact CD1-CB 4.38Å; L395-Y473 HydrophobicContact CD1-CD2 4.18Å; L395-Y473 HydrophobicContact CD1-CE2 3.97Å; L395-Y473 HydrophobicContact CD2-CE2 4.25Å
396	G	90.9	Very high	93	Very high	25 Å²	25	38.5 Å²	38.5	26%	0.258	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	163.3	178.8	0	0	0	0	0	113.2	L394 V403	L394-G396 WeakPolarHBondContact CD1-O 3.5Å; G396-V403 PolarHBondContact N-O 2.83Å; G396-V403 PolarHBondContact O-N 3.21Å
397	R	89.4	Confident	93.1	Very high	130 Å²	130	35.9 Å²	35.9	49%	0.491	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.5	176.9	-175.2	174.7	-171.4	-169	7.2	109.5	N373 E402	N373-R397 HydrophobicContact CB-CB 4.33Å; N373-R397 VanDerWaalsContact CG-CD 3.48Å; N373-R397 WeakPolarHBondContact OD1-CD 3.38Å; N373-R397 PolarHBondContact OD1-NH1 3.47Å; R397-E402 HydrophobicContact CG-CG 4.01Å; R397-E402 IonicContact CZ-OE1 2.7Å; R397-E402 IonicContact NE-OE1 2.97Å
398	G	80	Confident	93.3	Very high	39 Å²	39	28.6 Å²	28.6	40%	0.402	17%	0.168	S	C	.	.			trans	-97.4	-174	168.8	0	0	0	0	0	111.3	F400 S401	G398-F400 VanDerWaalsContact C-N 3.34Å; G398-F400 PolarHBondContact O-N 3.06Å; G398-S401 PolarHBondContact N-O 3.3Å
399	G	77.1	Confident	93.3	Very high	75 Å²	75	26.8 Å²	26.8	77%	0.773	16%	0.162	S	C	*	.	S	Bend	trans	-62.6	-37.5	-178.5	0	0	0	0	0	114.1
400	F	80.6	Confident	93.1	Very high	52 Å²	52	31.2 Å²	31.2	23%	0.228	19%	0.19	C	C	.	.	S	Bend	trans	-129.3	15.8	-176.2	-54.8	-77.6	0	0	0	112.7	A18 R19 G398 H420 Q421 W426	A18-F400 VanDerWaalsContact O-CZ 3.24Å; A18-F400 WeakPolarHBondContact O-CZ 3.06Å; R19-F400 HydrophobicContact CG-CE2 4.03Å; G398-F400 VanDerWaalsContact C-N 3.34Å; G398-F400 PolarHBondContact O-N 3.06Å; F400-H420 WeakPolarHBondContact O-CA 3.46Å; F400-Q421 PolarHBondContact O-N 3.33Å; F400-W426 HydrophobicContact CD1-CH2 4.14Å; F400-W426 HydrophobicContact CD1-CZ2 4.31Å; F400-W426 AromaticContact CE1-CH2 3.88Å; F400-W426 HydrophobicContact CE1-CH2 3.88Å; F400-W426 AromaticContact CE1-CZ2 3.65Å; F400-W426 HydrophobicContact CE1-CZ2 3.65Å; F400-W426 HydrophobicContact CZ-CH2 4.32Å; F400-W426 HydrophobicContact CZ-CZ2 4.1Å
401	S	88.9	Confident	93	Very high	21 Å²	21	36.5 Å²	36.5	15%	0.147	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	148.6	-176	63.4	0	0	0	0	113.4	G398 I419	G398-S401 PolarHBondContact N-O 3.3Å; S401-I419 CarbonylContact C-O 3.24Å; S401-I419 WeakPolarHBondContact CA-O 3.22Å; S401-I419 WeakPolarHBondContact CB-O 3.47Å
402	E	94.1	Very high	92.9	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.028	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.1	170.3	-67.3	-179.4	166.1	0	0	109	S377 L394 R397 Y404 K418 I419	S377-E402 WeakPolarHBondContact CB-OE2 3.41Å; S377-E402 PolarHBondContact OG-OE2 3.15Å; L394-E402 HydrophobicContact CD1-CB 3.94Å; L394-E402 HydrophobicContact CD1-CG 4.39Å; R397-E402 HydrophobicContact CG-CG 4.01Å; R397-E402 IonicContact CZ-OE1 2.7Å; R397-E402 IonicContact NE-OE1 2.97Å; E402-Y404 HydrophobicContact CB-CD2 4.25Å; E402-Y404 HydrophobicContact CB-CE2 3.85Å; E402-K418 CarbonylContact O-C 3.55Å; E402-K418 WeakPolarHBondContact O-CA 3.09Å; E402-I419 PolarHBondContact N-O 3.48Å; E402-I419 PolarHBondContact O-N 2.66Å
403	V	95.4	Very high	92.9	Very high	37 Å²	37	46.4 Å²	46.4	22%	0.224	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.3	178.3	-171.2	0	0	0	0	108.5	L395 G396 A416 V417 K418	L395-V403 WeakPolarHBondContact CA-O 3.26Å; L395-V403 HydrophobicContact CB-CG1 4.44Å; L395-V403 WeakPolarHBondContact CB-O 2.99Å; L395-V403 HydrophobicContact CD1-CG1 4.24Å; L395-V403 PolarHBondContact N-O 3.39Å; G396-V403 PolarHBondContact N-O 2.83Å; G396-V403 PolarHBondContact O-N 3.21Å; V403-A416 HydrophobicContact CG1-CB 4.27Å; V403-V417 CarbonylContact C-O 3.57Å; V403-V417 WeakPolarHBondContact CA-O 3.12Å; V403-K418 HydrophobicContact CG2-CB 4.15Å; V403-K418 HydrophobicContact CG2-CG 4.02Å
404	Y	97.6	Very high	93	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.2	179.4	-82.7	-95.5	0	0	0	111.3	S377 F379 L391 L394 E402 A416 V417 I419	S377-Y404 WeakPolarHBondContact CB-OH 3.37Å; S377-Y404 PolarHBondContact OG-OH 2.69Å; F379-Y404 HydrophobicContact CB-CE1 4.31Å; F379-Y404 HydrophobicContact CB-CE2 3.98Å; F379-Y404 HydrophobicContact CD2-CE2 4.27Å; L391-Y404 HydrophobicContact CB-CD1 4.37Å; L391-Y404 HydrophobicContact CD1-CD1 4.39Å; L391-Y404 HydrophobicContact CD1-CD2 4.41Å; L391-Y404 HydrophobicContact CD1-CG 4.16Å; L394-Y404 HydrophobicContact CB-CD1 4.48Å; L394-Y404 HydrophobicContact CB-CE1 4Å; L394-Y404 HydrophobicContact CD1-CD2 3.93Å; L394-Y404 HydrophobicContact CD1-CE1 4.29Å; L394-Y404 HydrophobicContact CD1-CE2 3.47Å; L394-Y404 VanDerWaalsContact CD1-CE2 3.47Å; L394-Y404 HydrophobicContact CD1-CG 4.5Å; E402-Y404 HydrophobicContact CB-CD2 4.25Å; E402-Y404 HydrophobicContact CB-CE2 3.85Å; Y404-A416 CarbonylContact O-C 3.58Å; Y404-A416 WeakPolarHBondContact O-CA 3.29Å; Y404-V417 PolarHBondContact N-O 2.7Å; Y404-V417 PolarHBondContact O-N 3.44Å; Y404-I419 HydrophobicContact CD2-CD1 3.88Å; Y404-I419 HydrophobicContact CE2-CD1 4.27Å
405	K	97.3	Very high	93.1	Very high	22 Å²	22	48.2 Å²	48.2	10%	0.096	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	131.2	157.4	-172.4	179.3	-175.7	166	0	107.2	L392 H393 L395 Y414 Y473	L392-K405 WeakPolarHBondContact CA-O 3.47Å; L392-K405 WeakPolarHBondContact CB-O 3.37Å; L392-K405 HydrophobicContact CD1-CG 4.39Å; L392-K405 PolarHBondContact N-O 3.46Å; H393-K405 VanDerWaalsContact NE2-CD 3.28Å; H393-K405 WeakPolarHBondContact NE2-CD 3.32Å; H393-K405 PolarHBondContact O-N 3.38Å; L395-K405 HydrophobicContact CD1-CB 4.11Å; L395-K405 HydrophobicContact CD2-CB 4.09Å; L395-K405 HydrophobicContact CG-CB 4.06Å; K405-Y414 HydrophobicContact CG-CD1 4.41Å; K405-Y473 HydrophobicContact CD-CE1 4.22Å; K405-Y473 HydrophobicContact CD-CE2 4.13Å; K405-Y473 HydrophobicContact CG-CD2 4.36Å; K405-Y473 HydrophobicContact CG-CE2 4.05Å; K405-Y473 PolarHBondContact NZ-OH 2.85Å
406	A	98.4	Very high	93.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	167.7	177.5	0	0	0	0	0	110.8	L390 L391 Y414 V415 V417	L390-A406 CarbonylContact O-C 3.48Å; L390-A406 WeakPolarHBondContact O-CA 3.24Å; L390-A406 VanDerWaalsContact O-CB 3.3Å; L390-A406 WeakPolarHBondContact O-CB 3.49Å; L391-A406 HydrophobicContact CD2-CB 3.72Å; A406-Y414 WeakPolarHBondContact O-CA 3.46Å; A406-V415 HydrophobicContact CB-CG2 3.93Å; A406-V415 PolarHBondContact N-O 3.09Å; A406-V415 PolarHBondContact O-N 3.44Å; A406-V417 HydrophobicContact CB-CB 4.49Å; A406-V417 HydrophobicContact CB-CG2 3.57Å
407	F	98.3	Very high	93.6	Very high	31 Å²	31	44.4 Å²	44.4	14%	0.136	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.1	172.5	-167.4	-96.5	0	0	0	109.6	L223 L390 L409 Q412 Y414	L223-F407 HydrophobicContact CD1-CB 3.89Å; L223-F407 HydrophobicContact CD1-CD1 3.5Å; L223-F407 VanDerWaalsContact CD1-CD1 3.5Å; L223-F407 HydrophobicContact CD1-CD2 4.17Å; L223-F407 HydrophobicContact CD1-CE1 4.01Å; L223-F407 HydrophobicContact CD1-CG 3.57Å; L223-F407 HydrophobicContact CD2-CD2 4.33Å; L223-F407 HydrophobicContact CD2-CG 4.46Å; L390-F407 PolarHBondContact N-O 3.12Å; L390-F407 PolarHBondContact O-N 2.94Å; F407-L409 HydrophobicContact CD1-CD2 4.1Å; F407-L409 PolarHBondContact O-N 3.09Å; F407-Q412 HydrophobicContact CE1-CB 4.48Å; F407-Q412 VanDerWaalsContact CZ-C 3.41Å; F407-Q412 HydrophobicContact CZ-CB 4.16Å; F407-Y414 HydrophobicContact CB-CD1 4.49Å; F407-Y414 AromaticContact CD2-CD1 3.82Å; F407-Y414 HydrophobicContact CD2-CD1 3.82Å; F407-Y414 AromaticContact CD2-CE1 3.8Å; F407-Y414 HydrophobicContact CD2-CE1 3.8Å; F407-Y414 HydrophobicContact CD2-CE2 4.5Å; F407-Y414 HydrophobicContact CD2-CG 4.18Å
408	D	98.2	Very high	93.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	110.9	171.4	-176.6	-19	0	0	0	108.6	R388 Y389 T410 E411 Q412 R413 V415	R388-D408 WeakPolarHBondContact CG-OD1 3.49Å; R388-D408 IonicContact CZ-OD1 3.89Å; R388-D408 IonicContact CZ-OD2 3.54Å; R388-D408 VanDerWaalsContact NE-CG 3.28Å; R388-D408 IonicContact NE-OD1 3.19Å; R388-D408 PolarHBondContact NE-OD1 3Å; R388-D408 IonicContact NE-OD2 2.83Å; R388-D408 PolarHBondContact NE-OD2 2.84Å; R388-D408 VanDerWaalsContact NE-OD2 3.16Å; R388-D408 IonicContact NH2-OD1 3.78Å; R388-D408 IonicContact NH2-OD2 3.13Å; R388-D408 PolarHBondContact NH2-OD2 3.48Å; Y389-D408 HydrophobicContact CD1-CB 4.16Å; Y389-D408 HydrophobicContact CE1-CB 4.16Å; D408-T410 VanDerWaalsContact C-N 3.25Å; D408-T410 PolarHBondContact O-N 3.06Å; D408-T410 WeakPolarHBondContact OD1-CB 3.27Å; D408-T410 PolarHBondContact OD1-N 3.36Å; D408-E411 HydrophobicContact CB-CB 4.41Å; D408-E411 PolarHBondContact OD1-N 3.03Å; D408-E411 WeakPolarHBondContact OD2-CB 3.29Å; D408-E411 VanDerWaalsContact OD2-CG 3.26Å; D408-E411 WeakPolarHBondContact OD2-CG 3.48Å; D408-Q412 WeakPolarHBondContact O-CA 3.42Å; D408-Q412 PolarHBondContact O-N 3.22Å; D408-R413 HydrophobicContact CB-CG 4.22Å; D408-R413 PolarHBondContact N-O 3.25Å; D408-R413 PolarHBondContact O-N 3.34Å; D408-V415 HydrophobicContact CB-CG1 4.17Å
409	L	96.2	Very high	94.5	Very high	18 Å²	18	37.5 Å²	37.5	9%	0.094	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-18.5	-176.2	-62.6	160.7	0	0	0	112.9	V216 K220 T384 R388 L390 F407	V216-L409 HydrophobicContact CG1-CD2 4.31Å; K220-L409 HydrophobicContact CD-CD1 4.36Å; K220-L409 HydrophobicContact CG-CD1 4.36Å; K220-L409 HydrophobicContact CG-CD2 3.72Å; T384-L409 HydrophobicContact CG2-CD1 3.86Å; R388-L409 WeakPolarHBondContact O-CB 3.45Å; R388-L409 VanDerWaalsContact O-CD1 3.3Å; R388-L409 WeakPolarHBondContact O-CD1 3.28Å; R388-L409 WeakPolarHBondContact O-CG 3.42Å; R388-L409 PolarHBondContact O-N 2.96Å; L390-L409 HydrophobicContact CB-CD1 4.34Å; L390-L409 HydrophobicContact CB-CD2 4.44Å; L390-L409 HydrophobicContact CB-CG 4.42Å; F407-L409 HydrophobicContact CD1-CD2 4.1Å; F407-L409 PolarHBondContact O-N 3.09Å
410	T	94.8	Very high	95.1	Very high	94 Å²	94	34.1 Å²	34.1	58%	0.577	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-53.1	179.3	-54.5	0	0	0	0	110.4	D408 Q412	D408-T410 VanDerWaalsContact C-N 3.25Å; D408-T410 PolarHBondContact O-N 3.06Å; D408-T410 WeakPolarHBondContact OD1-CB 3.27Å; D408-T410 PolarHBondContact OD1-N 3.36Å; T410-Q412 VanDerWaalsContact C-N 3.32Å
411	E	96.7	Very high	95.4	Very high	111 Å²	111	34.4 Å²	34.4	52%	0.519	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-5.2	-178.9	-58.5	-69.5	163.6	0	0	113.1	R388 D408 R413	R388-E411 IonicContact NH2-OE1 3.39Å; D408-E411 HydrophobicContact CB-CB 4.41Å; D408-E411 PolarHBondContact OD1-N 3.03Å; D408-E411 WeakPolarHBondContact OD2-CB 3.29Å; D408-E411 VanDerWaalsContact OD2-CG 3.26Å; D408-E411 WeakPolarHBondContact OD2-CG 3.48Å; E411-R413 HydrophobicContact CB-CG 4.07Å; E411-R413 PolarHBondContact O-N 3Å
412	Q	95.4	Very high	95.2	Very high	131 Å²	131	34 Å²	34	61%	0.612	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	46.2	177.4	-57	-172.4	-23.4	0	0	114	F407 D408 T410	F407-Q412 HydrophobicContact CE1-CB 4.48Å; F407-Q412 VanDerWaalsContact CZ-C 3.41Å; F407-Q412 HydrophobicContact CZ-CB 4.16Å; D408-Q412 WeakPolarHBondContact O-CA 3.42Å; D408-Q412 PolarHBondContact O-N 3.22Å; T410-Q412 VanDerWaalsContact C-N 3.32Å
413	R	96.7	Very high	94.5	Very high	84 Å²	84	36.9 Å²	36.9	32%	0.317	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.1	-179.4	65.5	-175.9	177.5	179.6	-1.8	112.6	D408 E411 V415 Y457	D408-R413 HydrophobicContact CB-CG 4.22Å; D408-R413 PolarHBondContact N-O 3.25Å; D408-R413 PolarHBondContact O-N 3.34Å; E411-R413 HydrophobicContact CB-CG 4.07Å; E411-R413 PolarHBondContact O-N 3Å; R413-V415 HydrophobicContact CG-CG1 4.16Å; R413-Y457 VanDerWaalsContact CZ-CZ 3.48Å; R413-Y457 VanDerWaalsContact NH1-CZ 3.27Å; R413-Y457 PolarHBondContact NH1-OH 3.28Å
414	Y	97.6	Very high	93.8	Very high	71 Å²	71	42.5 Å²	42.5	28%	0.278	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	140.2	169.6	-67.8	-73.1	0	0	0	110.8	L223 L392 K405 A406 F407	L223-Y414 HydrophobicContact CD2-CE1 4.26Å; L392-Y414 HydrophobicContact CD1-CD1 4.09Å; L392-Y414 HydrophobicContact CD1-CE1 3.68Å; K405-Y414 HydrophobicContact CG-CD1 4.41Å; A406-Y414 WeakPolarHBondContact O-CA 3.46Å; F407-Y414 HydrophobicContact CB-CD1 4.49Å; F407-Y414 AromaticContact CD2-CD1 3.82Å; F407-Y414 HydrophobicContact CD2-CD1 3.82Å; F407-Y414 AromaticContact CD2-CE1 3.8Å; F407-Y414 HydrophobicContact CD2-CE1 3.8Å; F407-Y414 HydrophobicContact CD2-CE2 4.5Å; F407-Y414 HydrophobicContact CD2-CG 4.18Å
415	V	98.3	Very high	93.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	160.1	178.5	-61	0	0	0	0	110	Y389 A406 D408 R413 V417 Y457 V470	Y389-V415 HydrophobicContact CD1-CG2 4.18Å; A406-V415 HydrophobicContact CB-CG2 3.93Å; A406-V415 PolarHBondContact N-O 3.09Å; A406-V415 PolarHBondContact O-N 3.44Å; D408-V415 HydrophobicContact CB-CG1 4.17Å; R413-V415 HydrophobicContact CG-CG1 4.16Å; V415-V417 HydrophobicContact CG2-CG2 4.08Å; V415-Y457 HydrophobicContact CG1-CD2 3.91Å; V415-Y457 HydrophobicContact CG1-CE2 4.12Å; V415-V470 HydrophobicContact CB-CG1 3.73Å; V415-V470 HydrophobicContact CG1-CG1 4.07Å; V415-V470 HydrophobicContact CG2-CG1 3.73Å
416	A	97.8	Very high	92.3	Very high	10 Å²	10	49.9 Å²	49.9	8%	0.083	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.3	170.3	0	0	0	0	0	108.9	L395 V403 Y404 L471	L395-A416 HydrophobicContact CD1-CB 4.38Å; V403-A416 HydrophobicContact CG1-CB 4.27Å; Y404-A416 CarbonylContact O-C 3.58Å; Y404-A416 WeakPolarHBondContact O-CA 3.29Å; A416-L471 HydrophobicContact CB-CB 4.25Å; A416-L471 PolarHBondContact N-O 2.86Å; A416-L471 PolarHBondContact O-N 2.86Å
417	V	97.4	Very high	91.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.8	178.9	-177.6	0	0	0	0	108.4	L385 L391 V403 Y404 A406 V415 I419 C468 V470	L385-V417 HydrophobicContact CD1-CG1 4.33Å; L391-V417 HydrophobicContact CD2-CB 4.03Å; L391-V417 HydrophobicContact CD2-CG1 4.34Å; L391-V417 HydrophobicContact CD2-CG2 4.08Å; V403-V417 CarbonylContact C-O 3.57Å; V403-V417 WeakPolarHBondContact CA-O 3.12Å; Y404-V417 PolarHBondContact N-O 2.7Å; Y404-V417 PolarHBondContact O-N 3.44Å; A406-V417 HydrophobicContact CB-CB 4.49Å; A406-V417 HydrophobicContact CB-CG2 3.57Å; V415-V417 HydrophobicContact CG2-CG2 4.08Å; V417-I419 HydrophobicContact CG1-CG1 4.02Å; V417-C468 HydrophobicContact CG1-CB 4.19Å; V417-V470 HydrophobicContact CG2-CG1 4.49Å; V417-V470 HydrophobicContact CG2-CG2 4.37Å
418	K	94.4	Very high	91	Very high	24 Å²	24	61.1 Å²	61.1	10%	0.104	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	108.9	174.1	-179.5	-177.8	-176.3	-173.3	0	107.9	E402 V403 H420 E441 C468 T469 L471 D540	E402-K418 CarbonylContact O-C 3.55Å; E402-K418 WeakPolarHBondContact O-CA 3.09Å; V403-K418 HydrophobicContact CG2-CB 4.15Å; V403-K418 HydrophobicContact CG2-CG 4.02Å; K418-H420 PolarHBondContact O-CD2 3.06Å; K418-E441 IonicContact NZ-OE1 3.68Å; K418-E441 PolarHBondContact NZ-OE1 2.9Å; K418-C468 WeakPolarHBondContact O-CA 3.45Å; K418-T469 WeakPolarHBondContact CB-OG1 3.44Å; K418-T469 PolarHBondContact N-O 2.89Å; K418-T469 PolarHBondContact O-N 3.04Å; K418-L471 HydrophobicContact CB-CD1 4.27Å; K418-D540 IonicContact NZ-OD1 3.51Å; K418-D540 PolarHBondContact NZ-OD1 3.35Å
419	I	94	Very high	90.3	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	114.5	-180	-50	175.9	0	0	0	107.5	F379 L385 L391 S401 E402 Y404 V417 L462	F379-I419 HydrophobicContact CD1-CD1 4.21Å; F379-I419 HydrophobicContact CD2-CD1 3.57Å; F379-I419 HydrophobicContact CE1-CD1 4.26Å; F379-I419 HydrophobicContact CE2-CB 4.45Å; F379-I419 HydrophobicContact CE2-CD1 3.62Å; F379-I419 HydrophobicContact CE2-CG2 3.79Å; F379-I419 HydrophobicContact CG-CD1 3.88Å; F379-I419 HydrophobicContact CZ-CD1 3.98Å; F379-I419 HydrophobicContact CZ-CG2 3.91Å; L385-I419 HydrophobicContact CD1-CD1 4.11Å; L385-I419 HydrophobicContact CD1-CG1 4.5Å; L391-I419 HydrophobicContact CD1-CD1 3.92Å; S401-I419 CarbonylContact C-O 3.24Å; S401-I419 WeakPolarHBondContact CA-O 3.22Å; S401-I419 WeakPolarHBondContact CB-O 3.47Å; E402-I419 PolarHBondContact N-O 3.48Å; E402-I419 PolarHBondContact O-N 2.66Å; Y404-I419 HydrophobicContact CD2-CD1 3.88Å; Y404-I419 HydrophobicContact CE2-CD1 4.27Å; V417-I419 HydrophobicContact CG1-CG1 4.02Å; I419-L462 HydrophobicContact CG2-CD1 3.94Å
420	H	89.8	Confident	89.4	Confident	3 Å²	3	67 Å²	67	1%	0.014	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.7	177.3	-60.7	-112.6	0	0	0	109.2	F400 K418 S466 F467 T469	F400-H420 WeakPolarHBondContact O-CA 3.46Å; K418-H420 PolarHBondContact O-CD2 3.06Å; H420-S466 WeakPolarHBondContact O-CA 3.09Å; H420-S466 VanDerWaalsContact O-CB 3.27Å; H420-S466 WeakPolarHBondContact O-CB 3.3Å; H420-F467 HydrophobicContact CB-CD1 3.98Å; H420-F467 HydrophobicContact CB-CD2 4.07Å; H420-F467 HydrophobicContact CB-CE1 3.5Å; H420-F467 HydrophobicContact CB-CE2 3.61Å; H420-F467 HydrophobicContact CB-CG 4.23Å; H420-F467 HydrophobicContact CB-CZ 3.27Å; H420-F467 AromaticContact CD2-CD2 3.78Å; H420-F467 AromaticContact CD2-CE2 3.23Å; H420-F467 WeakPolarHBondContact CD2-CE2 3.4Å; H420-F467 AromaticContact CD2-CZ 3.75Å; H420-F467 AromaticContact CE1-CE2 3.89Å; H420-F467 AromaticContact CG-CE2 3.28Å; H420-F467 AromaticContact CG-CZ 3.25Å; H420-F467 PolarHBondContact N-O 2.87Å; H420-F467 AromaticContact ND1-CE2 3.72Å; H420-F467 AromaticContact ND1-CZ 3.49Å; H420-F467 WeakPolarHBondContact ND1-CZ 3.36Å; H420-F467 AromaticContact NE2-CE2 3.66Å; H420-F467 PolarHBondContact O-N 2.78Å; H420-T469 PolarHBondContact NE2-OG1 3.39Å
421	Q	86.9	Confident	88.6	Confident	59 Å²	59	63.9 Å²	63.9	28%	0.276	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	115	178.7	-72.7	170.5	43.2	0	0	109.2	F400	F400-Q421 PolarHBondContact O-N 3.33Å
422	L	82.9	Confident	87.8	Confident	12 Å²	12	63.7 Å²	63.7	6%	0.063	29%	0.293	C	S	.	.			trans	-74.4	147	173.6	-67.1	157.5	0	0	0	109.5	K424 W426 Y434 D465	L422-K424 PolarHBondContact O-N 2.9Å; L422-W426 HydrophobicContact CD2-CE3 4.14Å; L422-W426 HydrophobicContact CD2-CZ3 3.85Å; L422-Y434 HydrophobicContact CD2-CD1 3.28Å; L422-Y434 HydrophobicContact CD2-CD2 4.19Å; L422-Y434 HydrophobicContact CD2-CE1 3.94Å; L422-Y434 HydrophobicContact CD2-CG 3.42Å; L422-Y434 VanDerWaalsContact CD2-CG 3.42Å; L422-Y434 HydrophobicContact CG-CD1 4.28Å; L422-D465 HydrophobicContact CB-CB 4.3Å; L422-D465 VanDerWaalsContact CB-O 3.23Å; L422-D465 WeakPolarHBondContact CB-O 3.27Å; L422-D465 PolarHBondContact N-O 3.33Å
423	N	79.8	Confident	87	Confident	66 Å²	66	60.8 Å²	60.8	35%	0.353	28%	0.282	S	S	.	.			trans	-70.8	121.1	171.6	-175.7	-27.1	0	0	0	109	N425 W426 K431	N423-N425 PolarHBondContact O-N 3.07Å; N423-N425 VanDerWaalsContact O-N 3.16Å; N423-N425 WeakPolarHBondContact OD1-CB 3.48Å; N423-N425 PolarHBondContact OD1-N 3.43Å; N423-W426 HydrophobicContact CB-CD2 3.82Å; N423-W426 HydrophobicContact CB-CG 3.86Å; N423-W426 HydrophobicContact CB-CZ2 4.2Å; N423-W426 WeakPolarHBondContact O-CB 3.28Å; N423-W426 PolarHBondContact O-N 3.38Å; N423-K431 WeakPolarHBondContact O-CE 3.39Å
424	K	80.3	Confident	86	Confident	156 Å²	156	59.2 Å²	59.2	68%	0.678	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.4	-178.7	-64.9	-173.4	175.7	-176	0	113	L422 W426 K431	L422-K424 PolarHBondContact O-N 2.9Å; K424-W426 VanDerWaalsContact C-N 3.28Å; K424-W426 PolarHBondContact O-N 3.26Å; K424-K431 WeakPolarHBondContact O-CE 3.37Å; K424-K431 PolarHBondContact O-NZ 2.93Å
425	N	83.5	Confident	84.9	Confident	147 Å²	147	59 Å²	59	79%	0.786	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-2.8	-177.5	-56.6	-7.7	0	0	0	113	N423	N423-N425 PolarHBondContact O-N 3.07Å; N423-N425 VanDerWaalsContact O-N 3.16Å; N423-N425 WeakPolarHBondContact OD1-CB 3.48Å; N423-N425 PolarHBondContact OD1-N 3.43Å
426	W	81.4	Confident	84	Confident	30 Å²	30	64.6 Å²	64.6	11%	0.114	30%	0.302	C	S	.	.	S	Bend	trans	-70.3	143	174.5	-73.6	-1.5	0	0	0	111.2	A18 F400 L422 N423 K424 K430 K431 Y434	A18-W426 HydrophobicContact CB-CZ2 4.46Å; F400-W426 HydrophobicContact CD1-CH2 4.14Å; F400-W426 HydrophobicContact CD1-CZ2 4.31Å; F400-W426 AromaticContact CE1-CH2 3.88Å; F400-W426 HydrophobicContact CE1-CH2 3.88Å; F400-W426 AromaticContact CE1-CZ2 3.65Å; F400-W426 HydrophobicContact CE1-CZ2 3.65Å; F400-W426 HydrophobicContact CZ-CH2 4.32Å; F400-W426 HydrophobicContact CZ-CZ2 4.1Å; L422-W426 HydrophobicContact CD2-CE3 4.14Å; L422-W426 HydrophobicContact CD2-CZ3 3.85Å; N423-W426 HydrophobicContact CB-CD2 3.82Å; N423-W426 HydrophobicContact CB-CG 3.86Å; N423-W426 HydrophobicContact CB-CZ2 4.2Å; N423-W426 WeakPolarHBondContact O-CB 3.28Å; N423-W426 PolarHBondContact O-N 3.38Å; K424-W426 VanDerWaalsContact C-N 3.28Å; K424-W426 PolarHBondContact O-N 3.26Å; W426-K430 HydrophobicContact CB-CB 4.33Å; W426-K430 HydrophobicContact CB-CD 4.11Å; W426-K430 HydrophobicContact CB-CG 4.36Å; W426-K430 HydrophobicContact CD2-CD 3.77Å; W426-K430 HydrophobicContact CD2-CG 4.01Å; W426-K430 HydrophobicContact CE3-CD 4.24Å; W426-K430 HydrophobicContact CE3-CG 3.95Å; W426-K430 HydrophobicContact CG-CD 3.7Å; W426-K430 HydrophobicContact CG-CG 4.21Å; W426-K431 HydrophobicContact CB-CG 3.92Å; W426-K431 VanDerWaalsContact O-CE 3.27Å; W426-K431 WeakPolarHBondContact O-CE 3.25Å; W426-Y434 HydrophobicContact CH2-CD2 4.13Å; W426-Y434 HydrophobicContact CH2-CE2 4.45Å; W426-Y434 AromaticContact CZ3-CD2 3.79Å; W426-Y434 HydrophobicContact CZ3-CD2 3.79Å; W426-Y434 HydrophobicContact CZ3-CE2 4.45Å; W426-Y434 HydrophobicContact CZ3-CG 4.19Å
427	R	85.8	Confident	82.9	Confident	141 Å²	141	69.3 Å²	69.3	53%	0.532	32%	0.322	S	S	.	.			trans	-59.5	149.3	169.4	-58.2	-170.4	-63.3	-102.7	-0.6	110	E14 E429 K430 K431	E14-R427 IonicContact OE1-CZ 2.72Å; E14-R427 VanDerWaalsContact OE1-CZ 3.27Å; E14-R427 IonicContact OE1-NH1 2.88Å; E14-R427 PolarHBondContact OE1-NH1 2.91Å; E14-R427 IonicContact OE1-NH2 2.71Å; E14-R427 PolarHBondContact OE1-NH2 2.97Å; E14-R427 IonicContact OE2-NH2 2.8Å; E14-R427 PolarHBondContact OE2-NH2 2.8Å; R427-E429 VanDerWaalsContact C-N 3.29Å; R427-E429 PolarHBondContact O-N 2.99Å; R427-K430 WeakPolarHBondContact O-CA 3.45Å; R427-K430 WeakPolarHBondContact O-CB 3.44Å; R427-K430 PolarHBondContact O-N 3.04Å; R427-K431 PolarHBondContact O-N 3.4Å; R427-K431 VanDerWaalsContact O-N 3.11Å
428	D	84	Confident	81.8	Confident	127 Å²	127	69.5 Å²	69.5	68%	0.679	32%	0.324	S	S	*	.	H	α-helix	trans	-57.3	-39.5	-177.1	-64.1	-31.4	0	0	0	112.9	K430 K431 E432	D428-K430 PolarHBondContact O-N 3.34Å; D428-K431 PolarHBondContact O-N 3.07Å; D428-K431 VanDerWaalsContact O-N 3.14Å; D428-E432 WeakPolarHBondContact O-CB 3.34Å; D428-E432 PolarHBondContact O-N 3.28Å
429	E	82.4	Confident	81	Confident	92 Å²	92	69.7 Å²	69.7	43%	0.43	33%	0.328	S	S	.	.	H	α-helix	trans	-55.7	-39.7	174.7	-173	-170.5	175.2	0	0	111.9	R11 R427 N433	R11-E429 IonicContact NH2-OE1 3.52Å; R11-E429 PolarHBondContact NH2-OE1 3.33Å; R427-E429 VanDerWaalsContact C-N 3.29Å; R427-E429 PolarHBondContact O-N 2.99Å; E429-N433 WeakPolarHBondContact O-CB 3.41Å; E429-N433 PolarHBondContact O-N 2.94Å; E429-N433 PolarHBondContact O-ND2 2.72Å
430	K	77.4	Confident	80.3	Confident	49 Å²	49	73.3 Å²	73.3	21%	0.213	34%	0.341	C	S	.	.	H	α-helix	trans	-73.4	-39.4	179.9	-173.6	174.5	-179.1	176.3	0	111.5	W426 R427 D428 N433 Y434	W426-K430 HydrophobicContact CB-CB 4.33Å; W426-K430 HydrophobicContact CB-CD 4.11Å; W426-K430 HydrophobicContact CB-CG 4.36Å; W426-K430 HydrophobicContact CD2-CD 3.77Å; W426-K430 HydrophobicContact CD2-CG 4.01Å; W426-K430 HydrophobicContact CE3-CD 4.24Å; W426-K430 HydrophobicContact CE3-CG 3.95Å; W426-K430 HydrophobicContact CG-CD 3.7Å; W426-K430 HydrophobicContact CG-CG 4.21Å; R427-K430 WeakPolarHBondContact O-CA 3.45Å; R427-K430 WeakPolarHBondContact O-CB 3.44Å; R427-K430 PolarHBondContact O-N 3.04Å; D428-K430 PolarHBondContact O-N 3.34Å; K430-N433 PolarHBondContact O-N 3.43Å; K430-Y434 PolarHBondContact O-N 2.9Å
431	K	78.7	Confident	79.8	Confident	29 Å²	29	74.3 Å²	74.3	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-62.9	-44.8	173.5	-66.2	-177.4	176.1	-173.8	0	110.9	N423 K424 W426 R427 D428 Y434 H435 D465	N423-K431 WeakPolarHBondContact O-CE 3.39Å; K424-K431 WeakPolarHBondContact O-CE 3.37Å; K424-K431 PolarHBondContact O-NZ 2.93Å; W426-K431 HydrophobicContact CB-CG 3.92Å; W426-K431 VanDerWaalsContact O-CE 3.27Å; W426-K431 WeakPolarHBondContact O-CE 3.25Å; R427-K431 PolarHBondContact O-N 3.4Å; R427-K431 VanDerWaalsContact O-N 3.11Å; D428-K431 PolarHBondContact O-N 3.07Å; D428-K431 VanDerWaalsContact O-N 3.14Å; K431-Y434 PolarHBondContact O-N 3.43Å; K431-H435 PolarHBondContact O-N 2.83Å; K431-D465 WeakPolarHBondContact CD-OD1 3.41Å; K431-D465 WeakPolarHBondContact CE-OD1 3.49Å; K431-D465 VanDerWaalsContact NZ-CG 3.34Å; K431-D465 IonicContact NZ-OD1 3.15Å; K431-D465 PolarHBondContact NZ-OD1 2.86Å; K431-D465 IonicContact NZ-OD2 3.61Å; K431-D465 PolarHBondContact NZ-OD2 2.88Å; K431-D465 VanDerWaalsContact NZ-OD2 3.15Å
432	E	79.4	Confident	79.7	Confident	106 Å²	106	74.3 Å²	74.3	50%	0.495	34%	0.344	S	S	.	.	H	α-helix	trans	-62.9	-43.9	177.9	-165.6	-169.5	155.9	0	0	111.5	D428 Y434 H435 K436	D428-E432 WeakPolarHBondContact O-CB 3.34Å; D428-E432 PolarHBondContact O-N 3.28Å; E432-Y434 VanDerWaalsContact C-N 3.35Å; E432-Y434 PolarHBondContact O-N 3.43Å; E432-H435 PolarHBondContact O-N 2.86Å; E432-K436 WeakPolarHBondContact O-CG 3.32Å; E432-K436 PolarHBondContact O-N 3.47Å; E432-K436 WeakPolarHBondContact OE1-CE 3.42Å; E432-K436 IonicContact OE1-NZ 3.66Å; E432-K436 PolarHBondContact OE1-NZ 2.92Å
433	N	77.4	Confident	79.7	Confident	71 Å²	71	82.6 Å²	82.6	38%	0.38	37%	0.374	S	S	.	.	H	α-helix	trans	-60.8	-42.9	174.9	-74.6	-25	0	0	0	111.9	E429 K430 K436 H437	E429-N433 WeakPolarHBondContact O-CB 3.41Å; E429-N433 PolarHBondContact O-N 2.94Å; E429-N433 PolarHBondContact O-ND2 2.72Å; K430-N433 PolarHBondContact O-N 3.43Å; N433-K436 PolarHBondContact O-N 3.39Å; N433-H437 PolarHBondContact O-CD2 2.98Å; N433-H437 PolarHBondContact O-N 2.98Å
434	Y	75.9	Confident	79.9	Confident	50 Å²	50	80 Å²	80	20%	0.196	36%	0.36	C	S	.	.	H	α-helix	trans	-63.8	-42.4	175	-169.3	-77.1	0	0	0	111.7	L422 W426 K430 K431 E432 K436 H437 A438 F467	L422-Y434 HydrophobicContact CD2-CD1 3.28Å; L422-Y434 HydrophobicContact CD2-CD2 4.19Å; L422-Y434 HydrophobicContact CD2-CE1 3.94Å; L422-Y434 HydrophobicContact CD2-CG 3.42Å; L422-Y434 VanDerWaalsContact CD2-CG 3.42Å; L422-Y434 HydrophobicContact CG-CD1 4.28Å; W426-Y434 HydrophobicContact CH2-CD2 4.13Å; W426-Y434 HydrophobicContact CH2-CE2 4.45Å; W426-Y434 AromaticContact CZ3-CD2 3.79Å; W426-Y434 HydrophobicContact CZ3-CD2 3.79Å; W426-Y434 HydrophobicContact CZ3-CE2 4.45Å; W426-Y434 HydrophobicContact CZ3-CG 4.19Å; K430-Y434 PolarHBondContact O-N 2.9Å; K431-Y434 PolarHBondContact O-N 3.43Å; E432-Y434 VanDerWaalsContact C-N 3.35Å; E432-Y434 PolarHBondContact O-N 3.43Å; Y434-K436 VanDerWaalsContact C-N 3.33Å; Y434-K436 PolarHBondContact O-N 2.93Å; Y434-H437 WeakPolarHBondContact O-CB 3.43Å; Y434-H437 PolarHBondContact O-N 3.19Å; Y434-H437 VanDerWaalsContact O-N 3.14Å; Y434-A438 PolarHBondContact O-N 3.18Å; Y434-F467 HydrophobicContact CD1-CE1 4.22Å; Y434-F467 AromaticContact CE1-CE1 3.89Å; Y434-F467 HydrophobicContact CE1-CE1 3.89Å; Y434-F467 AromaticContact CE1-CZ 3.97Å; Y434-F467 HydrophobicContact CE1-CZ 3.97Å
435	H	76.2	Confident	80.5	Confident	67 Å²	67	72.8 Å²	72.8	31%	0.31	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-42.9	176.5	-160	85.6	0	0	0	111.2	K431 E432 H437 A438 C439 Y459	K431-H435 PolarHBondContact O-N 2.83Å; E432-H435 PolarHBondContact O-N 2.86Å; H435-H437 VanDerWaalsContact C-N 3.33Å; H435-H437 PolarHBondContact O-N 3.4Å; H435-A438 PolarHBondContact O-N 3.35Å; H435-C439 VanDerWaalsContact CD2-SG 3.55Å; H435-C439 WeakPolarHBondContact O-CB 3.34Å; H435-C439 PolarHBondContact O-N 2.96Å; H435-C439 PolarHBondContact O-SG 2.87Å; H435-C439 VanDerWaalsContact O-SG 3.34Å; H435-Y459 PolarHBondContact CE1-OH 2.71Å; H435-Y459 VanDerWaalsContact CE1-OH 3.3Å
436	K	78	Confident	80.8	Confident	117 Å²	117	69.7 Å²	69.7	51%	0.509	31%	0.309	S	S	.	.	H	α-helix	trans	-58	-43.7	172.7	-73.4	171.1	-177.1	163.1	0	111.9	E432 N433 Y434 R440	E432-K436 WeakPolarHBondContact O-CG 3.32Å; E432-K436 PolarHBondContact O-N 3.47Å; E432-K436 WeakPolarHBondContact OE1-CE 3.42Å; E432-K436 IonicContact OE1-NZ 3.66Å; E432-K436 PolarHBondContact OE1-NZ 2.92Å; N433-K436 PolarHBondContact O-N 3.39Å; Y434-K436 VanDerWaalsContact C-N 3.33Å; Y434-K436 PolarHBondContact O-N 2.93Å; K436-R440 WeakPolarHBondContact O-CB 3.48Å; K436-R440 PolarHBondContact O-N 3.05Å
437	H	74.8	Confident	81.1	Confident	109 Å²	109	75.4 Å²	75.4	51%	0.505	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-44.2	175.9	-76	-62.5	0	0	0	112.5	N433 Y434 H435 R440 E441	N433-H437 PolarHBondContact O-CD2 2.98Å; N433-H437 PolarHBondContact O-N 2.98Å; Y434-H437 WeakPolarHBondContact O-CB 3.43Å; Y434-H437 PolarHBondContact O-N 3.19Å; Y434-H437 VanDerWaalsContact O-N 3.14Å; H435-H437 VanDerWaalsContact C-N 3.33Å; H435-H437 PolarHBondContact O-N 3.4Å; H437-R440 WeakPolarHBondContact O-CB 3.44Å; H437-R440 PolarHBondContact O-N 3.06Å; H437-E441 PolarHBondContact O-N 3.17Å
438	A	74.9	Confident	81.5	Confident	4 Å²	4	69.1 Å²	69.1	3%	0.033	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-42.1	178	0	0	0	0	0	113	Y434 H435 R440 E441 Y442 F467	Y434-A438 PolarHBondContact O-N 3.18Å; H435-A438 PolarHBondContact O-N 3.35Å; A438-R440 VanDerWaalsContact C-N 3.25Å; A438-R440 PolarHBondContact O-N 3.29Å; A438-E441 WeakPolarHBondContact O-CB 3.42Å; A438-E441 PolarHBondContact O-N 3.1Å; A438-Y442 PolarHBondContact O-N 2.8Å; A438-F467 HydrophobicContact CB-CE1 3.75Å; A438-F467 HydrophobicContact CB-CE2 3.58Å; A438-F467 HydrophobicContact CB-CZ 3.09Å
439	C	78.1	Confident	82.1	Confident	28 Å²	28	68 Å²	68	19%	0.189	31%	0.307	C	S	.	.	H	α-helix	trans	-62.9	-34.9	173.4	-70.7	0	0	0	0	111.6	H435 Y442 R443	H435-C439 VanDerWaalsContact CD2-SG 3.55Å; H435-C439 WeakPolarHBondContact O-CB 3.34Å; H435-C439 PolarHBondContact O-N 2.96Å; H435-C439 PolarHBondContact O-SG 2.87Å; H435-C439 VanDerWaalsContact O-SG 3.34Å; C439-Y442 PolarHBondContact O-N 3.24Å; C439-R443 WeakPolarHBondContact O-CB 3.47Å; C439-R443 VanDerWaalsContact O-CG 3.24Å; C439-R443 WeakPolarHBondContact O-CG 3.38Å; C439-R443 PolarHBondContact O-N 2.9Å
440	R	78.1	Confident	82.8	Confident	76 Å²	76	65.1 Å²	65.1	29%	0.287	29%	0.294	S	S	.	.	H	α-helix	trans	-66	-46	173.3	-179.1	176.6	-179.6	-113.7	8.8	111.6	K436 H437 A438 Y442 R443 I444 S544	K436-R440 WeakPolarHBondContact O-CB 3.48Å; K436-R440 PolarHBondContact O-N 3.05Å; H437-R440 WeakPolarHBondContact O-CB 3.44Å; H437-R440 PolarHBondContact O-N 3.06Å; A438-R440 VanDerWaalsContact C-N 3.25Å; A438-R440 PolarHBondContact O-N 3.29Å; R440-Y442 VanDerWaalsContact C-N 3.31Å; R440-Y442 PolarHBondContact O-N 3.4Å; R440-R443 PolarHBondContact O-N 2.95Å; R440-I444 HydrophobicContact CG-CD1 3.92Å; R440-I444 WeakPolarHBondContact O-CB 3.42Å; R440-I444 WeakPolarHBondContact O-CG1 3.39Å; R440-I444 PolarHBondContact O-N 2.85Å; R440-S544 PolarHBondContact NH1-O 3.41Å
441	E	80.4	Confident	83.8	Confident	24 Å²	24	66.5 Å²	66.5	11%	0.112	31%	0.308	C	S	.	.	H	α-helix	trans	-54.4	-49	172.6	176.9	-179.6	174.8	0	0	110.6	K418 H437 A438 R443 I444 H445 F541 G542	K418-E441 IonicContact NZ-OE1 3.68Å; K418-E441 PolarHBondContact NZ-OE1 2.9Å; H437-E441 PolarHBondContact O-N 3.17Å; A438-E441 WeakPolarHBondContact O-CB 3.42Å; A438-E441 PolarHBondContact O-N 3.1Å; E441-R443 PolarHBondContact O-N 2.74Å; E441-I444 PolarHBondContact O-N 2.8Å; E441-H445 VanDerWaalsContact O-CB 3.25Å; E441-H445 WeakPolarHBondContact O-CB 3.36Å; E441-H445 PolarHBondContact O-N 3.46Å; E441-F541 HydrophobicContact CG-CB 4.47Å; E441-G542 VanDerWaalsContact OE2-CA 3.24Å; E441-G542 WeakPolarHBondContact OE2-CA 3.09Å
442	Y	84.2	Confident	84.7	Confident	60 Å²	60	67 Å²	67	24%	0.235	31%	0.309	C	S	.	.	H	α-helix	trans	-57.2	-51.5	176.6	170.2	-102.8	0	0	0	112.3	A438 C439 R440 I444 H445 K446 L456 Y459	A438-Y442 PolarHBondContact O-N 2.8Å; C439-Y442 PolarHBondContact O-N 3.24Å; R440-Y442 VanDerWaalsContact C-N 3.31Å; R440-Y442 PolarHBondContact O-N 3.4Å; Y442-I444 VanDerWaalsContact C-N 3.34Å; Y442-I444 PolarHBondContact O-N 3.48Å; Y442-H445 PolarHBondContact O-N 3.25Å; Y442-K446 HydrophobicContact CE2-CB 4.27Å; Y442-K446 HydrophobicContact CE2-CD 4.14Å; Y442-K446 HydrophobicContact CE2-CG 4.33Å; Y442-K446 WeakPolarHBondContact O-CB 3.38Å; Y442-K446 PolarHBondContact O-N 2.81Å; Y442-L456 HydrophobicContact CD2-CD2 3.36Å; Y442-L456 HydrophobicContact CD2-CG 4.31Å; Y442-L456 HydrophobicContact CE2-CD2 3.8Å; Y442-L456 HydrophobicContact CE2-CG 4.46Å; Y442-L456 HydrophobicContact CG-CD2 4.26Å; Y442-Y459 HydrophobicContact CD2-CD2 4.11Å; Y442-Y459 AromaticContact CD2-CG 3.87Å; Y442-Y459 HydrophobicContact CD2-CG 3.87Å; Y442-Y459 HydrophobicContact CE2-CG 4.16Å; Y442-Y459 HydrophobicContact CG-CD2 4.2Å; Y442-Y459 HydrophobicContact CG-CG 4.12Å
443	R	83.1	Confident	85.6	Confident	186 Å²	186	62 Å²	62	70%	0.702	29%	0.285	S	S	*	.	H	α-helix	trans	-61.4	-42	-178.4	-74.7	172.2	-174.3	177	2.1	112.3	C439 R440 E441	C439-R443 WeakPolarHBondContact O-CB 3.47Å; C439-R443 VanDerWaalsContact O-CG 3.24Å; C439-R443 WeakPolarHBondContact O-CG 3.38Å; C439-R443 PolarHBondContact O-N 2.9Å; R440-R443 PolarHBondContact O-N 2.95Å; E441-R443 PolarHBondContact O-N 2.74Å
444	I	84.4	Confident	86.6	Confident	11 Å²	11	58.6 Å²	58.6	6%	0.056	27%	0.268	C	S	.	.	H	α-helix	trans	-60.5	-55.1	175.2	-73.7	166.4	0	0	0	109.6	R440 E441 Y442 K446 L448 I515 F541 I546	R440-I444 HydrophobicContact CG-CD1 3.92Å; R440-I444 WeakPolarHBondContact O-CB 3.42Å; R440-I444 WeakPolarHBondContact O-CG1 3.39Å; R440-I444 PolarHBondContact O-N 2.85Å; E441-I444 PolarHBondContact O-N 2.8Å; Y442-I444 VanDerWaalsContact C-N 3.34Å; Y442-I444 PolarHBondContact O-N 3.48Å; I444-K446 PolarHBondContact O-N 3.27Å; I444-L448 HydrophobicContact CG2-CD1 4.43Å; I444-L448 WeakPolarHBondContact O-CG 3.01Å; I444-I515 HydrophobicContact CB-CD1 4.48Å; I444-I515 HydrophobicContact CG2-CD1 3.57Å; I444-I515 HydrophobicContact CG2-CG2 4.32Å; I444-F541 HydrophobicContact CG2-CB 4.46Å; I444-F541 HydrophobicContact CG2-CD1 4.42Å; I444-I546 HydrophobicContact CD1-CD1 3.79Å; I444-I546 HydrophobicContact CD1-CG1 3.61Å; I444-I546 HydrophobicContact CG1-CD1 3.64Å; I444-I546 HydrophobicContact CG1-CG1 3.76Å
445	H	91.4	Very high	87.5	Confident	5 Å²	5	59.8 Å²	59.8	2%	0.023	27%	0.274	C	S	.	.	H	α-helix	trans	-76.2	-26.6	-166.8	-169.1	-174.3	0	0	0	112.6	E441 Y442 E447 L448 V454 L456 F541	E441-H445 VanDerWaalsContact O-CB 3.25Å; E441-H445 WeakPolarHBondContact O-CB 3.36Å; E441-H445 PolarHBondContact O-N 3.46Å; Y442-H445 PolarHBondContact O-N 3.25Å; H445-E447 VanDerWaalsContact C-N 3.29Å; H445-E447 PolarHBondContact O-N 2.88Å; H445-L448 PolarHBondContact O-N 3.16Å; H445-V454 PolarHBondContact NE2-O 3.22Å; H445-L456 HydrophobicContact CB-CB 4.43Å; H445-L456 HydrophobicContact CB-CD2 3.97Å; H445-F541 HydrophobicContact CB-CB 4.43Å; H445-F541 HydrophobicContact CB-CD2 4.24Å; H445-F541 HydrophobicContact CB-CG 4.48Å; H445-F541 AromaticContact CD2-CD2 3.7Å; H445-F541 AromaticContact CD2-CE2 3.74Å; H445-F541 AromaticContact CE1-CD2 3.7Å; H445-F541 AromaticContact CE1-CE2 3.95Å; H445-F541 AromaticContact CG-CD2 3.64Å; H445-F541 AromaticContact ND1-CD2 3.65Å; H445-F541 AromaticContact NE2-CD2 3.73Å; H445-F541 AromaticContact NE2-CE2 3.59Å
446	K	90.3	Very high	88.4	Confident	81 Å²	81	57.1 Å²	57.1	35%	0.352	26%	0.262	S	S	.	.	H	α-helix	trans	-62.2	-34.9	178.9	-174.3	59.3	176.9	174.8	0	113.3	Y442 I444 L448 L456 Y457	Y442-K446 HydrophobicContact CE2-CB 4.27Å; Y442-K446 HydrophobicContact CE2-CD 4.14Å; Y442-K446 HydrophobicContact CE2-CG 4.33Å; Y442-K446 WeakPolarHBondContact O-CB 3.38Å; Y442-K446 PolarHBondContact O-N 2.81Å; I444-K446 PolarHBondContact O-N 3.27Å; K446-L448 VanDerWaalsContact C-N 3.35Å; K446-L456 HydrophobicContact CB-CD2 4.1Å; K446-Y457 PolarHBondContact NZ-O 2.85Å
447	E	88.7	Confident	89.3	Confident	151 Å²	151	54 Å²	54	71%	0.706	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.6	-178.3	-59.6	-58.1	139.1	0	0	113	H445 D449	H445-E447 VanDerWaalsContact C-N 3.29Å; H445-E447 PolarHBondContact O-N 2.88Å; E447-D449 PolarHBondContact O-N 3.26Å
448	L	94.6	Very high	90.2	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.047	23%	0.232	C	C	.	.			trans	-80.5	120.6	-179.1	-54	-178.1	0	0	0	110.9	I444 H445 K446 I453 Y507 L508 I511 I515 F541	I444-L448 HydrophobicContact CG2-CD1 4.43Å; I444-L448 WeakPolarHBondContact O-CG 3.01Å; H445-L448 PolarHBondContact O-N 3.16Å; K446-L448 VanDerWaalsContact C-N 3.35Å; L448-I453 HydrophobicContact CB-CG2 4.31Å; L448-I453 HydrophobicContact CD1-CD1 4.43Å; L448-I453 HydrophobicContact CD1-CG2 4.29Å; L448-Y507 HydrophobicContact CB-CE1 4.35Å; L448-Y507 HydrophobicContact CD2-CE1 4.05Å; L448-L508 HydrophobicContact CD1-CD2 3.83Å; L448-L508 HydrophobicContact CD2-CD2 3.88Å; L448-L508 HydrophobicContact CG-CD2 4.5Å; L448-I511 HydrophobicContact CD2-CD1 3.45Å; L448-I511 VanDerWaalsContact CD2-CD1 3.45Å; L448-I515 HydrophobicContact CD2-CD1 4.17Å; L448-F541 HydrophobicContact CD1-CD1 3.97Å; L448-F541 HydrophobicContact CD1-CD2 4.36Å; L448-F541 HydrophobicContact CD1-CE1 3.52Å; L448-F541 HydrophobicContact CD1-CE2 3.97Å; L448-F541 HydrophobicContact CD1-CG 4.38Å; L448-F541 HydrophobicContact CD1-CZ 3.53Å
449	D	95.6	Very high	91	Very high	103 Å²	103	52.4 Å²	52.4	55%	0.551	24%	0.239	S	C	*	.			trans	-131.1	95.9	172.6	-169.2	19.4	0	0	0	110.6	E447 K455 Y507	E447-D449 PolarHBondContact O-N 3.26Å; D449-K455 WeakPolarHBondContact OD1-CE 3.21Å; D449-K455 IonicContact OD1-NZ 2.97Å; D449-K455 PolarHBondContact OD1-NZ 2.93Å; D449-K455 IonicContact OD2-NZ 3.55Å; D449-Y507 PolarHBondContact N-OH 3.24Å
450	H	97.9	Very high	91.7	Very high	32 Å²	32	52 Å²	52	15%	0.148	23%	0.234	C	C	.	.			trans	-148.1	140	178.2	-176.5	-95.5	0	0	0	110.3	R452 I453 Y507	H450-R452 PolarHBondContact ND1-N 3.36Å; H450-R452 VanDerWaalsContact ND1-N 3.1Å; H450-R452 PolarHBondContact O-N 2.93Å; H450-I453 HydrophobicContact CB-CB 4.3Å; H450-I453 HydrophobicContact CB-CD1 3.98Å; H450-I453 HydrophobicContact CB-CG1 4.07Å; H450-I453 PolarHBondContact O-N 3.04Å; H450-I453 VanDerWaalsContact O-O 3.1Å; H450-Y507 HydrophobicContact CB-CD1 3.69Å; H450-Y507 HydrophobicContact CB-CD2 4.27Å; H450-Y507 HydrophobicContact CB-CE1 3.84Å; H450-Y507 HydrophobicContact CB-CE2 4.41Å; H450-Y507 HydrophobicContact CB-CG 3.91Å; H450-Y507 AromaticContact CD2-CG 3.76Å; H450-Y507 AromaticContact CG-CG 3.92Å
451	P	97.5	Very high	92.3	Very high	77 Å²	77	51.7 Å²	51.7	50%	0.5	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.4	-176.5	22.7	-35.6	0	0	0	114.5	K537	P451-K537 WeakPolarHBondContact O-CE 3.34Å; P451-K537 WeakPolarHBondContact O-CG 3.1Å; P451-K537 PolarHBondContact O-NZ 3.48Å
452	R	98.2	Very high	92.7	Very high	39 Å²	39	53.5 Å²	53.5	15%	0.147	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	11.9	177.8	-49.4	-60.4	154.8	-136.2	6.9	113.9	H450 Q500 A504 E535 I536 K537 I538	H450-R452 PolarHBondContact ND1-N 3.36Å; H450-R452 VanDerWaalsContact ND1-N 3.1Å; H450-R452 PolarHBondContact O-N 2.93Å; R452-Q500 HydrophobicContact CG-CB 4.37Å; R452-A504 HydrophobicContact CB-CB 3.92Å; R452-E535 IonicContact CZ-OE1 3.78Å; R452-E535 IonicContact CZ-OE2 2.76Å; R452-E535 IonicContact NH1-OE1 3.79Å; R452-E535 PolarHBondContact NH1-OE1 3.27Å; R452-E535 IonicContact NH1-OE2 3.43Å; R452-E535 PolarHBondContact NH1-OE2 3.03Å; R452-E535 VanDerWaalsContact NH2-CD 3.28Å; R452-E535 IonicContact NH2-OE1 2.74Å; R452-E535 PolarHBondContact NH2-OE1 3.19Å; R452-E535 IonicContact NH2-OE2 2.59Å; R452-I536 WeakPolarHBondContact CD-O 3.28Å; R452-K537 CarbonylContact O-C 3.54Å; R452-K537 WeakPolarHBondContact O-CA 3.45Å; R452-I538 WeakPolarHBondContact O-CG1 3.46Å; R452-I538 PolarHBondContact O-N 2.79Å
453	I	98.1	Very high	92.8	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-120.2	137.9	173.2	-60.7	179.8	0	0	0	107.8	L448 H450 A504 Y507 L508 K537 I538 F541	L448-I453 HydrophobicContact CB-CG2 4.31Å; L448-I453 HydrophobicContact CD1-CD1 4.43Å; L448-I453 HydrophobicContact CD1-CG2 4.29Å; H450-I453 HydrophobicContact CB-CB 4.3Å; H450-I453 HydrophobicContact CB-CD1 3.98Å; H450-I453 HydrophobicContact CB-CG1 4.07Å; H450-I453 PolarHBondContact O-N 3.04Å; H450-I453 VanDerWaalsContact O-O 3.1Å; I453-A504 HydrophobicContact CG1-CB 4.08Å; I453-Y507 HydrophobicContact CD1-CD1 3.59Å; I453-Y507 HydrophobicContact CD1-CE1 3.85Å; I453-L508 HydrophobicContact CD1-CD2 3.79Å; I453-L508 HydrophobicContact CD1-CG 4.05Å; I453-K537 PolarHBondContact O-NZ 3.28Å; I453-I538 HydrophobicContact CB-CG1 4.42Å; I453-I538 HydrophobicContact CD1-CD1 4.48Å; I453-I538 HydrophobicContact CG1-CD1 4.04Å; I453-I538 HydrophobicContact CG1-CG1 3.77Å; I453-F541 HydrophobicContact CD1-CZ 4.35Å; I453-F541 HydrophobicContact CG2-CE2 3.71Å; I453-F541 HydrophobicContact CG2-CZ 3.65Å
454	V	97.3	Very high	92.7	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.27	C	S	.	.			trans	-64.2	131.7	172.3	169.4	0	0	0	0	108.8	H445 L471 E472 L526 K537 I538	H445-V454 PolarHBondContact NE2-O 3.22Å; V454-L471 HydrophobicContact CG1-CB 4.04Å; V454-L471 HydrophobicContact CG1-CD2 4.21Å; V454-E472 HydrophobicContact CG1-CB 3.99Å; V454-L526 HydrophobicContact CG2-CD1 3.75Å; V454-K537 HydrophobicContact CG2-CB 3.78Å; V454-K537 HydrophobicContact CG2-CD 4.49Å; V454-I538 PolarHBondContact N-O 2.93Å
455	K	96.3	Very high	92.6	Very high	75 Å²	75	53.1 Å²	53.1	33%	0.326	27%	0.274	S	S	.	.			trans	-75.8	142.7	177.1	-62.6	-169.7	174.6	-153	0	112.4	D449 Y457 L471 E472	D449-K455 WeakPolarHBondContact OD1-CE 3.21Å; D449-K455 IonicContact OD1-NZ 2.97Å; D449-K455 PolarHBondContact OD1-NZ 2.93Å; D449-K455 IonicContact OD2-NZ 3.55Å; K455-Y457 HydrophobicContact CB-CD1 4.21Å; K455-Y457 HydrophobicContact CB-CE1 3.69Å; K455-Y457 HydrophobicContact CD-CE1 4.19Å; K455-L471 CarbonylContact O-C 3.56Å; K455-L471 WeakPolarHBondContact O-CA 3.33Å; K455-E472 HydrophobicContact CB-CB 4.15Å; K455-E472 PolarHBondContact N-OE2 2.82Å; K455-E472 PolarHBondContact O-N 3.34Å
456	L	95.6	Very high	92.5	Very high	10 Å²	10	53.2 Å²	53.2	5%	0.052	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	111.9	167.7	-178.3	68	0	0	0	110	Y442 H445 K446 T469 L471	Y442-L456 HydrophobicContact CD2-CD2 3.36Å; Y442-L456 HydrophobicContact CD2-CG 4.31Å; Y442-L456 HydrophobicContact CE2-CD2 3.8Å; Y442-L456 HydrophobicContact CE2-CG 4.46Å; Y442-L456 HydrophobicContact CG-CD2 4.26Å; H445-L456 HydrophobicContact CB-CB 4.43Å; H445-L456 HydrophobicContact CB-CD2 3.97Å; K446-L456 HydrophobicContact CB-CD2 4.1Å; L456-T469 HydrophobicContact CD1-CG2 4.24Å; L456-L471 HydrophobicContact CB-CD2 4.42Å; L456-L471 HydrophobicContact CD1-CD2 3.68Å; L456-L471 HydrophobicContact CD1-CG 4.4Å
457	Y	95.2	Very high	92.5	Very high	52 Å²	52	49.5 Å²	49.5	20%	0.204	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-46.3	-177.4	-63.3	-38.9	0	0	0	112.8	R413 V415 K446 K455 V470 E472	R413-Y457 VanDerWaalsContact CZ-CZ 3.48Å; R413-Y457 VanDerWaalsContact NH1-CZ 3.27Å; R413-Y457 PolarHBondContact NH1-OH 3.28Å; V415-Y457 HydrophobicContact CG1-CD2 3.91Å; V415-Y457 HydrophobicContact CG1-CE2 4.12Å; K446-Y457 PolarHBondContact NZ-O 2.85Å; K455-Y457 HydrophobicContact CB-CD1 4.21Å; K455-Y457 HydrophobicContact CB-CE1 3.69Å; K455-Y457 HydrophobicContact CD-CE1 4.19Å; Y457-V470 PolarHBondContact N-O 2.94Å; Y457-E472 HydrophobicContact CE2-CB 4.05Å
458	D	94.1	Very high	92.7	Very high	36 Å²	36	42.3 Å²	42.3	19%	0.193	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	162.2	-169.9	-159.3	12	0	0	0	113	Y389 V470	Y389-D458 WeakPolarHBondContact CE2-OD2 3.25Å; Y389-D458 VanDerWaalsContact OH-CB 3.24Å; Y389-D458 WeakPolarHBondContact OH-CB 3.38Å; Y389-D458 VanDerWaalsContact OH-CG 3.29Å; Y389-D458 PolarHBondContact OH-OD2 3.12Å; D458-V470 HydrophobicContact CB-CB 3.86Å; D458-V470 HydrophobicContact CB-CG2 3.88Å; D458-V470 PolarHBondContact N-O 3.42Å; D458-V470 PolarHBondContact O-N 3.43Å
459	Y	92.3	Very high	92.6	Very high	44 Å²	44	42.1 Å²	42.1	17%	0.173	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	133.6	174	169.6	-85.4	0	0	0	110.2	H435 Y442 F467 C468 T469	H435-Y459 PolarHBondContact CE1-OH 2.71Å; H435-Y459 VanDerWaalsContact CE1-OH 3.3Å; Y442-Y459 HydrophobicContact CD2-CD2 4.11Å; Y442-Y459 AromaticContact CD2-CG 3.87Å; Y442-Y459 HydrophobicContact CD2-CG 3.87Å; Y442-Y459 HydrophobicContact CE2-CG 4.16Å; Y442-Y459 HydrophobicContact CG-CD2 4.2Å; Y442-Y459 HydrophobicContact CG-CG 4.12Å; Y459-F467 HydrophobicContact CD2-CD2 4.19Å; Y459-F467 HydrophobicContact CE2-CB 4.23Å; Y459-F467 AromaticContact CE2-CD2 3.43Å; Y459-F467 HydrophobicContact CE2-CD2 3.43Å; Y459-F467 VanDerWaalsContact CE2-CD2 3.43Å; Y459-F467 HydrophobicContact CE2-CE2 4.09Å; Y459-F467 HydrophobicContact CE2-CG 4.02Å; Y459-C468 WeakPolarHBondContact CA-O 3.2Å; Y459-T469 HydrophobicContact CD2-CG2 3.94Å
460	F	92.4	Very high	92.6	Very high	19 Å²	19	37.2 Å²	37.2	8%	0.083	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	148.3	174.7	58.6	-88.9	0	0	0	111.2	L385 N386 Y389 L462 F467 C468 V470	L385-F460 HydrophobicContact CB-CE2 4.04Å; L385-F460 HydrophobicContact CB-CZ 3.9Å; L385-F460 HydrophobicContact CD1-CZ 4.44Å; N386-F460 HydrophobicContact CB-CD1 4.15Å; N386-F460 HydrophobicContact CB-CD2 3.95Å; N386-F460 HydrophobicContact CB-CE1 4.09Å; N386-F460 HydrophobicContact CB-CE2 3.88Å; N386-F460 HydrophobicContact CB-CG 4.09Å; N386-F460 HydrophobicContact CB-CZ 3.95Å; Y389-F460 HydrophobicContact CD2-CD1 4.47Å; Y389-F460 AromaticContact CD2-CE1 3.51Å; Y389-F460 HydrophobicContact CD2-CE1 3.51Å; Y389-F460 AromaticContact CD2-CZ 3.85Å; Y389-F460 HydrophobicContact CD2-CZ 3.85Å; Y389-F460 HydrophobicContact CE2-CD1 4.06Å; Y389-F460 AromaticContact CE2-CE1 3.46Å; Y389-F460 HydrophobicContact CE2-CE1 3.46Å; Y389-F460 VanDerWaalsContact CE2-CE1 3.46Å; Y389-F460 HydrophobicContact CE2-CZ 4.26Å; F460-L462 HydrophobicContact CD2-CD2 4.27Å; F460-L462 HydrophobicContact CE2-CD2 3.74Å; F460-L462 HydrophobicContact CE2-CG 4.29Å; F460-F467 WeakPolarHBondContact O-CA 3.47Å; F460-C468 HydrophobicContact CD1-CB 4.27Å; F460-C468 HydrophobicContact CD2-CB 4.08Å; F460-C468 HydrophobicContact CE1-CB 3.81Å; F460-C468 HydrophobicContact CE2-CB 3.6Å; F460-C468 HydrophobicContact CG-CB 4.39Å; F460-C468 HydrophobicContact CZ-CB 3.45Å; F460-C468 VanDerWaalsContact CZ-CB 3.45Å; F460-C468 PolarHBondContact N-O 3.33Å; F460-C468 VanDerWaalsContact N-O 3.15Å; F460-C468 PolarHBondContact O-N 3.03Å; F460-V470 HydrophobicContact CD1-CG2 4.44Å; F460-V470 HydrophobicContact CE1-CG2 3.72Å
461	S	89.8	Confident	92.6	Very high	69 Å²	69	36.5 Å²	36.5	48%	0.483	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	142.8	171.7	-56.8	0	0	0	0	110.1
462	L	89.2	Confident	92.5	Very high	63 Å²	63	34.6 Å²	34.6	33%	0.33	18%	0.18	S	C	.	.	S	Bend	trans	-93.3	-45.8	170.8	-73.9	177.1	0	0	0	110.4	F379 L385 I419 F460 S466 C468	F379-L462 HydrophobicContact CE1-CD1 4.34Å; F379-L462 HydrophobicContact CZ-CD1 4.11Å; L385-L462 HydrophobicContact CD1-CD1 4.42Å; L385-L462 HydrophobicContact CD1-CD2 4.3Å; L385-L462 HydrophobicContact CD2-CD2 4.03Å; I419-L462 HydrophobicContact CG2-CD1 3.94Å; F460-L462 HydrophobicContact CD2-CD2 4.27Å; F460-L462 HydrophobicContact CE2-CD2 3.74Å; F460-L462 HydrophobicContact CE2-CG 4.29Å; L462-S466 WeakPolarHBondContact CB-OG 3.36Å; L462-S466 PolarHBondContact N-O 2.75Å; L462-C468 VanDerWaalsContact CD1-SG 3.52Å
463	D	86.5	Confident	92.4	Very high	93 Å²	93	34.8 Å²	34.8	50%	0.497	18%	0.181	S	C	.	.	S	Bend	trans	-150.9	-164.2	174.6	60.8	31.1	0	0	0	110	D465 S466	D463-D465 VanDerWaalsContact C-N 3.29Å; D463-D465 PolarHBondContact O-N 3.39Å; D463-D465 WeakPolarHBondContact OD1-CA 3.41Å; D463-D465 PolarHBondContact OD1-N 2.76Å; D463-S466 PolarHBondContact N-O 3.16Å; D463-S466 VanDerWaalsContact O-O 3.13Å; D463-S466 WeakPolarHBondContact OD1-CB 3.32Å; D463-S466 PolarHBondContact OD1-N 3.42Å; D463-S466 PolarHBondContact OD1-OG 2.9Å; D463-S466 PolarHBondContact OD2-OG 2.78Å
464	T	80.6	Confident	92.3	Very high	128 Å²	128	35.3 Å²	35.3	79%	0.785	19%	0.185	S	C	*	.	S	Bend	trans	-68.1	-27.6	179.5	52.8	0	0	0	0	113.5
465	D	84.1	Confident	91.9	Very high	28 Å²	28	42 Å²	42	15%	0.15	22%	0.216	C	C	.	.	S	Bend	trans	-111.6	6.4	-172.9	-71.7	-25.2	0	0	0	112.2	L422 K431 D463	L422-D465 HydrophobicContact CB-CB 4.3Å; L422-D465 VanDerWaalsContact CB-O 3.23Å; L422-D465 WeakPolarHBondContact CB-O 3.27Å; L422-D465 PolarHBondContact N-O 3.33Å; K431-D465 WeakPolarHBondContact CD-OD1 3.41Å; K431-D465 WeakPolarHBondContact CE-OD1 3.49Å; K431-D465 VanDerWaalsContact NZ-CG 3.34Å; K431-D465 IonicContact NZ-OD1 3.15Å; K431-D465 PolarHBondContact NZ-OD1 2.86Å; K431-D465 IonicContact NZ-OD2 3.61Å; K431-D465 PolarHBondContact NZ-OD2 2.88Å; K431-D465 VanDerWaalsContact NZ-OD2 3.15Å; D463-D465 VanDerWaalsContact C-N 3.29Å; D463-D465 PolarHBondContact O-N 3.39Å; D463-D465 WeakPolarHBondContact OD1-CA 3.41Å; D463-D465 PolarHBondContact OD1-N 2.76Å
466	S	88.1	Confident	91.6	Very high	7 Å²	7	39.3 Å²	39.3	5%	0.049	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	143.1	-178.5	64.8	0	0	0	0	114	H420 L462 D463	H420-S466 WeakPolarHBondContact O-CA 3.09Å; H420-S466 VanDerWaalsContact O-CB 3.27Å; H420-S466 WeakPolarHBondContact O-CB 3.3Å; L462-S466 WeakPolarHBondContact CB-OG 3.36Å; L462-S466 PolarHBondContact N-O 2.75Å; D463-S466 PolarHBondContact N-O 3.16Å; D463-S466 VanDerWaalsContact O-O 3.13Å; D463-S466 WeakPolarHBondContact OD1-CB 3.32Å; D463-S466 PolarHBondContact OD1-N 3.42Å; D463-S466 PolarHBondContact OD1-OG 2.9Å; D463-S466 PolarHBondContact OD2-OG 2.78Å
467	F	89.5	Confident	91.3	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	163.6	178.1	65.9	-88.9	0	0	0	110.5	H420 Y434 A438 Y459 F460	H420-F467 HydrophobicContact CB-CD1 3.98Å; H420-F467 HydrophobicContact CB-CD2 4.07Å; H420-F467 HydrophobicContact CB-CE1 3.5Å; H420-F467 HydrophobicContact CB-CE2 3.61Å; H420-F467 HydrophobicContact CB-CG 4.23Å; H420-F467 HydrophobicContact CB-CZ 3.27Å; H420-F467 AromaticContact CD2-CD2 3.78Å; H420-F467 AromaticContact CD2-CE2 3.23Å; H420-F467 WeakPolarHBondContact CD2-CE2 3.4Å; H420-F467 AromaticContact CD2-CZ 3.75Å; H420-F467 AromaticContact CE1-CE2 3.89Å; H420-F467 AromaticContact CG-CE2 3.28Å; H420-F467 AromaticContact CG-CZ 3.25Å; H420-F467 PolarHBondContact N-O 2.87Å; H420-F467 AromaticContact ND1-CE2 3.72Å; H420-F467 AromaticContact ND1-CZ 3.49Å; H420-F467 WeakPolarHBondContact ND1-CZ 3.36Å; H420-F467 AromaticContact NE2-CE2 3.66Å; H420-F467 PolarHBondContact O-N 2.78Å; Y434-F467 HydrophobicContact CD1-CE1 4.22Å; Y434-F467 AromaticContact CE1-CE1 3.89Å; Y434-F467 HydrophobicContact CE1-CE1 3.89Å; Y434-F467 AromaticContact CE1-CZ 3.97Å; Y434-F467 HydrophobicContact CE1-CZ 3.97Å; A438-F467 HydrophobicContact CB-CE1 3.75Å; A438-F467 HydrophobicContact CB-CE2 3.58Å; A438-F467 HydrophobicContact CB-CZ 3.09Å; Y459-F467 HydrophobicContact CD2-CD2 4.19Å; Y459-F467 HydrophobicContact CE2-CB 4.23Å; Y459-F467 AromaticContact CE2-CD2 3.43Å; Y459-F467 HydrophobicContact CE2-CD2 3.43Å; Y459-F467 VanDerWaalsContact CE2-CD2 3.43Å; Y459-F467 HydrophobicContact CE2-CE2 4.09Å; Y459-F467 HydrophobicContact CE2-CG 4.02Å; F460-F467 WeakPolarHBondContact O-CA 3.47Å
468	C	93.2	Very high	91.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.4	-175.6	-69.7	0	0	0	0	110.9	V417 K418 Y459 F460 L462	V417-C468 HydrophobicContact CG1-CB 4.19Å; K418-C468 WeakPolarHBondContact O-CA 3.45Å; Y459-C468 WeakPolarHBondContact CA-O 3.2Å; F460-C468 HydrophobicContact CD1-CB 4.27Å; F460-C468 HydrophobicContact CD2-CB 4.08Å; F460-C468 HydrophobicContact CE1-CB 3.81Å; F460-C468 HydrophobicContact CE2-CB 3.6Å; F460-C468 HydrophobicContact CG-CB 4.39Å; F460-C468 HydrophobicContact CZ-CB 3.45Å; F460-C468 VanDerWaalsContact CZ-CB 3.45Å; F460-C468 PolarHBondContact N-O 3.33Å; F460-C468 VanDerWaalsContact N-O 3.15Å; F460-C468 PolarHBondContact O-N 3.03Å; L462-C468 VanDerWaalsContact CD1-SG 3.52Å
469	T	93.1	Very high	91.4	Very high	6 Å²	6	40.6 Å²	40.6	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134	162.4	49.1	0	0	0	0	109.3	K418 H420 L456 Y459	K418-T469 WeakPolarHBondContact CB-OG1 3.44Å; K418-T469 PolarHBondContact N-O 2.89Å; K418-T469 PolarHBondContact O-N 3.04Å; H420-T469 PolarHBondContact NE2-OG1 3.39Å; L456-T469 HydrophobicContact CD1-CG2 4.24Å; Y459-T469 HydrophobicContact CD2-CG2 3.94Å
470	V	96.4	Very high	91.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	116.4	179.9	-173.9	0	0	0	0	108.8	Y389 V415 V417 Y457 D458 F460	Y389-V470 HydrophobicContact CD1-CG1 4.26Å; Y389-V470 HydrophobicContact CD1-CG2 4.47Å; Y389-V470 HydrophobicContact CD2-CG2 4.19Å; Y389-V470 HydrophobicContact CE1-CG1 3.9Å; Y389-V470 HydrophobicContact CE1-CG2 4.19Å; Y389-V470 HydrophobicContact CE2-CG2 3.87Å; Y389-V470 HydrophobicContact CG-CG2 4.48Å; V415-V470 HydrophobicContact CB-CG1 3.73Å; V415-V470 HydrophobicContact CG1-CG1 4.07Å; V415-V470 HydrophobicContact CG2-CG1 3.73Å; V417-V470 HydrophobicContact CG2-CG1 4.49Å; V417-V470 HydrophobicContact CG2-CG2 4.37Å; Y457-V470 PolarHBondContact N-O 2.94Å; D458-V470 HydrophobicContact CB-CB 3.86Å; D458-V470 HydrophobicContact CB-CG2 3.88Å; D458-V470 PolarHBondContact N-O 3.42Å; D458-V470 PolarHBondContact O-N 3.43Å; F460-V470 HydrophobicContact CD1-CG2 4.44Å; F460-V470 HydrophobicContact CE1-CG2 3.72Å
471	L	96.4	Very high	91.5	Very high	17 Å²	17	41.2 Å²	41.2	9%	0.089	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	157.5	-172	-62.1	162.3	0	0	0	110.9	A416 K418 V454 K455 L456 Y473	A416-L471 HydrophobicContact CB-CB 4.25Å; A416-L471 PolarHBondContact N-O 2.86Å; A416-L471 PolarHBondContact O-N 2.86Å; K418-L471 HydrophobicContact CB-CD1 4.27Å; V454-L471 HydrophobicContact CG1-CB 4.04Å; V454-L471 HydrophobicContact CG1-CD2 4.21Å; K455-L471 CarbonylContact O-C 3.56Å; K455-L471 WeakPolarHBondContact O-CA 3.33Å; L456-L471 HydrophobicContact CB-CD2 4.42Å; L456-L471 HydrophobicContact CD1-CD2 3.68Å; L456-L471 HydrophobicContact CD1-CG 4.4Å; L471-Y473 PolarHBondContact O-N 2.92Å
472	E	96.7	Very high	91.7	Very high	36 Å²	36	39.5 Å²	39.5	17%	0.168	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	126.7	165.1	178	-176.4	-167.3	0	0	110.6	V454 K455 Y457 K537	V454-E472 HydrophobicContact CG1-CB 3.99Å; K455-E472 HydrophobicContact CB-CB 4.15Å; K455-E472 PolarHBondContact N-OE2 2.82Å; K455-E472 PolarHBondContact O-N 3.34Å; Y457-E472 HydrophobicContact CE2-CB 4.05Å; E472-K537 VanDerWaalsContact CD-NZ 3.26Å; E472-K537 WeakPolarHBondContact OE1-CE 3.24Å; E472-K537 IonicContact OE1-NZ 3.4Å; E472-K537 PolarHBondContact OE1-NZ 3.15Å; E472-K537 IonicContact OE2-NZ 3.98Å; E472-K537 PolarHBondContact OE2-NZ 3.43Å
473	Y	96.3	Very high	91.9	Very high	44 Å²	44	37 Å²	37	17%	0.173	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-81.3	122	174.9	177	-116.6	0	0	0	110.3	L395 K405 L471 E475	L395-Y473 HydrophobicContact CD1-CD2 4.18Å; L395-Y473 HydrophobicContact CD1-CE2 3.97Å; L395-Y473 HydrophobicContact CD2-CE2 4.25Å; K405-Y473 HydrophobicContact CD-CE1 4.22Å; K405-Y473 HydrophobicContact CD-CE2 4.13Å; K405-Y473 HydrophobicContact CG-CD2 4.36Å; K405-Y473 HydrophobicContact CG-CE2 4.05Å; K405-Y473 PolarHBondContact NZ-OH 2.85Å; L471-Y473 PolarHBondContact O-N 2.92Å; Y473-E475 HydrophobicContact CD1-CG 4.4Å; Y473-E475 HydrophobicContact CE1-CB 4.49Å; Y473-E475 HydrophobicContact CE1-CG 3.9Å
474	C	94.4	Very high	92	Very high	12 Å²	12	36.8 Å²	36.8	8%	0.081	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-99.2	130.6	168.3	-63.2	0	0	0	0	108.8	L526	C474-L526 HydrophobicContact CB-CB 4.1Å; C474-L526 HydrophobicContact CB-CD1 3.88Å
475	E	89.3	Confident	92.4	Very high	142 Å²	142	34.5 Å²	34.5	66%	0.664	17%	0.17	S	C	*	.	S	Bend	trans	-72.7	-38.5	-174	-63.9	-168.6	153.6	0	0	113.1	Y473 V528	Y473-E475 HydrophobicContact CD1-CG 4.4Å; Y473-E475 HydrophobicContact CE1-CB 4.49Å; Y473-E475 HydrophobicContact CE1-CG 3.9Å; E475-V528 PolarHBondContact N-O 3.09Å
476	G	89.4	Confident	92.7	Very high	17 Å²	17	36.9 Å²	36.9	18%	0.175	18%	0.18	C	C	.	.	S	Bend	trans	-79.5	168.6	178.4	0	0	0	0	0	114	L527 V528	G476-L527 CarbonylContact C-O 3.47Å; G476-L527 WeakPolarHBondContact CA-O 3.36Å; G476-V528 PolarHBondContact N-O 3.31Å
477	N	91.2	Very high	92.7	Very high	85 Å²	85	41.1 Å²	41.1	46%	0.455	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-79.2	172.1	-179.9	-67	-47.4	0	0	0	112.3	F481 L527	N477-F481 HydrophobicContact CB-CB 3.84Å; N477-F481 HydrophobicContact CB-CD1 3.8Å; N477-F481 HydrophobicContact CB-CG 3.82Å; N477-F481 WeakPolarHBondContact ND2-CD1 3.25Å; N477-F481 VanDerWaalsContact ND2-CE1 3.3Å; N477-F481 WeakPolarHBondContact ND2-CE1 3.36Å; N477-L527 WeakPolarHBondContact O-CB 3.08Å; N477-L527 PolarHBondContact O-N 3.38Å
478	D	94.6	Very high	92.8	Very high	40 Å²	40	44.1 Å²	44.1	21%	0.214	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-72.9	163.4	170.6	62.3	72.5	0	0	0	113.4	D480 F481 Y482 I525 L526	D478-D480 VanDerWaalsContact C-N 3.28Å; D478-D480 PolarHBondContact O-N 3.3Å; D478-D480 WeakPolarHBondContact OD1-CA 3.4Å; D478-D480 VanDerWaalsContact OD1-CB 3.25Å; D478-D480 WeakPolarHBondContact OD1-CB 3.38Å; D478-D480 PolarHBondContact OD1-N 2.84Å; D478-F481 WeakPolarHBondContact O-CB 3.47Å; D478-F481 PolarHBondContact O-N 2.77Å; D478-F481 PolarHBondContact OD1-N 2.92Å; D478-Y482 PolarHBondContact O-N 2.83Å; D478-Y482 VanDerWaalsContact O-N 3.1Å; D478-I525 CarbonylContact C-O 3.39Å; D478-I525 VanDerWaalsContact CA-O 3.27Å; D478-I525 WeakPolarHBondContact CA-O 3.49Å; D478-L526 HydrophobicContact CB-CD2 4.03Å
479	L	96.5	Very high	92.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.5	-27.7	179.5	-179.8	64	0	0	0	112.5	Y482 L483 M489 I497 P522 I525 I597	L479-Y482 PolarHBondContact O-N 3.31Å; L479-L483 HydrophobicContact CD1-CD1 4.46Å; L479-L483 HydrophobicContact CD1-CG 4.26Å; L479-L483 HydrophobicContact CG-CD1 4.13Å; L479-L483 HydrophobicContact CG-CG 4.38Å; L479-L483 WeakPolarHBondContact O-CB 3.26Å; L479-L483 VanDerWaalsContact O-CG 3.28Å; L479-L483 WeakPolarHBondContact O-CG 3.34Å; L479-L483 PolarHBondContact O-N 3.4Å; L479-M489 HydrophobicContact CD1-CE 3.49Å; L479-M489 VanDerWaalsContact CD1-CE 3.49Å; L479-I497 HydrophobicContact CD1-CD1 4Å; L479-I497 HydrophobicContact CD2-CG2 4.25Å; L479-P522 HydrophobicContact CB-CB 4.03Å; L479-P522 WeakPolarHBondContact CB-O 3.41Å; L479-P522 HydrophobicContact CD2-CB 4.19Å; L479-P522 HydrophobicContact CG-CB 4Å; L479-P522 PolarHBondContact N-O 3.35Å; L479-I525 HydrophobicContact CB-CB 4.06Å; L479-I525 HydrophobicContact CB-CG2 4.2Å; L479-I525 HydrophobicContact CD2-CB 4.38Å; L479-I525 HydrophobicContact CD2-CD1 3.91Å; L479-I525 HydrophobicContact CD2-CG2 4.29Å; L479-I525 PolarHBondContact N-O 3.13Å; L479-I597 HydrophobicContact CD2-CG2 4.12Å
480	D	94.3	Very high	93.1	Very high	34 Å²	34	47 Å²	47	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-44.3	173.8	170.8	70.6	0	0	0	111.1	R366 D478 Y482 L483 K484 P522	R366-D480 IonicContact CZ-OD2 3.62Å; R366-D480 IonicContact NH1-OD2 2.82Å; R366-D480 IonicContact NH2-OD2 3.66Å; R366-D480 PolarHBondContact NH2-OD2 3.47Å; D478-D480 VanDerWaalsContact C-N 3.28Å; D478-D480 PolarHBondContact O-N 3.3Å; D478-D480 WeakPolarHBondContact OD1-CA 3.4Å; D478-D480 VanDerWaalsContact OD1-CB 3.25Å; D478-D480 WeakPolarHBondContact OD1-CB 3.38Å; D478-D480 PolarHBondContact OD1-N 2.84Å; D480-Y482 VanDerWaalsContact C-N 3.34Å; D480-L483 PolarHBondContact O-N 2.94Å; D480-K484 WeakPolarHBondContact O-CB 3.16Å; D480-K484 WeakPolarHBondContact O-CG 3.3Å; D480-K484 PolarHBondContact O-N 3.07Å; D480-K484 WeakPolarHBondContact OD1-CE 3.13Å; D480-K484 IonicContact OD1-NZ 3.75Å; D480-K484 PolarHBondContact OD1-NZ 3.17Å; D480-K484 IonicContact OD2-NZ 3.56Å; D480-K484 PolarHBondContact OD2-NZ 3.19Å; D480-P522 HydrophobicContact CB-CB 3.92Å; D480-P522 PolarHBondContact N-O 3.31Å
481	F	92.2	Very high	93.1	Very high	42 Å²	42	49.7 Å²	49.7	18%	0.184	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-46.6	172.5	-171.9	-77.5	0	0	0	111.1	L363 N477 D478 L483 K484 Q485	L363-F481 HydrophobicContact CD1-CZ 4.43Å; L363-F481 HydrophobicContact CD2-CD2 4.09Å; L363-F481 HydrophobicContact CD2-CE1 4.13Å; L363-F481 HydrophobicContact CD2-CE2 3.67Å; L363-F481 HydrophobicContact CD2-CG 4.48Å; L363-F481 HydrophobicContact CD2-CZ 3.69Å; N477-F481 HydrophobicContact CB-CB 3.84Å; N477-F481 HydrophobicContact CB-CD1 3.8Å; N477-F481 HydrophobicContact CB-CG 3.82Å; N477-F481 WeakPolarHBondContact ND2-CD1 3.25Å; N477-F481 VanDerWaalsContact ND2-CE1 3.3Å; N477-F481 WeakPolarHBondContact ND2-CE1 3.36Å; D478-F481 WeakPolarHBondContact O-CB 3.47Å; D478-F481 PolarHBondContact O-N 2.77Å; D478-F481 PolarHBondContact OD1-N 2.92Å; F481-L483 PolarHBondContact O-N 2.99Å; F481-K484 PolarHBondContact O-N 3.34Å; F481-Q485 PolarHBondContact O-N 2.87Å
482	Y	93.5	Very high	93	Very high	33 Å²	33	57.5 Å²	57.5	13%	0.129	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-47.3	178.1	-173.8	-85	0	0	0	112	D478 L479 D480 K484 Q485 H486 M489 L527 A532	D478-Y482 PolarHBondContact O-N 2.83Å; D478-Y482 VanDerWaalsContact O-N 3.1Å; L479-Y482 PolarHBondContact O-N 3.31Å; D480-Y482 VanDerWaalsContact C-N 3.34Å; Y482-K484 VanDerWaalsContact C-N 3.32Å; Y482-K484 PolarHBondContact O-N 2.92Å; Y482-Q485 PolarHBondContact O-N 2.88Å; Y482-Q485 VanDerWaalsContact O-N 3.11Å; Y482-H486 HydrophobicContact CD1-CB 4.34Å; Y482-H486 AromaticContact CD2-CD2 3.7Å; Y482-H486 HydrophobicContact CE1-CB 3.91Å; Y482-H486 AromaticContact CE1-CD2 3.83Å; Y482-H486 AromaticContact CE1-CG 3.97Å; Y482-H486 AromaticContact CE2-CD2 3.48Å; Y482-H486 VanDerWaalsContact CE2-CD2 3.48Å; Y482-H486 WeakPolarHBondContact CE2-CD2 3.46Å; Y482-H486 AromaticContact CE2-NE2 3.75Å; Y482-H486 AromaticContact CG-CD2 3.97Å; Y482-H486 AromaticContact CZ-CD2 3.55Å; Y482-H486 AromaticContact CZ-CG 3.84Å; Y482-H486 PolarHBondContact O-CD2 3.31Å; Y482-H486 PolarHBondContact O-N 3.14Å; Y482-M489 HydrophobicContact CD1-CE 3.82Å; Y482-M489 HydrophobicContact CE1-CB 4.48Å; Y482-M489 HydrophobicContact CE1-CE 3.83Å; Y482-L527 HydrophobicContact CD2-CD1 3.64Å; Y482-L527 HydrophobicContact CG-CD1 3.74Å; Y482-A532 HydrophobicContact CE1-CB 4.04Å; Y482-A532 HydrophobicContact CE2-CB 4.17Å
483	L	93.1	Very high	92.9	Very high	11 Å²	11	58.4 Å²	58.4	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-32.6	179	-70.5	171.9	0	0	0	112.5	L479 D480 F481 Q485 K487 M489 P522 Q600	L479-L483 HydrophobicContact CD1-CD1 4.46Å; L479-L483 HydrophobicContact CD1-CG 4.26Å; L479-L483 HydrophobicContact CG-CD1 4.13Å; L479-L483 HydrophobicContact CG-CG 4.38Å; L479-L483 WeakPolarHBondContact O-CB 3.26Å; L479-L483 VanDerWaalsContact O-CG 3.28Å; L479-L483 WeakPolarHBondContact O-CG 3.34Å; L479-L483 PolarHBondContact O-N 3.4Å; D480-L483 PolarHBondContact O-N 2.94Å; F481-L483 PolarHBondContact O-N 2.99Å; L483-Q485 VanDerWaalsContact C-N 3.32Å; L483-K487 WeakPolarHBondContact O-CA 3.39Å; L483-K487 PolarHBondContact O-N 3.49Å; L483-M489 HydrophobicContact CD2-CE 3.93Å; L483-P522 HydrophobicContact CD1-CB 4.3Å; L483-P522 HydrophobicContact CD1-CG 4.3Å; L483-Q600 HydrophobicContact CD1-CG 4.12Å
484	K	89.8	Confident	93	Very high	88 Å²	88	56.3 Å²	56.3	38%	0.383	28%	0.275	S	S	.	.	H	α-helix	trans	-66.3	-34.8	171.9	-79.9	167.1	172.4	146.8	0	112.6	R359 L363 D480 F481 Y482	R359-K484 WeakPolarHBondContact CD-O 3.48Å; R359-K484 WeakPolarHBondContact CG-O 3.5Å; L363-K484 HydrophobicContact CD2-CB 4.35Å; D480-K484 WeakPolarHBondContact O-CB 3.16Å; D480-K484 WeakPolarHBondContact O-CG 3.3Å; D480-K484 PolarHBondContact O-N 3.07Å; D480-K484 WeakPolarHBondContact OD1-CE 3.13Å; D480-K484 IonicContact OD1-NZ 3.75Å; D480-K484 PolarHBondContact OD1-NZ 3.17Å; D480-K484 IonicContact OD2-NZ 3.56Å; D480-K484 PolarHBondContact OD2-NZ 3.19Å; F481-K484 PolarHBondContact O-N 3.34Å; Y482-K484 VanDerWaalsContact C-N 3.32Å; Y482-K484 PolarHBondContact O-N 2.92Å
485	Q	89	Confident	93.1	Very high	81 Å²	81	58 Å²	58	38%	0.379	28%	0.28	S	S	.	.	H	α-helix	trans	-76.2	-44.2	177.4	-174.2	171.2	-43.7	0	0	112.3	R359 L363 F481 Y482 L483	R359-Q485 PolarHBondContact NH1-O 2.86Å; L363-Q485 HydrophobicContact CD1-CB 3.98Å; L363-Q485 HydrophobicContact CD1-CG 4.04Å; F481-Q485 PolarHBondContact O-N 2.87Å; Y482-Q485 PolarHBondContact O-N 2.88Å; Y482-Q485 VanDerWaalsContact O-N 3.11Å; L483-Q485 VanDerWaalsContact C-N 3.32Å
486	H	89.4	Confident	93.4	Very high	77 Å²	77	53 Å²	53	36%	0.356	26%	0.261	S	S	.	.	H	α-helix	trans	-104.3	-7.6	-169.2	-65.9	-82.2	0	0	0	114.7	Y482 L488	Y482-H486 HydrophobicContact CD1-CB 4.34Å; Y482-H486 AromaticContact CD2-CD2 3.7Å; Y482-H486 HydrophobicContact CE1-CB 3.91Å; Y482-H486 AromaticContact CE1-CD2 3.83Å; Y482-H486 AromaticContact CE1-CG 3.97Å; Y482-H486 AromaticContact CE2-CD2 3.48Å; Y482-H486 VanDerWaalsContact CE2-CD2 3.48Å; Y482-H486 WeakPolarHBondContact CE2-CD2 3.46Å; Y482-H486 AromaticContact CE2-NE2 3.75Å; Y482-H486 AromaticContact CG-CD2 3.97Å; Y482-H486 AromaticContact CZ-CD2 3.55Å; Y482-H486 AromaticContact CZ-CG 3.84Å; Y482-H486 PolarHBondContact O-CD2 3.31Å; Y482-H486 PolarHBondContact O-N 3.14Å; H486-L488 PolarHBondContact O-N 2.88Å
487	K	88.4	Confident	93.8	Very high	97 Å²	97	52.2 Å²	52.2	42%	0.422	25%	0.252	S	S	.	.	S	Bend	trans	68.6	-55.4	-175	-165	175.9	-171.8	175.8	0	113.4	E355 L483 G604	E355-K487 IonicContact OE1-NZ 2.8Å; E355-K487 IonicContact OE2-NZ 3.84Å; E355-K487 PolarHBondContact OE2-NZ 3.43Å; L483-K487 WeakPolarHBondContact O-CA 3.39Å; L483-K487 PolarHBondContact O-N 3.49Å; K487-G604 WeakPolarHBondContact O-CA 3.36Å
488	L	92.4	Very high	94.2	Very high	65 Å²	65	48.2 Å²	48.2	34%	0.34	23%	0.231	S	C	.	.			trans	-148.6	173.4	179.7	58.2	82.7	0	0	0	109.7	H486 C601 P635	H486-L488 PolarHBondContact O-N 2.88Å; L488-C601 CarbonylContact C-O 3.51Å; L488-C601 WeakPolarHBondContact CA-O 3.42Å; L488-C601 WeakPolarHBondContact CB-O 3.43Å; L488-P635 HydrophobicContact CD2-CG 4.12Å
489	M	95	Very high	94.3	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.044	23%	0.233	C	C	.	.			trans	-133.6	166.8	176	62.5	180	70.7	0	0	111.5	L479 Y482 L483 E493 I497 A532 C601	L479-M489 HydrophobicContact CD1-CE 3.49Å; L479-M489 VanDerWaalsContact CD1-CE 3.49Å; Y482-M489 HydrophobicContact CD1-CE 3.82Å; Y482-M489 HydrophobicContact CE1-CB 4.48Å; Y482-M489 HydrophobicContact CE1-CE 3.83Å; L483-M489 HydrophobicContact CD2-CE 3.93Å; M489-E493 HydrophobicContact CB-CB 4.18Å; M489-E493 HydrophobicContact CG-CB 4.3Å; M489-E493 HydrophobicContact SD-CB 3.99Å; M489-I497 HydrophobicContact CE-CD1 3.81Å; M489-I497 HydrophobicContact SD-CD1 3.64Å; M489-A532 HydrophobicContact CE-CB 4.45Å; M489-C601 HydrophobicContact CE-CB 4.3Å; M489-C601 HydrophobicContact CG-CB 3.84Å; M489-C601 WeakPolarHBondContact CG-O 3.35Å; M489-C601 PolarHBondContact N-O 3.36Å; M489-C601 HydrophobicContact SD-CB 3.9Å
490	S	95.9	Very high	94.4	Very high	57 Å²	57	49.8 Å²	49.8	40%	0.399	24%	0.238	S	C	.	.			trans	-65.6	155.5	177.1	68.7	0	0	0	0	111.5	K492 E493 G494	S490-K492 PolarHBondContact O-N 2.92Å; S490-E493 VanDerWaalsContact CB-OE2 3.31Å; S490-E493 WeakPolarHBondContact CB-OE2 3.48Å; S490-E493 PolarHBondContact N-OE2 3.36Å; S490-E493 PolarHBondContact O-N 3.45Å; S490-E493 VanDerWaalsContact O-N 3.14Å; S490-E493 VanDerWaalsContact OG-CD 3.26Å; S490-E493 VanDerWaalsContact OG-CG 3.28Å; S490-E493 WeakPolarHBondContact OG-CG 3.15Å; S490-E493 PolarHBondContact OG-N 2.98Å; S490-E493 PolarHBondContact OG-OE2 3.44Å; S490-G494 PolarHBondContact O-N 3.35Å
491	E	96.4	Very high	94.6	Very high	56 Å²	56	48.2 Å²	48.2	26%	0.262	23%	0.229	S	C	.	.	H	α-helix	trans	-56.7	-36.7	176.2	-171.9	180	134.8	0	0	112.3	G494 R495 L602 S638 A641	E491-G494 PolarHBondContact O-N 3.4Å; E491-R495 WeakPolarHBondContact O-CB 3.35Å; E491-R495 PolarHBondContact O-N 3.11Å; E491-L602 HydrophobicContact CB-CD2 4.1Å; E491-L602 HydrophobicContact CG-CD2 4.32Å; E491-S638 VanDerWaalsContact CD-OG 3.24Å; E491-S638 WeakPolarHBondContact OE1-CB 3.44Å; E491-S638 PolarHBondContact OE1-OG 3.11Å; E491-S638 WeakPolarHBondContact OE2-CB 3.32Å; E491-S638 PolarHBondContact OE2-N 3.33Å; E491-S638 PolarHBondContact OE2-OG 2.66Å; E491-A641 HydrophobicContact CG-CB 4.21Å
492	K	95.1	Very high	94.9	Very high	181 Å²	181	46.3 Å²	46.3	79%	0.787	22%	0.221	S	C	*	.	H	α-helix	trans	-64.7	-43.9	178	-173.1	179.6	178	-176.7	0	112.2	S490 S496	S490-K492 PolarHBondContact O-N 2.92Å; K492-S496 WeakPolarHBondContact O-CB 3.43Å; K492-S496 PolarHBondContact O-N 3.25Å
493	E	95.6	Very high	95.1	Very high	56 Å²	56	48.6 Å²	48.6	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-66.7	-48.1	176.4	-71.3	162.5	135.8	0	0	110.9	M489 S490 R495 S496 I497 A532	M489-E493 HydrophobicContact CB-CB 4.18Å; M489-E493 HydrophobicContact CG-CB 4.3Å; M489-E493 HydrophobicContact SD-CB 3.99Å; S490-E493 VanDerWaalsContact CB-OE2 3.31Å; S490-E493 WeakPolarHBondContact CB-OE2 3.48Å; S490-E493 PolarHBondContact N-OE2 3.36Å; S490-E493 PolarHBondContact O-N 3.45Å; S490-E493 VanDerWaalsContact O-N 3.14Å; S490-E493 VanDerWaalsContact OG-CD 3.26Å; S490-E493 VanDerWaalsContact OG-CG 3.28Å; S490-E493 WeakPolarHBondContact OG-CG 3.15Å; S490-E493 PolarHBondContact OG-N 2.98Å; S490-E493 PolarHBondContact OG-OE2 3.44Å; E493-R495 VanDerWaalsContact C-N 3.33Å; E493-R495 PolarHBondContact O-N 3.04Å; E493-S496 WeakPolarHBondContact O-CB 3.22Å; E493-S496 PolarHBondContact O-N 3.07Å; E493-S496 VanDerWaalsContact O-N 3.12Å; E493-I497 PolarHBondContact O-N 3.01Å; E493-A532 HydrophobicContact CB-CB 4.19Å; E493-A532 HydrophobicContact CG-CB 4.31Å
494	G	97.1	Very high	95.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.8	-47.5	177	0	0	0	0	0	111.6	S490 E491 S496 I497 I498	S490-G494 PolarHBondContact O-N 3.35Å; E491-G494 PolarHBondContact O-N 3.4Å; G494-S496 VanDerWaalsContact C-N 3.35Å; G494-S496 PolarHBondContact O-N 2.91Å; G494-I497 PolarHBondContact O-N 2.8Å; G494-I498 WeakPolarHBondContact O-CG1 3.42Å; G494-I498 PolarHBondContact O-N 2.88Å
495	R	97.1	Very high	95.8	Very high	47 Å²	47	43.9 Å²	43.9	18%	0.177	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-42.8	176.2	-177.6	-178.5	178.5	-83.1	-1.3	112.2	E491 E493 I497 I498 M499 F667 L668 M669	E491-R495 WeakPolarHBondContact O-CB 3.35Å; E491-R495 PolarHBondContact O-N 3.11Å; E493-R495 VanDerWaalsContact C-N 3.33Å; E493-R495 PolarHBondContact O-N 3.04Å; R495-I497 VanDerWaalsContact C-N 3.32Å; R495-I497 PolarHBondContact O-N 3.3Å; R495-I498 PolarHBondContact O-N 2.92Å; R495-M499 HydrophobicContact CG-SD 4.4Å; R495-M499 PolarHBondContact NH1-SD 2.96Å; R495-M499 VanDerWaalsContact O-CG 3.31Å; R495-M499 WeakPolarHBondContact O-CG 3.48Å; R495-M499 PolarHBondContact O-N 2.99Å; R495-F667 HydrophobicContact CB-CE1 4.28Å; R495-F667 HydrophobicContact CB-CZ 4.33Å; R495-F667 HydrophobicContact CG-CE1 3.92Å; R495-F667 HydrophobicContact CG-CZ 4.16Å; R495-F667 VanDerWaalsContact CZ-O 3.23Å; R495-F667 PolarHBondContact NE-O 2.9Å; R495-F667 PolarHBondContact NH2-O 2.93Å; R495-L668 HydrophobicContact CG-CD2 4.48Å; R495-L668 VanDerWaalsContact NH2-C 3.28Å; R495-L668 PolarHBondContact NH2-O 3.2Å; R495-M669 PolarHBondContact NH2-O 3.28Å
496	S	96	Very high	96.2	Very high	38 Å²	38	43.8 Å²	43.8	27%	0.266	21%	0.213	S	C	.	.	H	α-helix	trans	-58	-44.2	177	-174.1	0	0	0	0	112.1	K492 E493 G494 Q500	K492-S496 WeakPolarHBondContact O-CB 3.43Å; K492-S496 PolarHBondContact O-N 3.25Å; E493-S496 WeakPolarHBondContact O-CB 3.22Å; E493-S496 PolarHBondContact O-N 3.07Å; E493-S496 VanDerWaalsContact O-N 3.12Å; G494-S496 VanDerWaalsContact C-N 3.35Å; G494-S496 PolarHBondContact O-N 2.91Å; S496-Q500 WeakPolarHBondContact O-CG 3.22Å; S496-Q500 PolarHBondContact O-N 3.13Å; S496-Q500 PolarHBondContact O-NE2 3.16Å
497	I	97.6	Very high	96.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.5	-47.5	176.9	-69.9	166.7	0	0	0	110.5	L479 M489 E493 G494 R495 M499 Q500 I501 L527 A532 I536	L479-I497 HydrophobicContact CD1-CD1 4Å; L479-I497 HydrophobicContact CD2-CG2 4.25Å; M489-I497 HydrophobicContact CE-CD1 3.81Å; M489-I497 HydrophobicContact SD-CD1 3.64Å; E493-I497 PolarHBondContact O-N 3.01Å; G494-I497 PolarHBondContact O-N 2.8Å; R495-I497 VanDerWaalsContact C-N 3.32Å; R495-I497 PolarHBondContact O-N 3.3Å; I497-M499 VanDerWaalsContact C-N 3.35Å; I497-M499 PolarHBondContact O-N 3.16Å; I497-Q500 PolarHBondContact O-N 3.36Å; I497-Q500 VanDerWaalsContact O-N 3.15Å; I497-I501 HydrophobicContact CG2-CD1 3.67Å; I497-I501 HydrophobicContact CG2-CG1 4.36Å; I497-I501 WeakPolarHBondContact O-CG1 3.26Å; I497-I501 PolarHBondContact O-N 3.2Å; I497-L527 HydrophobicContact CD1-CD2 4.41Å; I497-A532 HydrophobicContact CD1-CB 4.2Å; I497-I536 HydrophobicContact CG1-CG2 4.13Å
498	I	98.4	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-43.1	179.9	-65	-45.5	0	0	0	111.7	G494 R495 Q500 I501 V502 V594 I597 F598 F644 L668	G494-I498 WeakPolarHBondContact O-CG1 3.42Å; G494-I498 PolarHBondContact O-N 2.88Å; R495-I498 PolarHBondContact O-N 2.92Å; I498-Q500 VanDerWaalsContact C-N 3.27Å; I498-Q500 PolarHBondContact O-N 2.64Å; I498-I501 HydrophobicContact CD1-CD1 4.08Å; I498-I501 PolarHBondContact O-N 2.91Å; I498-V502 HydrophobicContact CG2-CG2 4.03Å; I498-V502 WeakPolarHBondContact O-CB 3.28Å; I498-V502 VanDerWaalsContact O-CG2 3.28Å; I498-V502 WeakPolarHBondContact O-CG2 3.44Å; I498-V502 PolarHBondContact O-N 2.53Å; I498-V594 HydrophobicContact CD1-CG1 4.3Å; I498-V594 HydrophobicContact CG2-CG1 3.82Å; I498-I597 HydrophobicContact CD1-CG2 4.14Å; I498-F598 HydrophobicContact CD1-CB 3.8Å; I498-F598 HydrophobicContact CD1-CD2 4.33Å; I498-F598 HydrophobicContact CD1-CG 4.32Å; I498-F598 HydrophobicContact CG1-CB 3.73Å; I498-F598 HydrophobicContact CG1-CD2 3.53Å; I498-F598 HydrophobicContact CG1-CE2 4.31Å; I498-F598 HydrophobicContact CG1-CG 3.7Å; I498-F644 HydrophobicContact CG2-CE1 4.04Å; I498-F644 HydrophobicContact CG2-CZ 3.82Å; I498-L668 HydrophobicContact CG2-CD1 4.34Å; I498-L668 HydrophobicContact CG2-CD2 3.93Å
499	M	97.6	Very high	97.3	Very high	52 Å²	52	35 Å²	35	26%	0.256	17%	0.17	S	C	.	.	H	α-helix	trans	-55.8	-43.4	176.3	-74.3	177.9	66.3	0	0	112	R495 I497 V502 N503 L668	R495-M499 HydrophobicContact CG-SD 4.4Å; R495-M499 PolarHBondContact NH1-SD 2.96Å; R495-M499 VanDerWaalsContact O-CG 3.31Å; R495-M499 WeakPolarHBondContact O-CG 3.48Å; R495-M499 PolarHBondContact O-N 2.99Å; I497-M499 VanDerWaalsContact C-N 3.35Å; I497-M499 PolarHBondContact O-N 3.16Å; M499-V502 PolarHBondContact O-N 3.01Å; M499-N503 PolarHBondContact O-N 2.82Å; M499-N503 PolarHBondContact O-ND2 3.41Å; M499-L668 WeakPolarHBondContact CE-O 3.35Å; M499-L668 HydrophobicContact CG-CB 4.17Å; M499-L668 HydrophobicContact CG-CD2 3.89Å
500	Q	98.3	Very high	97.3	Very high	22 Å²	22	39.9 Å²	39.9	10%	0.103	19%	0.193	C	C	.	.	H	α-helix	trans	-69.6	-38.2	179.7	-69	-178.9	76	0	0	112.6	R452 S496 I497 I498 N503 A504 G534 I536	R452-Q500 HydrophobicContact CG-CB 4.37Å; S496-Q500 WeakPolarHBondContact O-CG 3.22Å; S496-Q500 PolarHBondContact O-N 3.13Å; S496-Q500 PolarHBondContact O-NE2 3.16Å; I497-Q500 PolarHBondContact O-N 3.36Å; I497-Q500 VanDerWaalsContact O-N 3.15Å; I498-Q500 VanDerWaalsContact C-N 3.27Å; I498-Q500 PolarHBondContact O-N 2.64Å; Q500-N503 PolarHBondContact O-N 3.2Å; Q500-A504 PolarHBondContact O-N 3.43Å; Q500-G534 PolarHBondContact NE2-O 2.93Å; Q500-I536 HydrophobicContact CB-CD1 3.71Å; Q500-I536 HydrophobicContact CB-CG1 3.42Å; Q500-I536 VanDerWaalsContact CB-CG1 3.42Å; Q500-I536 HydrophobicContact CG-CG1 4.27Å
501	I	98.6	Very high	97.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-47.1	174.2	-66.1	164.8	0	0	0	110	I497 I498 N503 A504 L505 L520 I525 I536 I538 V594 I597	I497-I501 HydrophobicContact CG2-CD1 3.67Å; I497-I501 HydrophobicContact CG2-CG1 4.36Å; I497-I501 WeakPolarHBondContact O-CG1 3.26Å; I497-I501 PolarHBondContact O-N 3.2Å; I498-I501 HydrophobicContact CD1-CD1 4.08Å; I498-I501 PolarHBondContact O-N 2.91Å; I501-N503 VanDerWaalsContact C-N 3.3Å; I501-N503 PolarHBondContact O-N 2.96Å; I501-A504 WeakPolarHBondContact O-CB 3.49Å; I501-A504 PolarHBondContact O-N 3.42Å; I501-A504 VanDerWaalsContact O-N 3.07Å; I501-L505 HydrophobicContact CG2-CD1 4.18Å; I501-L505 HydrophobicContact CG2-CG 4.37Å; I501-L505 WeakPolarHBondContact O-CG 3.36Å; I501-L505 PolarHBondContact O-N 3.45Å; I501-L520 HydrophobicContact CG2-CD1 4.07Å; I501-I525 HydrophobicContact CD1-CD1 3.5Å; I501-I525 HydrophobicContact CD1-CG1 4.18Å; I501-I525 HydrophobicContact CG1-CD1 4.31Å; I501-I525 HydrophobicContact CG1-CG1 4.49Å; I501-I536 HydrophobicContact CG1-CD1 3.9Å; I501-I538 HydrophobicContact CG1-CG2 4.46Å; I501-V594 HydrophobicContact CG2-CG2 3.91Å; I501-I597 HydrophobicContact CD1-CG2 4.49Å
502	V	98.6	Very high	96.9	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-36.3	-179.6	173	0	0	0	0	111.4	I498 M499 A504 L505 K506 V594 L662 A663 L668	I498-V502 HydrophobicContact CG2-CG2 4.03Å; I498-V502 WeakPolarHBondContact O-CB 3.28Å; I498-V502 VanDerWaalsContact O-CG2 3.28Å; I498-V502 WeakPolarHBondContact O-CG2 3.44Å; I498-V502 PolarHBondContact O-N 2.53Å; M499-V502 PolarHBondContact O-N 3.01Å; V502-A504 VanDerWaalsContact C-N 3.34Å; V502-A504 PolarHBondContact O-N 3.03Å; V502-L505 PolarHBondContact O-N 2.81Å; V502-K506 WeakPolarHBondContact O-CB 3.05Å; V502-K506 PolarHBondContact O-N 2.95Å; V502-V594 HydrophobicContact CG2-CG1 4.34Å; V502-L662 HydrophobicContact CG1-CD2 4.44Å; V502-L662 HydrophobicContact CG1-CG 4.11Å; V502-L662 HydrophobicContact CG2-CD2 3.71Å; V502-L662 HydrophobicContact CG2-CG 3.87Å; V502-A663 VanDerWaalsContact CG1-CA 3.46Å; V502-A663 HydrophobicContact CG1-CB 3.82Å; V502-L668 HydrophobicContact CB-CD1 4.14Å; V502-L668 HydrophobicContact CG1-CD1 4.1Å; V502-L668 HydrophobicContact CG2-CD1 3.85Å
503	N	98.2	Very high	96.7	Very high	82 Å²	82	41.9 Å²	41.9	44%	0.439	20%	0.195	S	C	.	.	H	α-helix	trans	-61.4	-41	172	-72.1	-16.1	0	0	0	112.3	M499 Q500 I501 Y507	M499-N503 PolarHBondContact O-N 2.82Å; M499-N503 PolarHBondContact O-ND2 3.41Å; Q500-N503 PolarHBondContact O-N 3.2Å; I501-N503 VanDerWaalsContact C-N 3.3Å; I501-N503 PolarHBondContact O-N 2.96Å; N503-Y507 PolarHBondContact O-N 3.5Å
504	A	98.5	Very high	96.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-44.3	174.6	0	0	0	0	0	111.9	R452 I453 Q500 I501 V502 K506 Y507 L508 I538	R452-A504 HydrophobicContact CB-CB 3.92Å; I453-A504 HydrophobicContact CG1-CB 4.08Å; Q500-A504 PolarHBondContact O-N 3.43Å; I501-A504 WeakPolarHBondContact O-CB 3.49Å; I501-A504 PolarHBondContact O-N 3.42Å; I501-A504 VanDerWaalsContact O-N 3.07Å; V502-A504 VanDerWaalsContact C-N 3.34Å; V502-A504 PolarHBondContact O-N 3.03Å; A504-K506 VanDerWaalsContact C-N 3.34Å; A504-K506 PolarHBondContact O-N 2.76Å; A504-Y507 WeakPolarHBondContact O-CB 3.3Å; A504-Y507 PolarHBondContact O-N 3.48Å; A504-L508 WeakPolarHBondContact O-CG 3.37Å; A504-L508 PolarHBondContact O-N 3.25Å; A504-I538 HydrophobicContact CB-CD1 3.63Å; A504-I538 HydrophobicContact CB-CG1 4.06Å
505	L	98.4	Very high	96.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-39	178.3	-71.3	-179.2	0	0	0	112.6	I501 V502 L508 N509 H517 L520 D590 V594 V659	I501-L505 HydrophobicContact CG2-CD1 4.18Å; I501-L505 HydrophobicContact CG2-CG 4.37Å; I501-L505 WeakPolarHBondContact O-CG 3.36Å; I501-L505 PolarHBondContact O-N 3.45Å; V502-L505 PolarHBondContact O-N 2.81Å; L505-L508 HydrophobicContact CD2-CD1 4.22Å; L505-L508 PolarHBondContact O-N 3.3Å; L505-N509 PolarHBondContact O-N 2.8Å; L505-N509 PolarHBondContact O-ND2 3.11Å; L505-H517 HydrophobicContact CD2-CB 4.43Å; L505-L520 HydrophobicContact CD1-CD1 3.81Å; L505-L520 HydrophobicContact CD2-CD1 3.75Å; L505-L520 HydrophobicContact CG-CD1 4.1Å; L505-D590 HydrophobicContact CD1-CB 3.96Å; L505-D590 HydrophobicContact CD2-CB 3.92Å; L505-V594 HydrophobicContact CD1-CG2 3.66Å; L505-V659 HydrophobicContact CB-CG1 3.86Å
506	K	98.2	Very high	96.4	Very high	79 Å²	79	39.3 Å²	39.3	34%	0.343	19%	0.188	S	C	.	.	H	α-helix	trans	-58	-50.4	173.7	179	178.3	173	176.1	0	110.3	V502 A504 L508 N509 E510 A663	V502-K506 WeakPolarHBondContact O-CB 3.05Å; V502-K506 PolarHBondContact O-N 2.95Å; A504-K506 VanDerWaalsContact C-N 3.34Å; A504-K506 PolarHBondContact O-N 2.76Å; K506-L508 VanDerWaalsContact C-N 3.35Å; K506-L508 PolarHBondContact O-N 2.85Å; K506-N509 CarbonylContact O-C 3.6Å; K506-N509 PolarHBondContact O-N 2.92Å; K506-E510 WeakPolarHBondContact CE-OE1 3.16Å; K506-E510 HydrophobicContact CG-CG 4.4Å; K506-E510 IonicContact NZ-OE1 3.06Å; K506-E510 WeakPolarHBondContact O-CG 3.14Å; K506-E510 PolarHBondContact O-N 2.85Å; K506-A663 HydrophobicContact CB-CB 4.19Å; K506-A663 HydrophobicContact CD-CB 3.9Å; K506-A663 HydrophobicContact CG-CB 4.32Å
507	Y	98.4	Very high	96.4	Very high	43 Å²	43	37.5 Å²	37.5	17%	0.169	18%	0.175	C	C	.	.	H	α-helix	trans	-55.5	-47.4	175.1	167.4	-97	0	0	0	112.1	L448 D449 H450 I453 N503 A504 N509 E510 I511	L448-Y507 HydrophobicContact CB-CE1 4.35Å; L448-Y507 HydrophobicContact CD2-CE1 4.05Å; D449-Y507 PolarHBondContact N-OH 3.24Å; H450-Y507 HydrophobicContact CB-CD1 3.69Å; H450-Y507 HydrophobicContact CB-CD2 4.27Å; H450-Y507 HydrophobicContact CB-CE1 3.84Å; H450-Y507 HydrophobicContact CB-CE2 4.41Å; H450-Y507 HydrophobicContact CB-CG 3.91Å; H450-Y507 AromaticContact CD2-CG 3.76Å; H450-Y507 AromaticContact CG-CG 3.92Å; I453-Y507 HydrophobicContact CD1-CD1 3.59Å; I453-Y507 HydrophobicContact CD1-CE1 3.85Å; N503-Y507 PolarHBondContact O-N 3.5Å; A504-Y507 WeakPolarHBondContact O-CB 3.3Å; A504-Y507 PolarHBondContact O-N 3.48Å; Y507-N509 PolarHBondContact O-N 2.88Å; Y507-N509 VanDerWaalsContact O-N 3.17Å; Y507-E510 PolarHBondContact O-N 3.37Å; Y507-I511 HydrophobicContact CD2-CG2 4.18Å; Y507-I511 HydrophobicContact CE1-CG2 4.08Å; Y507-I511 HydrophobicContact CE2-CG2 3.67Å; Y507-I511 PolarHBondContact O-N 2.82Å; Y507-I511 VanDerWaalsContact O-N 3.1Å
508	L	97.4	Very high	96.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.2	-26.1	177.6	-68.6	177.2	0	0	0	113.8	L448 I453 A504 L505 K506 I511 I515 H517 I538 F541	L448-L508 HydrophobicContact CD1-CD2 3.83Å; L448-L508 HydrophobicContact CD2-CD2 3.88Å; L448-L508 HydrophobicContact CG-CD2 4.5Å; I453-L508 HydrophobicContact CD1-CD2 3.79Å; I453-L508 HydrophobicContact CD1-CG 4.05Å; A504-L508 WeakPolarHBondContact O-CG 3.37Å; A504-L508 PolarHBondContact O-N 3.25Å; L505-L508 HydrophobicContact CD2-CD1 4.22Å; L505-L508 PolarHBondContact O-N 3.3Å; K506-L508 VanDerWaalsContact C-N 3.35Å; K506-L508 PolarHBondContact O-N 2.85Å; L508-I511 HydrophobicContact CD2-CD1 4.23Å; L508-I511 VanDerWaalsContact O-CG1 3.24Å; L508-I511 WeakPolarHBondContact O-CG1 3.34Å; L508-I515 HydrophobicContact CB-CB 4.43Å; L508-I515 HydrophobicContact CD2-CB 4.38Å; L508-I515 PolarHBondContact O-N 2.93Å; L508-H517 HydrophobicContact CD1-CB 4.44Å; L508-I538 HydrophobicContact CD1-CD1 4.09Å; L508-F541 HydrophobicContact CD1-CE1 3.92Å; L508-F541 HydrophobicContact CD2-CE1 3.94Å
509	N	96.2	Very high	96.1	Very high	10 Å²	10	38 Å²	38	5%	0.053	18%	0.178	C	C	.	.	H	α-helix	trans	-91.2	-14.4	176.8	-80.5	-99.7	0	0	0	113.4	L505 K506 Y507 N587 V659	L505-N509 PolarHBondContact O-N 2.8Å; L505-N509 PolarHBondContact O-ND2 3.11Å; K506-N509 CarbonylContact O-C 3.6Å; K506-N509 PolarHBondContact O-N 2.92Å; Y507-N509 PolarHBondContact O-N 2.88Å; Y507-N509 VanDerWaalsContact O-N 3.17Å; N509-N587 WeakPolarHBondContact OD1-CB 3.36Å; N509-N587 PolarHBondContact OD1-ND2 2.93Å; N509-V659 HydrophobicContact CB-CG1 4.32Å
510	E	95.6	Very high	96.1	Very high	113 Å²	113	35.5 Å²	35.5	53%	0.528	17%	0.166	S	C	.	.	H	α-helix	trans	-91.8	-27.1	177.7	-74.3	175.9	162.6	0	0	112.9	K506 Y507	K506-E510 WeakPolarHBondContact CE-OE1 3.16Å; K506-E510 HydrophobicContact CG-CG 4.4Å; K506-E510 IonicContact NZ-OE1 3.06Å; K506-E510 WeakPolarHBondContact O-CG 3.14Å; K506-E510 PolarHBondContact O-N 2.85Å; Y507-E510 PolarHBondContact O-N 3.37Å
511	I	93.8	Very high	96.1	Very high	36 Å²	36	36.5 Å²	36.5	19%	0.185	17%	0.17	C	C	.	.	S	Bend	trans	-65.3	155.1	172.5	60	175.1	0	0	0	111.4	L448 Y507 L508 P513 P514 I515	L448-I511 HydrophobicContact CD2-CD1 3.45Å; L448-I511 VanDerWaalsContact CD2-CD1 3.45Å; Y507-I511 HydrophobicContact CD2-CG2 4.18Å; Y507-I511 HydrophobicContact CE1-CG2 4.08Å; Y507-I511 HydrophobicContact CE2-CG2 3.67Å; Y507-I511 PolarHBondContact O-N 2.82Å; Y507-I511 VanDerWaalsContact O-N 3.1Å; L508-I511 HydrophobicContact CD2-CD1 4.23Å; L508-I511 VanDerWaalsContact O-CG1 3.24Å; L508-I511 WeakPolarHBondContact O-CG1 3.34Å; I511-P513 CarbonylContact O-C 3.46Å; I511-P513 VanDerWaalsContact O-C 3.26Å; I511-P514 WeakPolarHBondContact O-CA 3.29Å; I511-P514 VanDerWaalsContact O-N 3.11Å; I511-I515 HydrophobicContact CD1-CB 4.41Å; I511-I515 HydrophobicContact CD1-CD1 3.53Å; I511-I515 HydrophobicContact CD1-CG1 3.76Å; I511-I515 HydrophobicContact CG1-CG1 4.39Å
512	R	90.3	Very high	96	Very high	239 Å²	239	36.5 Å²	36.5	90%	0.902	17%	0.17	S	C	*	.	S	Bend	trans	-118.9	125	177.9	-68.7	-157.5	-176.9	-175.9	1.9	111.5
513	P	91.1	Very high	95.8	Very high	61 Å²	61	37.7 Å²	37.7	40%	0.396	18%	0.182	S	C	.	.	S	Bend	cis	-68.2	149	-7.2	28	-35.2	0	0	0	113.1	I511 I546 D548	I511-P513 CarbonylContact O-C 3.46Å; I511-P513 VanDerWaalsContact O-C 3.26Å; P513-I546 HydrophobicContact CB-CG2 3.61Å; P513-I546 HydrophobicContact CG-CG2 3.28Å; P513-D548 HydrophobicContact CB-CB 4.3Å
514	P	93.6	Very high	95.7	Very high	39 Å²	39	34.2 Å²	34.2	25%	0.253	16%	0.164	S	C	.	.			trans	-60	152.8	175.3	-27.5	36.6	0	0	0	113.5	I511 M547	I511-P514 WeakPolarHBondContact O-CA 3.29Å; I511-P514 VanDerWaalsContact O-N 3.11Å; P514-M547 HydrophobicContact CB-CB 4.32Å; P514-M547 HydrophobicContact CB-CE 3.48Å; P514-M547 VanDerWaalsContact CB-CE 3.48Å; P514-M547 WeakPolarHBondContact CD-O 3.37Å; P514-M547 PolarHBondContact O-N 2.56Å
515	I	94.4	Very high	95.7	Very high	9 Å²	9	34.2 Å²	34.2	5%	0.046	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.4	-173.7	-54.6	-171.7	0	0	0	111	I444 L448 L508 I511 K545	I444-I515 HydrophobicContact CB-CD1 4.48Å; I444-I515 HydrophobicContact CG2-CD1 3.57Å; I444-I515 HydrophobicContact CG2-CG2 4.32Å; L448-I515 HydrophobicContact CD2-CD1 4.17Å; L508-I515 HydrophobicContact CB-CB 4.43Å; L508-I515 HydrophobicContact CD2-CB 4.38Å; L508-I515 PolarHBondContact O-N 2.93Å; I511-I515 HydrophobicContact CD1-CB 4.41Å; I511-I515 HydrophobicContact CD1-CD1 3.53Å; I511-I515 HydrophobicContact CD1-CG1 3.76Å; I511-I515 HydrophobicContact CG1-CG1 4.39Å; I515-K545 WeakPolarHBondContact CA-O 3.33Å
516	I	95.2	Very high	95.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.3	166.7	-50.1	172	0	0	0	107.6	S544 K545 M547 M558 I585 S586 V589 D590	I516-S544 CarbonylContact O-C 3.51Å; I516-S544 WeakPolarHBondContact O-CA 3.48Å; I516-S544 VanDerWaalsContact O-CB 3.25Å; I516-S544 WeakPolarHBondContact O-CB 3.29Å; I516-K545 HydrophobicContact CB-CB 4.2Å; I516-K545 HydrophobicContact CD1-CB 4.37Å; I516-K545 PolarHBondContact N-O 3.38Å; I516-K545 PolarHBondContact O-N 3.42Å; I516-M547 HydrophobicContact CD1-CE 4.41Å; I516-M547 HydrophobicContact CD1-CG 3.96Å; I516-M547 HydrophobicContact CD1-SD 3.66Å; I516-M547 HydrophobicContact CG1-CE 3.71Å; I516-M547 HydrophobicContact CG1-CG 4.02Å; I516-M547 HydrophobicContact CG1-SD 3.63Å; I516-M558 HydrophobicContact CD1-SD 4Å; I516-I585 HydrophobicContact CD1-CD1 4.31Å; I516-S586 VanDerWaalsContact CD1-C 3.46Å; I516-V589 HydrophobicContact CG2-CB 4.43Å; I516-D590 WeakPolarHBondContact CG2-OD2 3.27Å
517	H	95.9	Very high	95.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.			trans	-67.7	-43.7	178.2	-172.6	-71.1	0	0	0	111.5	L505 L508 D519 L520 T539 D540 F541 S544 D590	L505-H517 HydrophobicContact CD2-CB 4.43Å; L508-H517 HydrophobicContact CD1-CB 4.44Å; H517-D519 PolarHBondContact ND1-N 2.88Å; H517-D519 PolarHBondContact O-N 3.34Å; H517-L520 HydrophobicContact CB-CG 4.08Å; H517-L520 PolarHBondContact ND1-N 2.94Å; H517-T539 PolarHBondContact NE2-O 3.4Å; H517-T539 VanDerWaalsContact NE2-O 3.12Å; H517-D540 PolarHBondContact CE1-O 2.76Å; H517-F541 AromaticContact CD2-CE1 3.76Å; H517-S544 WeakPolarHBondContact O-CA 3.3Å; H517-S544 PolarHBondContact O-OG 3.15Å; H517-D590 PolarHBondContact N-OD2 2.96Å
518	Y	95.3	Very high	95.2	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	16%	0.156	C	C	.	.			trans	69.6	-24.9	173.7	-167	-92.6	0	0	0	116.6	L543 L560 L571 I585 V589 D590	Y518-L543 HydrophobicContact CD1-CB 4.06Å; Y518-L560 HydrophobicContact CE1-CD1 4.45Å; Y518-L560 HydrophobicContact CE2-CD1 3.64Å; Y518-L560 WeakPolarHBondContact OH-CD1 3.5Å; Y518-L560 WeakPolarHBondContact OH-CD2 3.34Å; Y518-L571 HydrophobicContact CE1-CD2 4.29Å; Y518-L571 HydrophobicContact CE2-CD2 4.46Å; Y518-L571 WeakPolarHBondContact O-CD2 3.18Å; Y518-I585 HydrophobicContact CD2-CD1 3.96Å; Y518-I585 HydrophobicContact CE2-CD1 3.93Å; Y518-V589 HydrophobicContact CD2-CG1 3.96Å; Y518-V589 HydrophobicContact CE2-CG1 4.29Å; Y518-D590 PolarHBondContact N-OD1 3.37Å
519	D	94.7	Very high	94.6	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.053	18%	0.183	C	C	.	.			trans	-121.2	43.2	174.4	-162.4	42.2	0	0	0	113	H517 K521 N524 L543 T567	H517-D519 PolarHBondContact ND1-N 2.88Å; H517-D519 PolarHBondContact O-N 3.34Å; D519-K521 PolarHBondContact O-N 3.41Å; D519-K521 IonicContact OD1-NZ 3.94Å; D519-K521 IonicContact OD2-NZ 3.51Å; D519-K521 PolarHBondContact OD2-NZ 2.9Å; D519-N524 PolarHBondContact O-ND2 2.84Å; D519-N524 PolarHBondContact OD2-ND2 2.87Å; D519-L543 HydrophobicContact CB-CB 4.2Å; D519-L543 HydrophobicContact CB-CD1 3.96Å; D519-T567 PolarHBondContact OD1-N 3.41Å; D519-T567 PolarHBondContact OD1-OG1 3.45Å
520	L	97.8	Very high	93.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.			trans	-68.8	123.6	172.7	-88.5	-173.5	0	0	0	110.9	I501 L505 H517 I538 Y570 D590 V594 I597	I501-L520 HydrophobicContact CG2-CD1 4.07Å; L505-L520 HydrophobicContact CD1-CD1 3.81Å; L505-L520 HydrophobicContact CD2-CD1 3.75Å; L505-L520 HydrophobicContact CG-CD1 4.1Å; H517-L520 HydrophobicContact CB-CG 4.08Å; H517-L520 PolarHBondContact ND1-N 2.94Å; L520-I538 HydrophobicContact CD2-CB 4.47Å; L520-I538 HydrophobicContact CD2-CG2 4.2Å; L520-Y570 WeakPolarHBondContact O-CB 3.24Å; L520-D590 HydrophobicContact CD1-CB 4.31Å; L520-V594 HydrophobicContact CD1-CG2 4.42Å; L520-I597 HydrophobicContact CB-CD1 4.26Å
521	K	97.3	Very high	93.3	Very high	42 Å²	42	35.2 Å²	35.2	18%	0.183	19%	0.191	C	C	.	.			trans	-157.6	163.6	178	66.9	-160.7	-178.7	-156.7	0	110.4	D519 G523 N524 T567 Y570	D519-K521 PolarHBondContact O-N 3.41Å; D519-K521 IonicContact OD1-NZ 3.94Å; D519-K521 IonicContact OD2-NZ 3.51Å; D519-K521 PolarHBondContact OD2-NZ 2.9Å; K521-G523 PolarHBondContact O-N 2.86Å; K521-G523 VanDerWaalsContact O-N 3.14Å; K521-N524 WeakPolarHBondContact CE-ND2 3.49Å; K521-N524 HydrophobicContact CG-CB 4.17Å; K521-N524 PolarHBondContact O-N 2.87Å; K521-T567 HydrophobicContact CD-CG2 4.19Å; K521-T567 WeakPolarHBondContact CD-OG1 3.34Å; K521-T567 PolarHBondContact NZ-OG1 3.01Å; K521-T567 VanDerWaalsContact NZ-OG1 3.09Å; K521-Y570 HydrophobicContact CB-CD1 4.47Å; K521-Y570 HydrophobicContact CB-CD2 3.69Å; K521-Y570 HydrophobicContact CB-CE1 4.48Å; K521-Y570 HydrophobicContact CB-CE2 3.69Å; K521-Y570 HydrophobicContact CB-CG 4.1Å
522	P	97.6	Very high	92.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-55.1	-33.2	178.9	-27.9	37.1	0	0	0	114.3	L479 D480 L483 N524 I525 Y570 I597	L479-P522 HydrophobicContact CB-CB 4.03Å; L479-P522 WeakPolarHBondContact CB-O 3.41Å; L479-P522 HydrophobicContact CD2-CB 4.19Å; L479-P522 HydrophobicContact CG-CB 4Å; L479-P522 PolarHBondContact N-O 3.35Å; D480-P522 HydrophobicContact CB-CB 3.92Å; D480-P522 PolarHBondContact N-O 3.31Å; L483-P522 HydrophobicContact CD1-CB 4.3Å; L483-P522 HydrophobicContact CD1-CG 4.3Å; P522-N524 PolarHBondContact O-N 2.95Å; P522-I525 PolarHBondContact O-N 2.64Å; P522-Y570 VanDerWaalsContact CD-CE1 3.42Å; P522-Y570 VanDerWaalsContact CD-OH 3.23Å; P522-Y570 WeakPolarHBondContact CD-OH 3.45Å; P522-Y570 HydrophobicContact CG-CE1 4.14Å; P522-I597 HydrophobicContact CG-CG1 4.43Å
523	G	94.9	Very high	92.4	Very high	26 Å²	26	26.8 Å²	26.8	27%	0.268	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-66.9	-17.1	175.8	0	0	0	0	0	114.9	K521	K521-G523 PolarHBondContact O-N 2.86Å; K521-G523 VanDerWaalsContact O-N 3.14Å
524	N	96.3	Very high	92.4	Very high	10 Å²	10	24.7 Å²	24.7	5%	0.053	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-104.4	12.6	179.9	-69.7	-2.2	0	0	0	112.1	D519 K521 P522 I538 T539	D519-N524 PolarHBondContact O-ND2 2.84Å; D519-N524 PolarHBondContact OD2-ND2 2.87Å; K521-N524 WeakPolarHBondContact CE-ND2 3.49Å; K521-N524 HydrophobicContact CG-CB 4.17Å; K521-N524 PolarHBondContact O-N 2.87Å; P522-N524 PolarHBondContact O-N 2.95Å; N524-I538 WeakPolarHBondContact O-CA 3.37Å; N524-T539 PolarHBondContact O-N 2.85Å
525	I	98.2	Very high	92.4	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	106	177.2	-62.9	157	0	0	0	107.7	D478 L479 I501 P522 I536 I538 I597	D478-I525 CarbonylContact C-O 3.39Å; D478-I525 VanDerWaalsContact CA-O 3.27Å; D478-I525 WeakPolarHBondContact CA-O 3.49Å; L479-I525 HydrophobicContact CB-CB 4.06Å; L479-I525 HydrophobicContact CB-CG2 4.2Å; L479-I525 HydrophobicContact CD2-CB 4.38Å; L479-I525 HydrophobicContact CD2-CD1 3.91Å; L479-I525 HydrophobicContact CD2-CG2 4.29Å; L479-I525 PolarHBondContact N-O 3.13Å; I501-I525 HydrophobicContact CD1-CD1 3.5Å; I501-I525 HydrophobicContact CD1-CG1 4.18Å; I501-I525 HydrophobicContact CG1-CD1 4.31Å; I501-I525 HydrophobicContact CG1-CG1 4.49Å; P522-I525 PolarHBondContact O-N 2.64Å; I525-I536 HydrophobicContact CG2-CB 4.02Å; I525-I536 HydrophobicContact CG2-CD1 4.41Å; I525-I536 HydrophobicContact CG2-CG1 4.44Å; I525-I536 HydrophobicContact CG2-CG2 4.31Å; I525-I538 HydrophobicContact CG1-CG2 4.43Å; I525-I597 HydrophobicContact CD1-CD1 3.99Å; I525-I597 HydrophobicContact CD1-CG2 4.16Å
526	L	97.2	Very high	92.6	Very high	33 Å²	33	26.5 Å²	26.5	17%	0.173	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.1	-178.8	-54.3	-176	0	0	0	110.1	V454 C474 D478 V528 I536 K537 T539	V454-L526 HydrophobicContact CG2-CD1 3.75Å; C474-L526 HydrophobicContact CB-CB 4.1Å; C474-L526 HydrophobicContact CB-CD1 3.88Å; D478-L526 HydrophobicContact CB-CD2 4.03Å; L526-V528 PolarHBondContact O-N 3.05Å; L526-I536 CarbonylContact O-C 3.57Å; L526-I536 VanDerWaalsContact O-CA 3.22Å; L526-I536 WeakPolarHBondContact O-CA 3.45Å; L526-K537 PolarHBondContact N-O 2.85Å; L526-K537 PolarHBondContact O-N 3.47Å; L526-T539 HydrophobicContact CD1-CG2 4.24Å; L526-T539 HydrophobicContact CD2-CG2 4.4Å; L526-T539 HydrophobicContact CG-CG2 4.14Å
527	L	95.9	Very high	92.8	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	99.1	171.8	-55.4	-179.6	0	0	0	107.9	G476 N477 Y482 I497 N529 G530 I536	G476-L527 CarbonylContact C-O 3.47Å; G476-L527 WeakPolarHBondContact CA-O 3.36Å; N477-L527 WeakPolarHBondContact O-CB 3.08Å; N477-L527 PolarHBondContact O-N 3.38Å; Y482-L527 HydrophobicContact CD2-CD1 3.64Å; Y482-L527 HydrophobicContact CG-CD1 3.74Å; I497-L527 HydrophobicContact CD1-CD2 4.41Å; L527-N529 VanDerWaalsContact C-N 3.27Å; L527-N529 PolarHBondContact O-N 3Å; L527-N529 VanDerWaalsContact O-N 3.12Å; L527-G530 PolarHBondContact O-N 3.33Å; L527-I536 HydrophobicContact CD2-CG2 3.57Å
528	V	91.3	Very high	92.9	Very high	26 Å²	26	27.1 Å²	27.1	16%	0.158	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-42.6	-165.3	-179.8	0	0	0	0	112.5	E475 G476 L526 E535 K537	E475-V528 PolarHBondContact N-O 3.09Å; G476-V528 PolarHBondContact N-O 3.31Å; L526-V528 PolarHBondContact O-N 3.05Å; V528-E535 HydrophobicContact CB-CB 4.31Å; V528-E535 HydrophobicContact CG2-CB 4.19Å; V528-E535 PolarHBondContact N-O 3.49Å; V528-K537 HydrophobicContact CG2-CB 4.43Å; V528-K537 HydrophobicContact CG2-CD 3.83Å; V528-K537 HydrophobicContact CG2-CG 3.94Å
529	N	83.6	Confident	92.8	Very high	104 Å²	104	28 Å²	28	56%	0.556	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	16.5	-179.9	-56.5	79.4	0	0	0	112.9	L527 T531	L527-N529 VanDerWaalsContact C-N 3.27Å; L527-N529 PolarHBondContact O-N 3Å; L527-N529 VanDerWaalsContact O-N 3.12Å; N529-T531 PolarHBondContact O-N 3.49Å
530	G	81	Confident	92.5	Very high	36 Å²	36	29.6 Å²	29.6	37%	0.371	18%	0.182	S	C	.	.	S	Bend	trans	70.2	11	177.5	0	0	0	0	0	115.8	L527	L527-G530 PolarHBondContact O-N 3.33Å
531	T	84.3	Confident	92.1	Very high	63 Å²	63	29.6 Å²	29.6	39%	0.387	18%	0.182	S	C	.	.			trans	-117.6	138.8	179.7	59.4	0	0	0	0	111.2	N529 C533 G534	N529-T531 PolarHBondContact O-N 3.49Å; T531-C533 PolarHBondContact O-N 3.47Å; T531-G534 PolarHBondContact O-N 3.02Å; T531-G534 VanDerWaalsContact O-N 3.09Å; T531-G534 PolarHBondContact OG1-N 3.36Å
532	A	79.8	Confident	91.4	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.017	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-20	178.1	0	0	0	0	0	113.2	Y482 M489 E493 I497 G534	Y482-A532 HydrophobicContact CE1-CB 4.04Å; Y482-A532 HydrophobicContact CE2-CB 4.17Å; M489-A532 HydrophobicContact CE-CB 4.45Å; E493-A532 HydrophobicContact CB-CB 4.19Å; E493-A532 HydrophobicContact CG-CB 4.31Å; I497-A532 HydrophobicContact CD1-CB 4.2Å; A532-G534 VanDerWaalsContact C-N 3.34Å
533	C	85.3	Confident	90.7	Very high	96 Å²	96	29.8 Å²	29.8	65%	0.649	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-5	172.6	59.4	0	0	0	0	113.7	T531	T531-C533 PolarHBondContact O-N 3.47Å
534	G	90.1	Very high	90.5	Very high	18 Å²	18	28.6 Å²	28.6	19%	0.186	18%	0.179	C	C	.	.	S	Bend	trans	-88.7	-164.1	-178.1	0	0	0	0	0	113.9	Q500 T531 A532	Q500-G534 PolarHBondContact NE2-O 2.93Å; T531-G534 PolarHBondContact O-N 3.02Å; T531-G534 VanDerWaalsContact O-N 3.09Å; T531-G534 PolarHBondContact OG1-N 3.36Å; A532-G534 VanDerWaalsContact C-N 3.34Å
535	E	95.4	Very high	90.1	Very high	86 Å²	86	28.5 Å²	28.5	40%	0.402	18%	0.178	S	C	.	.			trans	-77.7	142.8	177	-59.3	-154.9	148.5	0	0	111.9	R452 V528	R452-E535 IonicContact CZ-OE1 3.78Å; R452-E535 IonicContact CZ-OE2 2.76Å; R452-E535 IonicContact NH1-OE1 3.79Å; R452-E535 PolarHBondContact NH1-OE1 3.27Å; R452-E535 IonicContact NH1-OE2 3.43Å; R452-E535 PolarHBondContact NH1-OE2 3.03Å; R452-E535 VanDerWaalsContact NH2-CD 3.28Å; R452-E535 IonicContact NH2-OE1 2.74Å; R452-E535 PolarHBondContact NH2-OE1 3.19Å; R452-E535 IonicContact NH2-OE2 2.59Å; V528-E535 HydrophobicContact CB-CB 4.31Å; V528-E535 HydrophobicContact CG2-CB 4.19Å; V528-E535 PolarHBondContact N-O 3.49Å
536	I	97.9	Very high	89.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	153.8	169.9	69.9	82.8	0	0	0	111.5	R452 I497 Q500 I501 I525 L526 L527 I538	R452-I536 WeakPolarHBondContact CD-O 3.28Å; I497-I536 HydrophobicContact CG1-CG2 4.13Å; Q500-I536 HydrophobicContact CB-CD1 3.71Å; Q500-I536 HydrophobicContact CB-CG1 3.42Å; Q500-I536 VanDerWaalsContact CB-CG1 3.42Å; Q500-I536 HydrophobicContact CG-CG1 4.27Å; I501-I536 HydrophobicContact CG1-CD1 3.9Å; I525-I536 HydrophobicContact CG2-CB 4.02Å; I525-I536 HydrophobicContact CG2-CD1 4.41Å; I525-I536 HydrophobicContact CG2-CG1 4.44Å; I525-I536 HydrophobicContact CG2-CG2 4.31Å; L526-I536 CarbonylContact O-C 3.57Å; L526-I536 VanDerWaalsContact O-CA 3.22Å; L526-I536 WeakPolarHBondContact O-CA 3.45Å; L527-I536 HydrophobicContact CD2-CG2 3.57Å; I536-I538 HydrophobicContact CD1-CG2 4.34Å
537	K	98.4	Very high	89	Confident	13 Å²	13	29.1 Å²	29.1	6%	0.057	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.8	168.5	-73.7	170.8	173	-94.4	0	110.1	P451 R452 I453 V454 E472 L526 V528	P451-K537 WeakPolarHBondContact O-CE 3.34Å; P451-K537 WeakPolarHBondContact O-CG 3.1Å; P451-K537 PolarHBondContact O-NZ 3.48Å; R452-K537 CarbonylContact O-C 3.54Å; R452-K537 WeakPolarHBondContact O-CA 3.45Å; I453-K537 PolarHBondContact O-NZ 3.28Å; V454-K537 HydrophobicContact CG2-CB 3.78Å; V454-K537 HydrophobicContact CG2-CD 4.49Å; E472-K537 VanDerWaalsContact CD-NZ 3.26Å; E472-K537 WeakPolarHBondContact OE1-CE 3.24Å; E472-K537 IonicContact OE1-NZ 3.4Å; E472-K537 PolarHBondContact OE1-NZ 3.15Å; E472-K537 IonicContact OE2-NZ 3.98Å; E472-K537 PolarHBondContact OE2-NZ 3.43Å; L526-K537 PolarHBondContact N-O 2.85Å; L526-K537 PolarHBondContact O-N 3.47Å; V528-K537 HydrophobicContact CG2-CB 4.43Å; V528-K537 HydrophobicContact CG2-CD 3.83Å; V528-K537 HydrophobicContact CG2-CG 3.94Å
538	I	98	Very high	88.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	149.2	170.9	69.1	172.2	0	0	0	110.4	R452 I453 V454 I501 A504 L508 L520 N524 I525 I536 F541	R452-I538 WeakPolarHBondContact O-CG1 3.46Å; R452-I538 PolarHBondContact O-N 2.79Å; I453-I538 HydrophobicContact CB-CG1 4.42Å; I453-I538 HydrophobicContact CD1-CD1 4.48Å; I453-I538 HydrophobicContact CG1-CD1 4.04Å; I453-I538 HydrophobicContact CG1-CG1 3.77Å; V454-I538 PolarHBondContact N-O 2.93Å; I501-I538 HydrophobicContact CG1-CG2 4.46Å; A504-I538 HydrophobicContact CB-CD1 3.63Å; A504-I538 HydrophobicContact CB-CG1 4.06Å; L508-I538 HydrophobicContact CD1-CD1 4.09Å; L520-I538 HydrophobicContact CD2-CB 4.47Å; L520-I538 HydrophobicContact CD2-CG2 4.2Å; N524-I538 WeakPolarHBondContact O-CA 3.37Å; I525-I538 HydrophobicContact CG1-CG2 4.43Å; I536-I538 HydrophobicContact CD1-CG2 4.34Å; I538-F541 HydrophobicContact CD1-CZ 4.28Å; I538-F541 HydrophobicContact CG1-CZ 4.37Å
539	T	94.5	Very high	87.8	Confident	20 Å²	20	38.4 Å²	38.4	12%	0.123	23%	0.23	C	C	.	.			trans	-146.2	175.9	-178.1	-165.4	0	0	0	0	111.4	H517 N524 L526	H517-T539 PolarHBondContact NE2-O 3.4Å; H517-T539 VanDerWaalsContact NE2-O 3.12Å; N524-T539 PolarHBondContact O-N 2.85Å; L526-T539 HydrophobicContact CD1-CG2 4.24Å; L526-T539 HydrophobicContact CD2-CG2 4.4Å; L526-T539 HydrophobicContact CG-CG2 4.14Å
540	D	88.6	Confident	87.4	Confident	42 Å²	42	41.1 Å²	41.1	23%	0.225	24%	0.244	C	C	.	.			trans	68.9	77.6	174.9	-159	25.1	0	0	0	114.6	K418 H517 G542	K418-D540 IonicContact NZ-OD1 3.51Å; K418-D540 PolarHBondContact NZ-OD1 3.35Å; H517-D540 PolarHBondContact CE1-O 2.76Å; D540-G542 VanDerWaalsContact C-N 3.29Å; D540-G542 PolarHBondContact O-N 3.49Å
541	F	89.1	Confident	87	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	24%	0.243	C	C	.	.			trans	-88.4	13.8	179.2	-66.2	-93.7	0	0	0	113.6	E441 I444 H445 L448 I453 L508 H517 I538 L543 S544	E441-F541 HydrophobicContact CG-CB 4.47Å; I444-F541 HydrophobicContact CG2-CB 4.46Å; I444-F541 HydrophobicContact CG2-CD1 4.42Å; H445-F541 HydrophobicContact CB-CB 4.43Å; H445-F541 HydrophobicContact CB-CD2 4.24Å; H445-F541 HydrophobicContact CB-CG 4.48Å; H445-F541 AromaticContact CD2-CD2 3.7Å; H445-F541 AromaticContact CD2-CE2 3.74Å; H445-F541 AromaticContact CE1-CD2 3.7Å; H445-F541 AromaticContact CE1-CE2 3.95Å; H445-F541 AromaticContact CG-CD2 3.64Å; H445-F541 AromaticContact ND1-CD2 3.65Å; H445-F541 AromaticContact NE2-CD2 3.73Å; H445-F541 AromaticContact NE2-CE2 3.59Å; L448-F541 HydrophobicContact CD1-CD1 3.97Å; L448-F541 HydrophobicContact CD1-CD2 4.36Å; L448-F541 HydrophobicContact CD1-CE1 3.52Å; L448-F541 HydrophobicContact CD1-CE2 3.97Å; L448-F541 HydrophobicContact CD1-CG 4.38Å; L448-F541 HydrophobicContact CD1-CZ 3.53Å; I453-F541 HydrophobicContact CD1-CZ 4.35Å; I453-F541 HydrophobicContact CG2-CE2 3.71Å; I453-F541 HydrophobicContact CG2-CZ 3.65Å; L508-F541 HydrophobicContact CD1-CE1 3.92Å; L508-F541 HydrophobicContact CD2-CE1 3.94Å; H517-F541 AromaticContact CD2-CE1 3.76Å; I538-F541 HydrophobicContact CD1-CZ 4.28Å; I538-F541 HydrophobicContact CG1-CZ 4.37Å; F541-L543 PolarHBondContact O-N 3.35Å; F541-L543 VanDerWaalsContact O-N 3.12Å; F541-S544 VanDerWaalsContact CA-OG 3.27Å; F541-S544 WeakPolarHBondContact CA-OG 3.34Å; F541-S544 WeakPolarHBondContact CB-OG 3.3Å; F541-S544 WeakPolarHBondContact CD1-OG 3.35Å; F541-S544 VanDerWaalsContact O-CB 3.32Å; F541-S544 WeakPolarHBondContact O-CB 3.21Å; F541-S544 PolarHBondContact O-N 3.32Å; F541-S544 PolarHBondContact O-OG 3.02Å
542	G	82.9	Confident	86.7	Confident	26 Å²	26	42 Å²	42	27%	0.268	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.1	-173.8	0	0	0	0	0	115.5	E441 D540	E441-G542 VanDerWaalsContact OE2-CA 3.24Å; E441-G542 WeakPolarHBondContact OE2-CA 3.09Å; D540-G542 VanDerWaalsContact C-N 3.29Å; D540-G542 PolarHBondContact O-N 3.49Å
543	L	82.9	Confident	86.6	Confident	21 Å²	21	45.6 Å²	45.6	11%	0.11	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	3.7	174.9	-63.1	-177.8	0	0	0	113.5	Y518 D519 F541 A565	Y518-L543 HydrophobicContact CD1-CB 4.06Å; D519-L543 HydrophobicContact CB-CB 4.2Å; D519-L543 HydrophobicContact CB-CD1 3.96Å; F541-L543 PolarHBondContact O-N 3.35Å; F541-L543 VanDerWaalsContact O-N 3.12Å; L543-A565 HydrophobicContact CD1-CB 4.4Å; L543-A565 HydrophobicContact CD2-CB 4.17Å
544	S	89.8	Confident	86.1	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.007	26%	0.259	C	S	.	.			trans	-64	153.1	-174	-59.3	0	0	0	0	112.8	R440 I516 H517 F541	R440-S544 PolarHBondContact NH1-O 3.41Å; I516-S544 CarbonylContact O-C 3.51Å; I516-S544 WeakPolarHBondContact O-CA 3.48Å; I516-S544 VanDerWaalsContact O-CB 3.25Å; I516-S544 WeakPolarHBondContact O-CB 3.29Å; H517-S544 WeakPolarHBondContact O-CA 3.3Å; H517-S544 PolarHBondContact O-OG 3.15Å; F541-S544 VanDerWaalsContact CA-OG 3.27Å; F541-S544 WeakPolarHBondContact CA-OG 3.34Å; F541-S544 WeakPolarHBondContact CB-OG 3.3Å; F541-S544 WeakPolarHBondContact CD1-OG 3.35Å; F541-S544 VanDerWaalsContact O-CB 3.32Å; F541-S544 WeakPolarHBondContact O-CB 3.21Å; F541-S544 PolarHBondContact O-N 3.32Å; F541-S544 PolarHBondContact O-OG 3.02Å
545	K	88.5	Confident	85.3	Confident	7 Å²	7	50.8 Å²	50.8	3%	0.03	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.4	-177.6	-53.3	-64.5	178.6	178.9	0	109.6	I515 I516 M558 T561 S562 I585	I515-K545 WeakPolarHBondContact CA-O 3.33Å; I516-K545 HydrophobicContact CB-CB 4.2Å; I516-K545 HydrophobicContact CD1-CB 4.37Å; I516-K545 PolarHBondContact N-O 3.38Å; I516-K545 PolarHBondContact O-N 3.42Å; K545-M558 HydrophobicContact CB-CE 3.91Å; K545-M558 HydrophobicContact CB-SD 3.64Å; K545-M558 HydrophobicContact CD-CE 4.43Å; K545-M558 HydrophobicContact CG-CE 4.42Å; K545-M558 HydrophobicContact CG-SD 4.39Å; K545-T561 PolarHBondContact NZ-OG1 2.84Å; K545-S562 PolarHBondContact NZ-OG 2.99Å; K545-I585 HydrophobicContact CG-CD1 4.25Å
546	I	87.8	Confident	84.2	Confident	38 Å²	38	50.5 Å²	50.5	20%	0.195	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127	171.8	-58.6	173.7	0	0	0	106.7	I444 P513 D548	I444-I546 HydrophobicContact CD1-CD1 3.79Å; I444-I546 HydrophobicContact CD1-CG1 3.61Å; I444-I546 HydrophobicContact CG1-CD1 3.64Å; I444-I546 HydrophobicContact CG1-CG1 3.76Å; P513-I546 HydrophobicContact CB-CG2 3.61Å; P513-I546 HydrophobicContact CG-CG2 3.28Å; I546-D548 HydrophobicContact CG2-CB 4.25Å
547	M	83.9	Confident	83.5	Confident	8 Å²	8	51.1 Å²	51.1	4%	0.039	29%	0.293	C	S	.	.			trans	-96.5	78.8	172.2	-66.6	-178.3	-69	0	0	107.9	P514 I516 Y552 M558 N587	P514-M547 HydrophobicContact CB-CB 4.32Å; P514-M547 HydrophobicContact CB-CE 3.48Å; P514-M547 VanDerWaalsContact CB-CE 3.48Å; P514-M547 WeakPolarHBondContact CD-O 3.37Å; P514-M547 PolarHBondContact O-N 2.56Å; I516-M547 HydrophobicContact CD1-CE 4.41Å; I516-M547 HydrophobicContact CD1-CG 3.96Å; I516-M547 HydrophobicContact CD1-SD 3.66Å; I516-M547 HydrophobicContact CG1-CE 3.71Å; I516-M547 HydrophobicContact CG1-CG 4.02Å; I516-M547 HydrophobicContact CG1-SD 3.63Å; M547-Y552 HydrophobicContact CB-CD1 4.21Å; M547-Y552 HydrophobicContact CB-CD2 4.06Å; M547-Y552 HydrophobicContact CB-CG 3.75Å; M547-Y552 HydrophobicContact CG-CD2 3.76Å; M547-Y552 HydrophobicContact CG-CE2 4.29Å; M547-Y552 HydrophobicContact CG-CG 4Å; M547-Y552 HydrophobicContact SD-CD2 3.7Å; M547-Y552 HydrophobicContact SD-CE2 3.58Å; M547-Y552 VanDerWaalsContact SD-CE2 3.58Å; M547-Y552 HydrophobicContact SD-CG 4.26Å; M547-M558 HydrophobicContact CG-SD 3.94Å; M547-N587 HydrophobicContact CE-CB 4.32Å
548	D	84	Confident	83	Confident	62 Å²	62	50.8 Å²	50.8	33%	0.332	29%	0.292	S	S	.	.			trans	-85.8	165.1	172.9	57.7	24.5	0	0	0	111.3	P513 I546 D550 S551 Y552	P513-D548 HydrophobicContact CB-CB 4.3Å; I546-D548 HydrophobicContact CG2-CB 4.25Å; D548-D550 PolarHBondContact O-N 3.16Å; D548-D550 VanDerWaalsContact O-N 3.16Å; D548-S551 PolarHBondContact O-N 3.12Å; D548-S551 WeakPolarHBondContact OD1-CB 3.44Å; D548-S551 PolarHBondContact OD1-N 2.81Å; D548-S551 PolarHBondContact OD1-OG 3.1Å; D548-Y552 WeakPolarHBondContact O-CB 3.35Å; D548-Y552 PolarHBondContact O-N 3.11Å
549	D	77.6	Confident	82.5	Confident	162 Å²	162	55.8 Å²	55.8	87%	0.866	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.7	-174.9	-64	-24.6	0	0	0	112.8
550	D	75.6	Confident	82	Confident	161 Å²	161	55.1 Å²	55.1	86%	0.861	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-34.4	178.7	-68.4	-29.1	0	0	0	112.6	D548	D548-D550 PolarHBondContact O-N 3.16Å; D548-D550 VanDerWaalsContact O-N 3.16Å
551	S	72.8	Confident	81.5	Confident	49 Å²	49	58.1 Å²	58.1	34%	0.343	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-17.1	-174.7	68	0	0	0	0	114.7	D548 M558	D548-S551 PolarHBondContact O-N 3.12Å; D548-S551 WeakPolarHBondContact OD1-CB 3.44Å; D548-S551 PolarHBondContact OD1-N 2.81Å; D548-S551 PolarHBondContact OD1-OG 3.1Å; S551-M558 VanDerWaalsContact O-CA 3.3Å; S551-M558 WeakPolarHBondContact O-CA 3.06Å; S551-M558 WeakPolarHBondContact O-CB 3.34Å
552	Y	78.6	Confident	81	Confident	69 Å²	69	59.5 Å²	59.5	27%	0.271	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.8	-174.1	-179.6	-97.2	0	0	0	112.6	M547 D548 M558	M547-Y552 HydrophobicContact CB-CD1 4.21Å; M547-Y552 HydrophobicContact CB-CD2 4.06Å; M547-Y552 HydrophobicContact CB-CG 3.75Å; M547-Y552 HydrophobicContact CG-CD2 3.76Å; M547-Y552 HydrophobicContact CG-CE2 4.29Å; M547-Y552 HydrophobicContact CG-CG 4Å; M547-Y552 HydrophobicContact SD-CD2 3.7Å; M547-Y552 HydrophobicContact SD-CE2 3.58Å; M547-Y552 VanDerWaalsContact SD-CE2 3.58Å; M547-Y552 HydrophobicContact SD-CG 4.26Å; D548-Y552 WeakPolarHBondContact O-CB 3.35Å; D548-Y552 PolarHBondContact O-N 3.11Å; Y552-M558 HydrophobicContact CD2-CB 4.03Å; Y552-M558 HydrophobicContact CD2-CG 4.41Å
553	N	77.9	Confident	81	Confident	77 Å²	77	60.5 Å²	60.5	41%	0.412	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.6	168	177.9	-12.8	0	0	0	109.4	V555 D556 G557	N553-V555 PolarHBondContact O-N 3.36Å; N553-V555 VanDerWaalsContact O-N 3.1Å; N553-V555 PolarHBondContact OD1-N 3.48Å; N553-D556 HydrophobicContact CB-CB 4.23Å; N553-D556 PolarHBondContact O-N 3.39Å; N553-G557 PolarHBondContact N-O 2.87Å; N553-G557 WeakPolarHBondContact O-CA 3.38Å; N553-G557 PolarHBondContact O-N 3.3Å
554	S	74.1	Confident	81	Confident	102 Å²	102	60.7 Å²	60.7	71%	0.713	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-27.4	177.7	63.8	0	0	0	0	114.8
555	V	72.1	Confident	80.8	Confident	121 Å²	121	61.5 Å²	61.5	73%	0.733	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-41.7	179.1	-178.4	0	0	0	0	111.6	N553	N553-V555 PolarHBondContact O-N 3.36Å; N553-V555 VanDerWaalsContact O-N 3.1Å; N553-V555 PolarHBondContact OD1-N 3.48Å
556	D	74.2	Confident	80.8	Confident	80 Å²	80	61.8 Å²	61.8	43%	0.428	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-24.7	-167.9	-88.7	-51.4	0	0	0	113.7	N553 K584	N553-D556 HydrophobicContact CB-CB 4.23Å; N553-D556 PolarHBondContact O-N 3.39Å; D556-K584 HydrophobicContact CB-CD 3.88Å; D556-K584 VanDerWaalsContact CB-NZ 3.35Å; D556-K584 WeakPolarHBondContact O-CB 3.45Å; D556-K584 WeakPolarHBondContact O-CD 3.45Å; D556-K584 IonicContact OD1-NZ 2.7Å; D556-K584 PolarHBondContact OD1-NZ 3.26Å; D556-K584 IonicContact OD2-NZ 3.07Å; D556-K584 PolarHBondContact OD2-NZ 2.97Å
557	G	82.6	Confident	81	Confident	13 Å²	13	61.1 Å²	61.1	13%	0.134	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	83.9	-164.6	-166.5	0	0	0	0	0	112.8	N553 I585	N553-G557 PolarHBondContact N-O 2.87Å; N553-G557 WeakPolarHBondContact O-CA 3.38Å; N553-G557 PolarHBondContact O-N 3.3Å; G557-I585 WeakPolarHBondContact CA-O 3.07Å
558	M	88.5	Confident	81.6	Confident	6 Å²	6	61 Å²	61	3%	0.03	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	153.3	171.5	66.9	173.4	-61.6	0	0	111.2	I516 K545 M547 S551 Y552 K584 I585	I516-M558 HydrophobicContact CD1-SD 4Å; K545-M558 HydrophobicContact CB-CE 3.91Å; K545-M558 HydrophobicContact CB-SD 3.64Å; K545-M558 HydrophobicContact CD-CE 4.43Å; K545-M558 HydrophobicContact CG-CE 4.42Å; K545-M558 HydrophobicContact CG-SD 4.39Å; M547-M558 HydrophobicContact CG-SD 3.94Å; S551-M558 VanDerWaalsContact O-CA 3.3Å; S551-M558 WeakPolarHBondContact O-CA 3.06Å; S551-M558 WeakPolarHBondContact O-CB 3.34Å; Y552-M558 HydrophobicContact CD2-CB 4.03Å; Y552-M558 HydrophobicContact CD2-CG 4.41Å; M558-K584 CarbonylContact O-C 3.57Å; M558-K584 VanDerWaalsContact O-CA 3.28Å; M558-K584 WeakPolarHBondContact O-CA 3.46Å; M558-I585 HydrophobicContact CG-CD1 4.39Å; M558-I585 HydrophobicContact CG-CG1 3.78Å; M558-I585 PolarHBondContact N-O 3.48Å; M558-I585 PolarHBondContact O-N 3.4Å
559	E	86.1	Confident	82.3	Confident	106 Å²	106	60.4 Å²	60.4	50%	0.495	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	137.4	175.6	-66.3	-176.6	-179.1	0	0	112.5	T561 P582	E559-T561 PolarHBondContact O-N 3.46Å; E559-P582 HydrophobicContact CB-CB 4.5Å; E559-P582 HydrophobicContact CB-CG 3.95Å; E559-P582 HydrophobicContact CG-CG 3.89Å; E559-P582 WeakPolarHBondContact OE2-CG 3.45Å
560	L	85.1	Confident	83.3	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.026	31%	0.309	C	S	.	.			trans	-75.7	94.9	174.3	177.6	54.1	0	0	0	110.5	Y518 S562 Q563 C575 P583 I585	Y518-L560 HydrophobicContact CE1-CD1 4.45Å; Y518-L560 HydrophobicContact CE2-CD1 3.64Å; Y518-L560 WeakPolarHBondContact OH-CD1 3.5Å; Y518-L560 WeakPolarHBondContact OH-CD2 3.34Å; L560-S562 PolarHBondContact O-N 2.9Å; L560-Q563 HydrophobicContact CD2-CB 4.04Å; L560-Q563 HydrophobicContact CD2-CG 4.12Å; L560-Q563 HydrophobicContact CG-CB 4.21Å; L560-C575 HydrophobicContact CD2-CB 4.17Å; L560-P583 HydrophobicContact CB-CB 4.32Å; L560-P583 VanDerWaalsContact CB-O 3.29Å; L560-P583 WeakPolarHBondContact CB-O 3.43Å; L560-P583 HydrophobicContact CD2-CG 4.45Å; L560-P583 PolarHBondContact N-O 3.2Å; L560-I585 HydrophobicContact CB-CD1 4.5Å; L560-I585 HydrophobicContact CB-CG1 4.48Å; L560-I585 HydrophobicContact CB-CG2 4.28Å; L560-I585 HydrophobicContact CD1-CD1 4.04Å
561	T	77.3	Confident	84.3	Confident	106 Å²	106	46 Å²	46	65%	0.65	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-13.2	-177.7	54.2	0	0	0	0	115.6	K545 E559	K545-T561 PolarHBondContact NZ-OG1 2.84Å; E559-T561 PolarHBondContact O-N 3.46Å
562	S	79.6	Confident	85.5	Confident	30 Å²	30	43.7 Å²	43.7	21%	0.21	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.9	55.7	-175.3	65.2	0	0	0	0	111.4	K545 L560 A565	K545-S562 PolarHBondContact NZ-OG 2.99Å; L560-S562 PolarHBondContact O-N 2.9Å; S562-A565 VanDerWaalsContact O-CB 3.29Å; S562-A565 WeakPolarHBondContact O-CB 3.41Å; S562-A565 PolarHBondContact O-N 3.24Å; S562-A565 VanDerWaalsContact O-N 3.11Å
563	Q	83.2	Confident	86.4	Confident	47 Å²	47	40.6 Å²	40.6	22%	0.22	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	137.9	176.7	-168.5	173.3	12	0	0	110.7	L560 A565 C575 V577	L560-Q563 HydrophobicContact CD2-CB 4.04Å; L560-Q563 HydrophobicContact CD2-CG 4.12Å; L560-Q563 HydrophobicContact CG-CB 4.21Å; Q563-A565 VanDerWaalsContact C-N 3.33Å; Q563-C575 PolarHBondContact NE2-O 2.83Å; Q563-C575 VanDerWaalsContact NE2-O 3.16Å; Q563-V577 PolarHBondContact NE2-O 2.79Å
564	G	82.6	Confident	87.3	Confident	25 Å²	25	37.8 Å²	37.8	26%	0.258	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-2.6	-173	0	0	0	0	0	114.8	Y568	G564-Y568 PolarHBondContact O-OH 2.8Å
565	A	84.9	Confident	88.3	Confident	18 Å²	18	33.2 Å²	33.2	15%	0.149	19%	0.193	C	C	.	.			trans	-88.9	153.4	167.2	0	0	0	0	0	111.8	L543 S562 Q563 L571	L543-A565 HydrophobicContact CD1-CB 4.4Å; L543-A565 HydrophobicContact CD2-CB 4.17Å; S562-A565 VanDerWaalsContact O-CB 3.29Å; S562-A565 WeakPolarHBondContact O-CB 3.41Å; S562-A565 PolarHBondContact O-N 3.24Å; S562-A565 VanDerWaalsContact O-N 3.11Å; Q563-A565 VanDerWaalsContact C-N 3.33Å; A565-L571 WeakPolarHBondContact O-CD1 3.31Å
566	G	87.5	Confident	89.3	Confident	13 Å²	13	28.5 Å²	28.5	13%	0.134	16%	0.163	C	C	.	.	S	Bend	trans	106.3	-175.8	177.6	0	0	0	0	0	112.9	Q614	G566-Q614 PolarHBondContact O-OE1 3.14Å
567	T	93.3	Very high	90.1	Very high	24 Å²	24	28.3 Å²	28.3	15%	0.147	17%	0.165	C	C	.	.			trans	-103.7	101.8	-178	-49.8	0	0	0	0	109.9	D519 K521 W569 Y570	D519-T567 PolarHBondContact OD1-N 3.41Å; D519-T567 PolarHBondContact OD1-OG1 3.45Å; K521-T567 HydrophobicContact CD-CG2 4.19Å; K521-T567 WeakPolarHBondContact CD-OG1 3.34Å; K521-T567 PolarHBondContact NZ-OG1 3.01Å; K521-T567 VanDerWaalsContact NZ-OG1 3.09Å; T567-W569 VanDerWaalsContact C-N 3.29Å; T567-W569 HydrophobicContact CG2-CE3 3.74Å; T567-W569 HydrophobicContact CG2-CZ3 4.07Å; T567-W569 PolarHBondContact O-N 3Å; T567-Y570 HydrophobicContact CG2-CD2 3.68Å; T567-Y570 HydrophobicContact CG2-CE2 3.74Å; T567-Y570 PolarHBondContact O-N 3.36Å
568	Y	96.8	Very high	90.2	Very high	6 Å²	6	32.7 Å²	32.7	2%	0.024	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-56.6	-31.2	-159.6	-65.7	-14.5	0	0	0	116.5	G564 Y570 L571 F576 Q614 I617 L618	G564-Y568 PolarHBondContact O-OH 2.8Å; Y568-Y570 PolarHBondContact O-N 3.15Å; Y568-L571 HydrophobicContact CD1-CD1 4Å; Y568-L571 PolarHBondContact O-N 2.76Å; Y568-F576 AromaticContact CD1-CE1 3.87Å; Y568-F576 HydrophobicContact CD1-CE1 3.87Å; Y568-F576 AromaticContact CD1-CZ 3.99Å; Y568-F576 HydrophobicContact CD1-CZ 3.99Å; Y568-F576 HydrophobicContact CD2-CE1 4.16Å; Y568-F576 HydrophobicContact CE1-CE1 4.36Å; Y568-F576 AromaticContact CG-CE1 3.75Å; Y568-F576 HydrophobicContact CG-CE1 3.75Å; Y568-F576 AromaticContact CG-CZ 3.92Å; Y568-F576 HydrophobicContact CG-CZ 3.92Å; Y568-Q614 HydrophobicContact CD2-CB 3.61Å; Y568-Q614 HydrophobicContact CD2-CG 3.99Å; Y568-Q614 WeakPolarHBondContact CD2-O 3.31Å; Y568-Q614 HydrophobicContact CE2-CB 3.88Å; Y568-Q614 HydrophobicContact CG-CB 4.41Å; Y568-Q614 HydrophobicContact CG-CG 4.32Å; Y568-I617 HydrophobicContact CD2-CG2 4.31Å; Y568-L618 HydrophobicContact CD2-CD1 4.45Å; Y568-L618 HydrophobicContact CD2-CD2 4.23Å; Y568-L618 HydrophobicContact CD2-CG 3.96Å; Y568-L618 HydrophobicContact CE2-CD1 3.43Å; Y568-L618 VanDerWaalsContact CE2-CD1 3.43Å; Y568-L618 HydrophobicContact CE2-CD2 3.73Å; Y568-L618 HydrophobicContact CE2-CG 3.38Å
569	W	98	Very high	90	Very high	48 Å²	48	34.6 Å²	34.6	18%	0.182	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-61.1	-25.1	177.5	-60.8	-83.6	0	0	0	114.1	T567 V596 K606 G609 Q612 Q614 I617	T567-W569 VanDerWaalsContact C-N 3.29Å; T567-W569 HydrophobicContact CG2-CE3 3.74Å; T567-W569 HydrophobicContact CG2-CZ3 4.07Å; T567-W569 PolarHBondContact O-N 3Å; W569-V596 WeakPolarHBondContact O-CG1 3.49Å; W569-K606 HydrophobicContact CB-CD 3.77Å; W569-K606 HydrophobicContact CD2-CD 4.1Å; W569-K606 VanDerWaalsContact CE2-CE 3.44Å; W569-K606 HydrophobicContact CG-CD 3.57Å; W569-G609 PolarHBondContact NE1-O 3.46Å; W569-Q612 WeakPolarHBondContact CZ2-O 3.37Å; W569-Q614 HydrophobicContact CE3-CG 4.35Å; W569-Q614 HydrophobicContact CH2-CG 3.89Å; W569-Q614 HydrophobicContact CZ3-CG 3.71Å; W569-I617 VanDerWaalsContact CD1-CD1 3.45Å; W569-I617 HydrophobicContact CD2-CD1 4.05Å; W569-I617 HydrophobicContact CG-CD1 3.94Å; W569-I617 VanDerWaalsContact NE1-CD1 3.34Å
570	Y	98.4	Very high	89.8	Confident	17 Å²	17	39.5 Å²	39.5	7%	0.067	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-105.5	1.9	-176.9	-49.3	-85.4	0	0	0	112.7	L520 K521 P522 T567 Y568 S593 V596 I597 Q600	L520-Y570 WeakPolarHBondContact O-CB 3.24Å; K521-Y570 HydrophobicContact CB-CD1 4.47Å; K521-Y570 HydrophobicContact CB-CD2 3.69Å; K521-Y570 HydrophobicContact CB-CE1 4.48Å; K521-Y570 HydrophobicContact CB-CE2 3.69Å; K521-Y570 HydrophobicContact CB-CG 4.1Å; P522-Y570 VanDerWaalsContact CD-CE1 3.42Å; P522-Y570 VanDerWaalsContact CD-OH 3.23Å; P522-Y570 WeakPolarHBondContact CD-OH 3.45Å; P522-Y570 HydrophobicContact CG-CE1 4.14Å; T567-Y570 HydrophobicContact CG2-CD2 3.68Å; T567-Y570 HydrophobicContact CG2-CE2 3.74Å; T567-Y570 PolarHBondContact O-N 3.36Å; Y568-Y570 PolarHBondContact O-N 3.15Å; Y570-S593 PolarHBondContact O-OG 3.28Å; Y570-V596 HydrophobicContact CD1-CB 3.97Å; Y570-V596 HydrophobicContact CD1-CG1 3.38Å; Y570-V596 HydrophobicContact CE1-CG1 3.68Å; Y570-V596 HydrophobicContact CG-CG1 4.27Å; Y570-I597 HydrophobicContact CD1-CG1 3.95Å; Y570-I597 HydrophobicContact CE1-CG1 4.07Å; Y570-Q600 PolarHBondContact OH-OE1 3.22Å
571	L	97.9	Very high	89.8	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	26%	0.26	C	S	.	.	S	Bend	trans	-93.4	145.5	175.7	-64.3	-178	0	0	0	110.4	Y518 A565 Y568 C575 F576 V589 W592 I623	Y518-L571 HydrophobicContact CE1-CD2 4.29Å; Y518-L571 HydrophobicContact CE2-CD2 4.46Å; Y518-L571 WeakPolarHBondContact O-CD2 3.18Å; A565-L571 WeakPolarHBondContact O-CD1 3.31Å; Y568-L571 HydrophobicContact CD1-CD1 4Å; Y568-L571 PolarHBondContact O-N 2.76Å; L571-C575 HydrophobicContact CB-CB 4.44Å; L571-F576 HydrophobicContact CB-CE2 3.74Å; L571-F576 HydrophobicContact CB-CZ 3.98Å; L571-F576 HydrophobicContact CD1-CZ 4.42Å; L571-V589 HydrophobicContact CD2-CG1 4.47Å; L571-W592 VanDerWaalsContact C-CD1 3.47Å; L571-W592 PolarHBondContact O-NE1 3.22Å; L571-I623 WeakPolarHBondContact O-CG2 3.36Å
572	P	97.8	Very high	90.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.235	C	C	.	.			trans	-83.1	166.1	-179.1	37.5	-41.3	0	0	0	112.9	E574 C575 F576 V589 W592	P572-E574 VanDerWaalsContact C-N 3.31Å; P572-E574 VanDerWaalsContact CB-CD 3.49Å; P572-E574 WeakPolarHBondContact CB-OE1 3.43Å; P572-E574 WeakPolarHBondContact CB-OE2 3.43Å; P572-E574 HydrophobicContact CG-CG 4.07Å; P572-E574 WeakPolarHBondContact CG-OE1 3.46Å; P572-E574 PolarHBondContact O-N 3.04Å; P572-C575 PolarHBondContact O-N 3.01Å; P572-C575 VanDerWaalsContact O-N 3.16Å; P572-F576 VanDerWaalsContact O-CD2 3.27Å; P572-F576 WeakPolarHBondContact O-CD2 3.24Å; P572-F576 WeakPolarHBondContact O-CE2 3.26Å; P572-V589 HydrophobicContact CG-CB 4.27Å; P572-V589 HydrophobicContact CG-CG1 4.16Å; P572-V589 HydrophobicContact CG-CG2 3.94Å; P572-W592 HydrophobicContact CB-CB 3.77Å; P572-W592 HydrophobicContact CB-CD2 3.78Å; P572-W592 HydrophobicContact CB-CE3 4.21Å; P572-W592 HydrophobicContact CB-CG 3.58Å; P572-W592 HydrophobicContact CG-CB 4.46Å
573	P	97.3	Very high	90.6	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.026	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-54.8	-39.3	-176.3	-25.6	34.2	0	0	0	114.6	C575 F576 W592 I623 L624 Y651	P573-C575 PolarHBondContact O-N 2.95Å; P573-C575 VanDerWaalsContact O-N 3.14Å; P573-F576 PolarHBondContact O-N 3.03Å; P573-W592 HydrophobicContact CG-CH2 3.94Å; P573-W592 HydrophobicContact CG-CZ2 4.4Å; P573-W592 HydrophobicContact CG-CZ3 4.22Å; P573-I623 HydrophobicContact CG-CG2 4.19Å; P573-L624 HydrophobicContact CB-CD2 4.44Å; P573-L624 VanDerWaalsContact O-CD2 3.29Å; P573-L624 WeakPolarHBondContact O-CD2 3.29Å; P573-Y651 HydrophobicContact CB-CD2 3.99Å; P573-Y651 HydrophobicContact CB-CE2 3.6Å; P573-Y651 HydrophobicContact CG-CD2 3.53Å; P573-Y651 HydrophobicContact CG-CE2 3.64Å; P573-Y651 HydrophobicContact CG-CG 4.38Å
574	E	95.5	Very high	91	Very high	19 Å²	19	42.7 Å²	42.7	9%	0.089	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-58.8	-28.6	-178.6	61.1	-87.8	-159.3	0	0	113.4	P572 F576 V577 P583 K653 R656	P572-E574 VanDerWaalsContact C-N 3.31Å; P572-E574 VanDerWaalsContact CB-CD 3.49Å; P572-E574 WeakPolarHBondContact CB-OE1 3.43Å; P572-E574 WeakPolarHBondContact CB-OE2 3.43Å; P572-E574 HydrophobicContact CG-CG 4.07Å; P572-E574 WeakPolarHBondContact CG-OE1 3.46Å; P572-E574 PolarHBondContact O-N 3.04Å; E574-F576 PolarHBondContact O-N 3.28Å; E574-V577 PolarHBondContact O-N 2.99Å; E574-P583 WeakPolarHBondContact O-CB 3.38Å; E574-K653 HydrophobicContact CB-CD 4.15Å; E574-K653 HydrophobicContact CG-CD 4.08Å; E574-R656 IonicContact OE1-CZ 3.6Å; E574-R656 IonicContact OE1-NH1 3.5Å; E574-R656 PolarHBondContact OE1-NH1 3.08Å; E574-R656 IonicContact OE1-NH2 2.81Å; E574-R656 IonicContact OE2-CZ 3.63Å; E574-R656 IonicContact OE2-NH1 2.89Å; E574-R656 IonicContact OE2-NH2 2.81Å; E574-R656 PolarHBondContact OE2-NH2 2.9Å
575	C	95.1	Very high	91.5	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.034	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-69.6	-17.2	178	-66.4	0	0	0	0	113.5	L560 Q563 L571 P572 P573	L560-C575 HydrophobicContact CD2-CB 4.17Å; Q563-C575 PolarHBondContact NE2-O 2.83Å; Q563-C575 VanDerWaalsContact NE2-O 3.16Å; L571-C575 HydrophobicContact CB-CB 4.44Å; P572-C575 PolarHBondContact O-N 3.01Å; P572-C575 VanDerWaalsContact O-N 3.16Å; P573-C575 PolarHBondContact O-N 2.95Å; P573-C575 VanDerWaalsContact O-N 3.14Å
576	F	94.6	Very high	92	Very high	23 Å²	23	41.6 Å²	41.6	10%	0.101	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-101.2	-3.7	-176.4	-62.6	-87.8	0	0	0	113.3	Y568 L571 P572 P573 E574 V578 I617 L618 I623 L624	Y568-F576 AromaticContact CD1-CE1 3.87Å; Y568-F576 HydrophobicContact CD1-CE1 3.87Å; Y568-F576 AromaticContact CD1-CZ 3.99Å; Y568-F576 HydrophobicContact CD1-CZ 3.99Å; Y568-F576 HydrophobicContact CD2-CE1 4.16Å; Y568-F576 HydrophobicContact CE1-CE1 4.36Å; Y568-F576 AromaticContact CG-CE1 3.75Å; Y568-F576 HydrophobicContact CG-CE1 3.75Å; Y568-F576 AromaticContact CG-CZ 3.92Å; Y568-F576 HydrophobicContact CG-CZ 3.92Å; L571-F576 HydrophobicContact CB-CE2 3.74Å; L571-F576 HydrophobicContact CB-CZ 3.98Å; L571-F576 HydrophobicContact CD1-CZ 4.42Å; P572-F576 VanDerWaalsContact O-CD2 3.27Å; P572-F576 WeakPolarHBondContact O-CD2 3.24Å; P572-F576 WeakPolarHBondContact O-CE2 3.26Å; P573-F576 PolarHBondContact O-N 3.03Å; E574-F576 PolarHBondContact O-N 3.28Å; F576-V578 PolarHBondContact O-N 2.8Å; F576-I617 HydrophobicContact CE1-CG2 4.41Å; F576-L618 HydrophobicContact CD1-CD2 3.82Å; F576-L618 HydrophobicContact CE1-CD2 3.97Å; F576-I623 HydrophobicContact CD2-CB 3.85Å; F576-I623 HydrophobicContact CD2-CG1 4.43Å; F576-I623 HydrophobicContact CD2-CG2 3.8Å; F576-I623 HydrophobicContact CE2-CB 3.74Å; F576-I623 HydrophobicContact CE2-CG1 3.85Å; F576-I623 HydrophobicContact CE2-CG2 3.65Å; F576-I623 HydrophobicContact CG-CB 4.49Å; F576-I623 HydrophobicContact CZ-CB 4.29Å; F576-I623 HydrophobicContact CZ-CG1 3.95Å; F576-L624 HydrophobicContact CB-CD1 4.17Å; F576-L624 HydrophobicContact CB-CD2 3.89Å; F576-L624 HydrophobicContact CB-CG 3.81Å
577	V	90.1	Very high	92.4	Very high	76 Å²	76	41.5 Å²	41.5	46%	0.461	22%	0.218	S	C	.	.			trans	-69.1	119.1	178	179.5	0	0	0	0	109	Q563 E574 P583 L624	Q563-V577 PolarHBondContact NE2-O 2.79Å; E574-V577 PolarHBondContact O-N 2.99Å; V577-P583 WeakPolarHBondContact O-CG 3.47Å; V577-L624 HydrophobicContact CG2-CD2 4.04Å
578	V	85.6	Confident	92.6	Very high	105 Å²	105	42.1 Å²	42.1	64%	0.636	22%	0.219	S	C	*	.			trans	-101.1	122.7	174.9	-176.1	0	0	0	0	108	L8 F576	L8-V578 HydrophobicContact CD2-CG1 4.44Å; F576-V578 PolarHBondContact O-N 2.8Å
579	G	83	Confident	92.7	Very high	45 Å²	45	41.8 Å²	41.8	46%	0.464	22%	0.218	S	C	.	.	S	Bend	trans	-153.1	-175.6	-180	0	0	0	0	0	111.5	E581	G579-E581 VanDerWaalsContact C-N 3.31Å
580	K	81.9	Confident	92.7	Very high	210 Å²	210	39.5 Å²	39.5	91%	0.913	21%	0.209	S	C	*	.	S	Bend	trans	-61	-42.5	176.1	-69.4	-174.6	178.5	-177.9	0	111.5
581	E	84.9	Confident	92.7	Very high	143 Å²	143	38.7 Å²	38.7	67%	0.668	21%	0.206	S	C	*	.	S	Bend	trans	-97.5	146.2	176.7	-59.3	-53.3	143.6	0	0	111.2	G579	G579-E581 VanDerWaalsContact C-N 3.31Å
582	P	85.6	Confident	92.7	Very high	22 Å²	22	38.5 Å²	38.5	14%	0.143	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-64.2	150.9	175.2	27.6	-33.5	0	0	0	111.5	E559 K584	E559-P582 HydrophobicContact CB-CB 4.5Å; E559-P582 HydrophobicContact CB-CG 3.95Å; E559-P582 HydrophobicContact CG-CG 3.89Å; E559-P582 WeakPolarHBondContact OE2-CG 3.45Å; P582-K584 PolarHBondContact O-N 2.87Å
583	P	88.5	Confident	92.8	Very high	13 Å²	13	38.5 Å²	38.5	8%	0.084	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-59.7	139.5	175.6	-24.4	33.5	0	0	0	112.5	L560 E574 V577	L560-P583 HydrophobicContact CB-CB 4.32Å; L560-P583 VanDerWaalsContact CB-O 3.29Å; L560-P583 WeakPolarHBondContact CB-O 3.43Å; L560-P583 HydrophobicContact CD2-CG 4.45Å; L560-P583 PolarHBondContact N-O 3.2Å; E574-P583 WeakPolarHBondContact O-CB 3.38Å; V577-P583 WeakPolarHBondContact O-CG 3.47Å
584	K	90.9	Very high	92.9	Very high	76 Å²	76	38.3 Å²	38.3	33%	0.33	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.9	170	-52.4	-168.1	-175.2	-178.9	0	111.5	D556 M558 P582 K653	D556-K584 HydrophobicContact CB-CD 3.88Å; D556-K584 VanDerWaalsContact CB-NZ 3.35Å; D556-K584 WeakPolarHBondContact O-CB 3.45Å; D556-K584 WeakPolarHBondContact O-CD 3.45Å; D556-K584 IonicContact OD1-NZ 2.7Å; D556-K584 PolarHBondContact OD1-NZ 3.26Å; D556-K584 IonicContact OD2-NZ 3.07Å; D556-K584 PolarHBondContact OD2-NZ 2.97Å; M558-K584 CarbonylContact O-C 3.57Å; M558-K584 VanDerWaalsContact O-CA 3.28Å; M558-K584 WeakPolarHBondContact O-CA 3.46Å; P582-K584 PolarHBondContact O-N 2.87Å; K584-K653 PolarHBondContact O-NZ 2.87Å
585	I	93.6	Very high	93	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	163.1	-176.8	60.6	162.2	0	0	0	112	I516 Y518 K545 G557 M558 L560 V589	I516-I585 HydrophobicContact CD1-CD1 4.31Å; Y518-I585 HydrophobicContact CD2-CD1 3.96Å; Y518-I585 HydrophobicContact CE2-CD1 3.93Å; K545-I585 HydrophobicContact CG-CD1 4.25Å; G557-I585 WeakPolarHBondContact CA-O 3.07Å; M558-I585 HydrophobicContact CG-CD1 4.39Å; M558-I585 HydrophobicContact CG-CG1 3.78Å; M558-I585 PolarHBondContact N-O 3.48Å; M558-I585 PolarHBondContact O-N 3.4Å; L560-I585 HydrophobicContact CB-CD1 4.5Å; L560-I585 HydrophobicContact CB-CG1 4.48Å; L560-I585 HydrophobicContact CB-CG2 4.28Å; L560-I585 HydrophobicContact CD1-CD1 4.04Å; I585-V589 HydrophobicContact CB-CG2 3.85Å; I585-V589 HydrophobicContact CG2-CG2 4Å
586	S	95.1	Very high	93.2	Very high	18 Å²	18	37.2 Å²	37.2	13%	0.126	20%	0.198	C	C	.	.			trans	-148.5	-174.5	174	68.4	0	0	0	0	109.9	I516 K588 V589	I516-S586 VanDerWaalsContact CD1-C 3.46Å; S586-K588 PolarHBondContact O-N 2.85Å; S586-K588 WeakPolarHBondContact OG-CG 3.23Å; S586-K588 PolarHBondContact OG-N 3.04Å; S586-V589 WeakPolarHBondContact O-CG2 3.39Å; S586-V589 PolarHBondContact O-N 2.7Å
587	N	96.1	Very high	93.4	Very high	11 Å²	11	36.1 Å²	36.1	6%	0.059	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-14.7	175.1	68.3	18	0	0	0	114.6	N509 M547 V589 D590 D658 V659	N509-N587 WeakPolarHBondContact OD1-CB 3.36Å; N509-N587 PolarHBondContact OD1-ND2 2.93Å; M547-N587 HydrophobicContact CE-CB 4.32Å; N587-V589 PolarHBondContact O-N 3Å; N587-V589 VanDerWaalsContact O-N 3.17Å; N587-D590 PolarHBondContact O-N 3.35Å; N587-D590 VanDerWaalsContact O-N 3.1Å; N587-D658 WeakPolarHBondContact OD1-CB 3.35Å; N587-V659 HydrophobicContact CB-CB 4.38Å; N587-V659 HydrophobicContact CB-CG2 3.73Å; N587-V659 WeakPolarHBondContact O-CG2 3.45Å
588	K	97.9	Very high	93.8	Very high	37 Å²	37	32.5 Å²	32.5	16%	0.161	17%	0.171	C	C	.	.	H	α-helix	trans	-63.2	-15	173.4	-61.3	-168.9	-178.3	-162	0	113.7	S586 W592 K653 E654 R656 D658	S586-K588 PolarHBondContact O-N 2.85Å; S586-K588 WeakPolarHBondContact OG-CG 3.23Å; S586-K588 PolarHBondContact OG-N 3.04Å; K588-W592 PolarHBondContact O-N 3.11Å; K588-K653 WeakPolarHBondContact CD-O 3.32Å; K588-K653 WeakPolarHBondContact CE-O 3.24Å; K588-K653 PolarHBondContact NZ-O 3.39Å; K588-E654 PolarHBondContact NZ-O 3.32Å; K588-R656 HydrophobicContact CD-CB 4.43Å; K588-R656 WeakPolarHBondContact CD-O 3.41Å; K588-R656 WeakPolarHBondContact CE-O 3.35Å; K588-R656 PolarHBondContact NZ-O 2.83Å; K588-R656 WeakPolarHBondContact O-CD 3.2Å; K588-R656 PolarHBondContact O-NH1 3.05Å; K588-D658 HydrophobicContact CG-CB 4.18Å
589	V	97.9	Very high	94.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.4	-47.7	169.9	173.8	0	0	0	0	110.6	I516 Y518 L571 P572 I585 S586 N587 V591 W592 S593	I516-V589 HydrophobicContact CG2-CB 4.43Å; Y518-V589 HydrophobicContact CD2-CG1 3.96Å; Y518-V589 HydrophobicContact CE2-CG1 4.29Å; L571-V589 HydrophobicContact CD2-CG1 4.47Å; P572-V589 HydrophobicContact CG-CB 4.27Å; P572-V589 HydrophobicContact CG-CG1 4.16Å; P572-V589 HydrophobicContact CG-CG2 3.94Å; I585-V589 HydrophobicContact CB-CG2 3.85Å; I585-V589 HydrophobicContact CG2-CG2 4Å; S586-V589 WeakPolarHBondContact O-CG2 3.39Å; S586-V589 PolarHBondContact O-N 2.7Å; N587-V589 PolarHBondContact O-N 3Å; N587-V589 VanDerWaalsContact O-N 3.17Å; V589-V591 VanDerWaalsContact C-N 3.28Å; V589-V591 PolarHBondContact O-N 3.37Å; V589-W592 WeakPolarHBondContact O-CB 3.49Å; V589-W592 PolarHBondContact O-N 2.97Å; V589-S593 PolarHBondContact O-N 3.44Å; V589-S593 PolarHBondContact O-OG 3.3Å
590	D	98.5	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68	-30.6	-179.4	-67.7	-25.3	0	0	0	111.6	L505 I516 H517 Y518 L520 N587 S593 V594	L505-D590 HydrophobicContact CD1-CB 3.96Å; L505-D590 HydrophobicContact CD2-CB 3.92Å; I516-D590 WeakPolarHBondContact CG2-OD2 3.27Å; H517-D590 PolarHBondContact N-OD2 2.96Å; Y518-D590 PolarHBondContact N-OD1 3.37Å; L520-D590 HydrophobicContact CD1-CB 4.31Å; N587-D590 PolarHBondContact O-N 3.35Å; N587-D590 VanDerWaalsContact O-N 3.1Å; D590-S593 WeakPolarHBondContact O-CB 3.45Å; D590-S593 PolarHBondContact O-N 2.89Å; D590-V594 WeakPolarHBondContact O-CG2 3.5Å; D590-V594 PolarHBondContact O-N 3.45Å
591	V	98.8	Very high	95.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.8	-43.8	173.4	176.4	0	0	0	0	111.4	V589 V594 G595 C648 R656 I657 V659 L662	V589-V591 VanDerWaalsContact C-N 3.28Å; V589-V591 PolarHBondContact O-N 3.37Å; V591-V594 WeakPolarHBondContact O-CB 3.21Å; V591-V594 PolarHBondContact O-N 3.39Å; V591-G595 PolarHBondContact O-N 3.36Å; V591-G595 VanDerWaalsContact O-N 3.07Å; V591-C648 HydrophobicContact CG1-CB 4.18Å; V591-R656 HydrophobicContact CG1-CG 4.26Å; V591-I657 HydrophobicContact CG1-CD1 4.5Å; V591-I657 HydrophobicContact CG1-CG1 3.81Å; V591-V659 HydrophobicContact CG2-CG2 3.82Å; V591-L662 HydrophobicContact CB-CD2 4.43Å; V591-L662 HydrophobicContact CG1-CD2 4.3Å; V591-L662 HydrophobicContact CG2-CD2 4.03Å
592	W	98.8	Very high	96.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.9	-46.5	175.1	177.5	-85.1	0	0	0	111	L571 P572 P573 K588 V589 V594 G595 V596 F608 I623 A626 L649	L571-W592 VanDerWaalsContact C-CD1 3.47Å; L571-W592 PolarHBondContact O-NE1 3.22Å; P572-W592 HydrophobicContact CB-CB 3.77Å; P572-W592 HydrophobicContact CB-CD2 3.78Å; P572-W592 HydrophobicContact CB-CE3 4.21Å; P572-W592 HydrophobicContact CB-CG 3.58Å; P572-W592 HydrophobicContact CG-CB 4.46Å; P573-W592 HydrophobicContact CG-CH2 3.94Å; P573-W592 HydrophobicContact CG-CZ2 4.4Å; P573-W592 HydrophobicContact CG-CZ3 4.22Å; K588-W592 PolarHBondContact O-N 3.11Å; V589-W592 WeakPolarHBondContact O-CB 3.49Å; V589-W592 PolarHBondContact O-N 2.97Å; W592-V594 VanDerWaalsContact C-N 3.29Å; W592-V594 PolarHBondContact O-N 3.03Å; W592-G595 WeakPolarHBondContact O-CA 3.39Å; W592-G595 PolarHBondContact O-N 3.08Å; W592-V596 WeakPolarHBondContact O-CG2 3.4Å; W592-V596 PolarHBondContact O-N 2.99Å; W592-F608 HydrophobicContact CH2-CD2 4.38Å; W592-F608 AromaticContact CH2-CE2 3.67Å; W592-F608 HydrophobicContact CH2-CE2 3.67Å; W592-F608 HydrophobicContact CH2-CZ 4.24Å; W592-F608 AromaticContact CZ2-CD2 3.78Å; W592-F608 HydrophobicContact CZ2-CD2 3.78Å; W592-F608 AromaticContact CZ2-CE2 3.44Å; W592-F608 HydrophobicContact CZ2-CE2 3.44Å; W592-F608 VanDerWaalsContact CZ2-CE2 3.44Å; W592-F608 HydrophobicContact CZ2-CZ 4.42Å; W592-I623 HydrophobicContact CZ2-CG2 4.38Å; W592-A626 HydrophobicContact CH2-CB 4.22Å; W592-A626 HydrophobicContact CZ2-CB 4.44Å; W592-L649 HydrophobicContact CD2-CD2 3.69Å; W592-L649 HydrophobicContact CE3-CB 4.35Å; W592-L649 HydrophobicContact CE3-CD2 3.86Å; W592-L649 HydrophobicContact CG-CD2 4.08Å; W592-L649 HydrophobicContact CZ2-CD2 4.39Å; W592-L649 HydrophobicContact CZ3-CB 4.16Å; W592-L649 HydrophobicContact CZ3-CD2 4.28Å; W592-L649 WeakPolarHBondContact CZ3-O 3.4Å; W592-L649 WeakPolarHBondContact O-CD2 3.49Å
593	S	98.8	Very high	97.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-56.2	-43.4	176.9	-50.2	0	0	0	0	111.6	Y570 V589 D590 G595 V596 I597	Y570-S593 PolarHBondContact O-OG 3.28Å; V589-S593 PolarHBondContact O-N 3.44Å; V589-S593 PolarHBondContact O-OG 3.3Å; D590-S593 WeakPolarHBondContact O-CB 3.45Å; D590-S593 PolarHBondContact O-N 2.89Å; S593-G595 PolarHBondContact O-N 2.94Å; S593-V596 PolarHBondContact O-N 3.19Å; S593-I597 WeakPolarHBondContact O-CB 3.47Å; S593-I597 WeakPolarHBondContact O-CD1 3.42Å; S593-I597 WeakPolarHBondContact O-CG1 3.4Å; S593-I597 PolarHBondContact O-N 2.93Å
594	V	98.9	Very high	97.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.3	-44.8	174.2	167.1	0	0	0	0	111.8	I498 I501 V502 L505 L520 D590 V591 W592 V596 I597 F598 F644 L662	I498-V594 HydrophobicContact CD1-CG1 4.3Å; I498-V594 HydrophobicContact CG2-CG1 3.82Å; I501-V594 HydrophobicContact CG2-CG2 3.91Å; V502-V594 HydrophobicContact CG2-CG1 4.34Å; L505-V594 HydrophobicContact CD1-CG2 3.66Å; L520-V594 HydrophobicContact CD1-CG2 4.42Å; D590-V594 WeakPolarHBondContact O-CG2 3.5Å; D590-V594 PolarHBondContact O-N 3.45Å; V591-V594 WeakPolarHBondContact O-CB 3.21Å; V591-V594 PolarHBondContact O-N 3.39Å; W592-V594 VanDerWaalsContact C-N 3.29Å; W592-V594 PolarHBondContact O-N 3.03Å; V594-V596 PolarHBondContact O-N 3.2Å; V594-I597 PolarHBondContact O-N 3.23Å; V594-F598 WeakPolarHBondContact O-CB 3.49Å; V594-F598 PolarHBondContact O-N 3.13Å; V594-F644 HydrophobicContact CG1-CZ 4.44Å; V594-L662 HydrophobicContact CB-CD2 4.39Å; V594-L662 HydrophobicContact CG1-CD2 4.23Å; V594-L662 HydrophobicContact CG2-CD2 4.39Å
595	G	98.8	Very high	97.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.2	-44.1	176.7	0	0	0	0	0	113	V591 W592 S593 Y599	V591-G595 PolarHBondContact O-N 3.36Å; V591-G595 VanDerWaalsContact O-N 3.07Å; W592-G595 WeakPolarHBondContact O-CA 3.39Å; W592-G595 PolarHBondContact O-N 3.08Å; S593-G595 PolarHBondContact O-N 2.94Å; G595-Y599 WeakPolarHBondContact O-CB 3.49Å; G595-Y599 PolarHBondContact O-N 2.93Å
596	V	98.8	Very high	97.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.7	-46.8	177.2	175	0	0	0	0	111	W569 Y570 W592 S593 V594 F598 Y599 Q600 P607 L649	W569-V596 WeakPolarHBondContact O-CG1 3.49Å; Y570-V596 HydrophobicContact CD1-CB 3.97Å; Y570-V596 HydrophobicContact CD1-CG1 3.38Å; Y570-V596 HydrophobicContact CE1-CG1 3.68Å; Y570-V596 HydrophobicContact CG-CG1 4.27Å; W592-V596 WeakPolarHBondContact O-CG2 3.4Å; W592-V596 PolarHBondContact O-N 2.99Å; S593-V596 PolarHBondContact O-N 3.19Å; V594-V596 PolarHBondContact O-N 3.2Å; V596-F598 VanDerWaalsContact C-N 3.34Å; V596-F598 PolarHBondContact O-N 3.43Å; V596-Y599 PolarHBondContact O-N 3.06Å; V596-Q600 WeakPolarHBondContact O-CB 3.2Å; V596-Q600 PolarHBondContact O-N 3.24Å; V596-P607 HydrophobicContact CB-CG 4.41Å; V596-P607 HydrophobicContact CG1-CG 4.19Å; V596-P607 HydrophobicContact CG2-CG 4.1Å; V596-L649 HydrophobicContact CG2-CD2 3.76Å
597	I	98.8	Very high	98	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.5	-45.5	179.1	-69.7	160.5	0	0	0	110.2	L479 I498 I501 L520 P522 I525 Y570 S593 V594 Q600 C601	L479-I597 HydrophobicContact CD2-CG2 4.12Å; I498-I597 HydrophobicContact CD1-CG2 4.14Å; I501-I597 HydrophobicContact CD1-CG2 4.49Å; L520-I597 HydrophobicContact CB-CD1 4.26Å; P522-I597 HydrophobicContact CG-CG1 4.43Å; I525-I597 HydrophobicContact CD1-CD1 3.99Å; I525-I597 HydrophobicContact CD1-CG2 4.16Å; Y570-I597 HydrophobicContact CD1-CG1 3.95Å; Y570-I597 HydrophobicContact CE1-CG1 4.07Å; S593-I597 WeakPolarHBondContact O-CB 3.47Å; S593-I597 WeakPolarHBondContact O-CD1 3.42Å; S593-I597 WeakPolarHBondContact O-CG1 3.4Å; S593-I597 PolarHBondContact O-N 2.93Å; V594-I597 PolarHBondContact O-N 3.23Å; I597-Q600 PolarHBondContact O-N 3.34Å; I597-C601 PolarHBondContact O-N 2.87Å; I597-C601 PolarHBondContact O-SG 3.25Å
598	F	98.8	Very high	98.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65	-45.3	-179.9	-169.8	-143.1	0	0	0	111.6	I498 V594 V596 Q600 C601 L602 A641 F644 I645 F667	I498-F598 HydrophobicContact CD1-CB 3.8Å; I498-F598 HydrophobicContact CD1-CD2 4.33Å; I498-F598 HydrophobicContact CD1-CG 4.32Å; I498-F598 HydrophobicContact CG1-CB 3.73Å; I498-F598 HydrophobicContact CG1-CD2 3.53Å; I498-F598 HydrophobicContact CG1-CE2 4.31Å; I498-F598 HydrophobicContact CG1-CG 3.7Å; V594-F598 WeakPolarHBondContact O-CB 3.49Å; V594-F598 PolarHBondContact O-N 3.13Å; V596-F598 VanDerWaalsContact C-N 3.34Å; V596-F598 PolarHBondContact O-N 3.43Å; F598-Q600 VanDerWaalsContact C-N 3.27Å; F598-Q600 PolarHBondContact O-N 2.86Å; F598-C601 WeakPolarHBondContact O-CB 3.43Å; F598-C601 PolarHBondContact O-N 3.45Å; F598-L602 HydrophobicContact CD1-CD1 4.48Å; F598-L602 HydrophobicContact CD2-CD1 4.35Å; F598-L602 HydrophobicContact CD2-CD2 4.47Å; F598-L602 HydrophobicContact CD2-CG 4.22Å; F598-L602 HydrophobicContact CE1-CD1 4.07Å; F598-L602 HydrophobicContact CE2-CD1 3.91Å; F598-L602 HydrophobicContact CE2-CD2 3.85Å; F598-L602 HydrophobicContact CE2-CG 3.95Å; F598-L602 HydrophobicContact CZ-CD1 3.75Å; F598-L602 HydrophobicContact CZ-CD2 4.31Å; F598-L602 HydrophobicContact CZ-CG 4.31Å; F598-L602 WeakPolarHBondContact O-CG 3.46Å; F598-L602 PolarHBondContact O-N 3.5Å; F598-L602 VanDerWaalsContact O-N 3.16Å; F598-A641 HydrophobicContact CE1-CB 4.04Å; F598-A641 HydrophobicContact CZ-CB 4.19Å; F598-F644 AromaticContact CD1-CD1 3.54Å; F598-F644 HydrophobicContact CD1-CD1 3.54Å; F598-F644 AromaticContact CD1-CE1 3.7Å; F598-F644 HydrophobicContact CD1-CE1 3.7Å; F598-F644 AromaticContact CE1-CD1 3.73Å; F598-F644 HydrophobicContact CE1-CD1 3.73Å; F598-F644 HydrophobicContact CE1-CE1 4.17Å; F598-F644 HydrophobicContact CG-CE1 4.44Å; F598-I645 HydrophobicContact CD1-CD1 3.86Å; F598-I645 HydrophobicContact CD1-CG1 3.53Å; F598-I645 HydrophobicContact CE1-CD1 4.25Å; F598-I645 HydrophobicContact CE1-CG1 4.13Å; F598-I645 HydrophobicContact CG-CG1 4.39Å; F598-F667 HydrophobicContact CE1-CD1 4.47Å; F598-F667 AromaticContact CE1-CE1 3.52Å; F598-F667 HydrophobicContact CE1-CE1 3.52Å; F598-F667 AromaticContact CE1-CZ 3.84Å; F598-F667 HydrophobicContact CE1-CZ 3.84Å; F598-F667 AromaticContact CZ-CE1 3.57Å; F598-F667 HydrophobicContact CZ-CE1 3.57Å; F598-F667 AromaticContact CZ-CZ 3.64Å; F598-F667 HydrophobicContact CZ-CZ 3.64Å
599	Y	98.8	Very high	98	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.016	6%	0.063	C	C	.	.	H	α-helix	trans	-54.9	-46.1	173.5	-175.9	-76.5	0	0	0	111.2	G595 V596 C601 L602 Y603 R605 P607 V629 Q630 F631 P632 I645	G595-Y599 WeakPolarHBondContact O-CB 3.49Å; G595-Y599 PolarHBondContact O-N 2.93Å; V596-Y599 PolarHBondContact O-N 3.06Å; Y599-C601 VanDerWaalsContact C-N 3.34Å; Y599-C601 PolarHBondContact O-N 3.03Å; Y599-L602 PolarHBondContact O-N 2.96Å; Y599-Y603 AromaticContact CD1-CD2 3.91Å; Y599-Y603 HydrophobicContact CD1-CD2 3.91Å; Y599-Y603 HydrophobicContact CD1-CG 4.49Å; Y599-Y603 AromaticContact CD2-CD2 3.73Å; Y599-Y603 HydrophobicContact CD2-CD2 3.73Å; Y599-Y603 AromaticContact CD2-CE2 3.97Å; Y599-Y603 HydrophobicContact CD2-CE2 3.97Å; Y599-Y603 AromaticContact CE1-CD2 3.85Å; Y599-Y603 HydrophobicContact CE1-CD2 3.85Å; Y599-Y603 HydrophobicContact CE1-CG 4.13Å; Y599-Y603 AromaticContact CE2-CD2 3.68Å; Y599-Y603 HydrophobicContact CE2-CD2 3.68Å; Y599-Y603 AromaticContact CE2-CE2 3.92Å; Y599-Y603 HydrophobicContact CE2-CE2 3.92Å; Y599-Y603 HydrophobicContact CE2-CG 4.49Å; Y599-Y603 AromaticContact CG-CD2 3.85Å; Y599-Y603 HydrophobicContact CG-CD2 3.85Å; Y599-Y603 HydrophobicContact CG-CE2 4.47Å; Y599-Y603 AromaticContact CZ-CD2 3.74Å; Y599-Y603 WeakPolarHBondContact O-CD2 3.43Å; Y599-Y603 PolarHBondContact O-N 3.3Å; Y599-R605 WeakPolarHBondContact CD1-O 3.38Å; Y599-R605 HydrophobicContact CE1-CG 3.96Å; Y599-R605 WeakPolarHBondContact CE1-O 3.37Å; Y599-P607 HydrophobicContact CD1-CB 3.84Å; Y599-P607 HydrophobicContact CD1-CG 4.15Å; Y599-P607 HydrophobicContact CD2-CB 4.03Å; Y599-P607 HydrophobicContact CE1-CB 3.99Å; Y599-P607 HydrophobicContact CE2-CB 4.15Å; Y599-P607 HydrophobicContact CG-CB 3.88Å; Y599-P607 HydrophobicContact CG-CG 4.17Å; Y599-V629 HydrophobicContact CD2-CG2 3.86Å; Y599-V629 HydrophobicContact CE2-CG2 3.74Å; Y599-Q630 VanDerWaalsContact CE2-O 3.31Å; Y599-Q630 WeakPolarHBondContact CE2-O 3.37Å; Y599-Q630 PolarHBondContact OH-O 2.8Å; Y599-F631 HydrophobicContact CD2-CD1 4.17Å; Y599-F631 AromaticContact CD2-CE1 3.9Å; Y599-F631 HydrophobicContact CD2-CE1 3.9Å; Y599-F631 AromaticContact CE2-CD1 3.84Å; Y599-F631 HydrophobicContact CE2-CD1 3.84Å; Y599-F631 AromaticContact CE2-CE1 4Å; Y599-F631 HydrophobicContact CE2-CE1 4Å; Y599-P632 WeakPolarHBondContact OH-CD 3.27Å; Y599-I645 HydrophobicContact CD2-CD1 4.46Å; Y599-I645 HydrophobicContact CD2-CG2 4.3Å
600	Q	98.4	Very high	97.9	Very high	19 Å²	19	15.5 Å²	15.5	9%	0.089	8%	0.078	C	C	.	.	H	α-helix	trans	-64.3	-37.6	180	-170.7	-177.6	-1.8	0	0	112.7	L483 Y570 V596 I597 F598 L602 G604 R605 K606	L483-Q600 HydrophobicContact CD1-CG 4.12Å; Y570-Q600 PolarHBondContact OH-OE1 3.22Å; V596-Q600 WeakPolarHBondContact O-CB 3.2Å; V596-Q600 PolarHBondContact O-N 3.24Å; I597-Q600 PolarHBondContact O-N 3.34Å; F598-Q600 VanDerWaalsContact C-N 3.27Å; F598-Q600 PolarHBondContact O-N 2.86Å; Q600-L602 VanDerWaalsContact C-N 3.31Å; Q600-L602 PolarHBondContact O-N 2.84Å; Q600-G604 VanDerWaalsContact O-CA 3.24Å; Q600-G604 WeakPolarHBondContact O-CA 3.38Å; Q600-G604 PolarHBondContact O-N 3.35Å; Q600-R605 WeakPolarHBondContact CA-O 3.4Å; Q600-K606 HydrophobicContact CG-CG 4.46Å
601	C	98.3	Very high	97.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-41.9	174.9	-68.1	0	0	0	0	111.9	L488 M489 I597 F598 Y599	L488-C601 CarbonylContact C-O 3.51Å; L488-C601 WeakPolarHBondContact CA-O 3.42Å; L488-C601 WeakPolarHBondContact CB-O 3.43Å; M489-C601 HydrophobicContact CE-CB 4.3Å; M489-C601 HydrophobicContact CG-CB 3.84Å; M489-C601 WeakPolarHBondContact CG-O 3.35Å; M489-C601 PolarHBondContact N-O 3.36Å; M489-C601 HydrophobicContact SD-CB 3.9Å; I597-C601 PolarHBondContact O-N 2.87Å; I597-C601 PolarHBondContact O-SG 3.25Å; F598-C601 WeakPolarHBondContact O-CB 3.43Å; F598-C601 PolarHBondContact O-N 3.45Å; Y599-C601 VanDerWaalsContact C-N 3.34Å; Y599-C601 PolarHBondContact O-N 3.03Å
602	L	98.3	Very high	97.5	Very high	4 Å²	4	23 Å²	23	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-80	-38.1	-176.1	-58.1	-177.4	0	0	0	113.4	E491 F598 Y599 Q600 P635 V637 A641 I645	E491-L602 HydrophobicContact CB-CD2 4.1Å; E491-L602 HydrophobicContact CG-CD2 4.32Å; F598-L602 HydrophobicContact CD1-CD1 4.48Å; F598-L602 HydrophobicContact CD2-CD1 4.35Å; F598-L602 HydrophobicContact CD2-CD2 4.47Å; F598-L602 HydrophobicContact CD2-CG 4.22Å; F598-L602 HydrophobicContact CE1-CD1 4.07Å; F598-L602 HydrophobicContact CE2-CD1 3.91Å; F598-L602 HydrophobicContact CE2-CD2 3.85Å; F598-L602 HydrophobicContact CE2-CG 3.95Å; F598-L602 HydrophobicContact CZ-CD1 3.75Å; F598-L602 HydrophobicContact CZ-CD2 4.31Å; F598-L602 HydrophobicContact CZ-CG 4.31Å; F598-L602 WeakPolarHBondContact O-CG 3.46Å; F598-L602 PolarHBondContact O-N 3.5Å; F598-L602 VanDerWaalsContact O-N 3.16Å; Y599-L602 PolarHBondContact O-N 2.96Å; Q600-L602 VanDerWaalsContact C-N 3.31Å; Q600-L602 PolarHBondContact O-N 2.84Å; L602-P635 WeakPolarHBondContact O-CG 3.23Å; L602-V637 HydrophobicContact CB-CG2 4.14Å; L602-V637 HydrophobicContact CD1-CG1 3.67Å; L602-V637 HydrophobicContact CD1-CG2 4.07Å; L602-A641 HydrophobicContact CD1-CB 4.5Å; L602-I645 HydrophobicContact CD1-CD1 4.06Å
603	Y	97.4	Very high	97.3	Very high	15 Å²	15	25.4 Å²	25.4	6%	0.059	13%	0.134	C	C	.	.	H	α-helix	trans	-108	-6.3	-170.6	-64.4	-70.5	0	0	0	114	Y599 R605 F631 P632 P635 V637	Y599-Y603 AromaticContact CD1-CD2 3.91Å; Y599-Y603 HydrophobicContact CD1-CD2 3.91Å; Y599-Y603 HydrophobicContact CD1-CG 4.49Å; Y599-Y603 AromaticContact CD2-CD2 3.73Å; Y599-Y603 HydrophobicContact CD2-CD2 3.73Å; Y599-Y603 AromaticContact CD2-CE2 3.97Å; Y599-Y603 HydrophobicContact CD2-CE2 3.97Å; Y599-Y603 AromaticContact CE1-CD2 3.85Å; Y599-Y603 HydrophobicContact CE1-CD2 3.85Å; Y599-Y603 HydrophobicContact CE1-CG 4.13Å; Y599-Y603 AromaticContact CE2-CD2 3.68Å; Y599-Y603 HydrophobicContact CE2-CD2 3.68Å; Y599-Y603 AromaticContact CE2-CE2 3.92Å; Y599-Y603 HydrophobicContact CE2-CE2 3.92Å; Y599-Y603 HydrophobicContact CE2-CG 4.49Å; Y599-Y603 AromaticContact CG-CD2 3.85Å; Y599-Y603 HydrophobicContact CG-CD2 3.85Å; Y599-Y603 HydrophobicContact CG-CE2 4.47Å; Y599-Y603 AromaticContact CZ-CD2 3.74Å; Y599-Y603 WeakPolarHBondContact O-CD2 3.43Å; Y599-Y603 PolarHBondContact O-N 3.3Å; Y603-R605 PolarHBondContact O-N 3.35Å; Y603-R605 VanDerWaalsContact O-N 3.09Å; Y603-F631 AromaticContact CE2-CD1 3.67Å; Y603-F631 HydrophobicContact CE2-CD1 3.67Å; Y603-F631 HydrophobicContact CE2-CE1 4.25Å; Y603-F631 AromaticContact CZ-CD1 3.85Å; Y603-F631 WeakPolarHBondContact OH-CD1 3.41Å; Y603-P632 HydrophobicContact CD1-CG 3.4Å; Y603-P632 HydrophobicContact CE1-CG 3.7Å; Y603-P632 HydrophobicContact CG-CG 4.14Å; Y603-P635 HydrophobicContact CD1-CG 4.38Å; Y603-V637 HydrophobicContact CE1-CG2 4.02Å; Y603-V637 HydrophobicContact CE2-CG2 4.36Å; Y603-V637 WeakPolarHBondContact OH-CB 3.37Å; Y603-V637 WeakPolarHBondContact OH-CG2 3.45Å
604	G	95.8	Very high	97	Very high	24 Å²	24	27.8 Å²	27.8	25%	0.247	15%	0.145	C	C	.	.	S	Bend	trans	63.5	12	-177.1	0	0	0	0	0	114.4	K487 Q600	K487-G604 WeakPolarHBondContact O-CA 3.36Å; Q600-G604 VanDerWaalsContact O-CA 3.24Å; Q600-G604 WeakPolarHBondContact O-CA 3.38Å; Q600-G604 PolarHBondContact O-N 3.35Å
605	R	95.5	Very high	96.7	Very high	99 Å²	99	34.5 Å²	34.5	37%	0.374	18%	0.176	S	C	.	.	S	Bend	trans	-141.5	157.1	-178.5	72.9	-171	-168.9	174.7	7.7	110.6	Y599 Q600 Y603 H610 P632	Y599-R605 WeakPolarHBondContact CD1-O 3.38Å; Y599-R605 HydrophobicContact CE1-CG 3.96Å; Y599-R605 WeakPolarHBondContact CE1-O 3.37Å; Q600-R605 WeakPolarHBondContact CA-O 3.4Å; Y603-R605 PolarHBondContact O-N 3.35Å; Y603-R605 VanDerWaalsContact O-N 3.09Å; R605-H610 VanDerWaalsContact CA-CE1 3.41Å; R605-H610 WeakPolarHBondContact CA-CE1 3.43Å; R605-H610 WeakPolarHBondContact CA-ND1 3.34Å; R605-H610 VanDerWaalsContact CB-CE1 3.48Å; R605-H610 WeakPolarHBondContact CB-CE1 3.49Å; R605-P632 VanDerWaalsContact NH2-CD 3.34Å
606	K	97.3	Very high	96.6	Very high	34 Å²	34	37 Å²	37	15%	0.148	19%	0.19	C	C	.	.			trans	-83.2	141.7	179.7	-57.4	179.9	-64.7	-80.4	0	108.2	W569 Q600 F608 H610	W569-K606 HydrophobicContact CB-CD 3.77Å; W569-K606 HydrophobicContact CD2-CD 4.1Å; W569-K606 VanDerWaalsContact CE2-CE 3.44Å; W569-K606 HydrophobicContact CG-CD 3.57Å; Q600-K606 HydrophobicContact CG-CG 4.46Å; K606-F608 PolarHBondContact O-N 2.93Å; K606-H610 HydrophobicContact CB-CB 4.4Å; K606-H610 PolarHBondContact N-ND1 2.94Å; K606-H610 VanDerWaalsContact N-ND1 3.14Å; K606-H610 PolarHBondContact NZ-O 3.28Å
607	P	98	Very high	96.4	Very high	24 Å²	24	37.1 Å²	37.1	16%	0.156	19%	0.19	C	C	.	.	S	Bend	trans	-64.3	-30.6	-177.8	25.3	-32.3	0	0	0	112.2	V596 Y599 V629 L649	V596-P607 HydrophobicContact CB-CG 4.41Å; V596-P607 HydrophobicContact CG1-CG 4.19Å; V596-P607 HydrophobicContact CG2-CG 4.1Å; Y599-P607 HydrophobicContact CD1-CB 3.84Å; Y599-P607 HydrophobicContact CD1-CG 4.15Å; Y599-P607 HydrophobicContact CD2-CB 4.03Å; Y599-P607 HydrophobicContact CE1-CB 3.99Å; Y599-P607 HydrophobicContact CE2-CB 4.15Å; Y599-P607 HydrophobicContact CG-CB 3.88Å; Y599-P607 HydrophobicContact CG-CG 4.17Å; P607-V629 HydrophobicContact CB-CG2 3.96Å; P607-L649 HydrophobicContact CB-CD1 4.4Å; P607-L649 HydrophobicContact CG-CD1 4.19Å
608	F	98.2	Very high	96.1	Very high	20 Å²	20	40.7 Å²	40.7	9%	0.088	21%	0.209	C	C	.	.	S	Bend	trans	-128.5	142.3	-179.9	-45.8	-62.9	0	0	0	109.8	W592 K606 H610 I623 A626 V629 L649	W592-F608 HydrophobicContact CH2-CD2 4.38Å; W592-F608 AromaticContact CH2-CE2 3.67Å; W592-F608 HydrophobicContact CH2-CE2 3.67Å; W592-F608 HydrophobicContact CH2-CZ 4.24Å; W592-F608 AromaticContact CZ2-CD2 3.78Å; W592-F608 HydrophobicContact CZ2-CD2 3.78Å; W592-F608 AromaticContact CZ2-CE2 3.44Å; W592-F608 HydrophobicContact CZ2-CE2 3.44Å; W592-F608 VanDerWaalsContact CZ2-CE2 3.44Å; W592-F608 HydrophobicContact CZ2-CZ 4.42Å; K606-F608 PolarHBondContact O-N 2.93Å; F608-H610 VanDerWaalsContact C-N 3.29Å; F608-H610 PolarHBondContact O-N 3.28Å; F608-H610 VanDerWaalsContact O-N 3.17Å; F608-I623 HydrophobicContact CB-CD1 3.87Å; F608-A626 HydrophobicContact CD1-CB 3.57Å; F608-A626 HydrophobicContact CD2-CB 3.93Å; F608-A626 HydrophobicContact CE1-CB 3.61Å; F608-A626 HydrophobicContact CE2-CB 3.96Å; F608-A626 HydrophobicContact CG-CB 3.74Å; F608-A626 HydrophobicContact CZ-CB 3.8Å; F608-V629 HydrophobicContact CZ-CB 4.14Å; F608-L649 HydrophobicContact CE2-CD1 4.2Å; F608-L649 HydrophobicContact CZ-CD1 4.48Å
609	G	96.2	Very high	95.9	Very high	12 Å²	12	47.5 Å²	47.5	12%	0.124	24%	0.241	C	C	.	.			trans	57.2	30.2	173.6	0	0	0	0	0	116.1	W569 N611 Q612	W569-G609 PolarHBondContact NE1-O 3.46Å; G609-N611 VanDerWaalsContact C-N 3.28Å; G609-N611 PolarHBondContact O-N 2.79Å; G609-N611 VanDerWaalsContact O-N 3.11Å; G609-Q612 VanDerWaalsContact CA-OE1 3.27Å; G609-Q612 PolarHBondContact O-N 2.85Å
610	H	94.4	Very high	95.8	Very high	70 Å²	70	51.8 Å²	51.8	32%	0.324	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-43.2	-170.2	-179.1	52.2	0	0	0	114.9	R605 K606 F608	R605-H610 VanDerWaalsContact CA-CE1 3.41Å; R605-H610 WeakPolarHBondContact CA-CE1 3.43Å; R605-H610 WeakPolarHBondContact CA-ND1 3.34Å; R605-H610 VanDerWaalsContact CB-CE1 3.48Å; R605-H610 WeakPolarHBondContact CB-CE1 3.49Å; K606-H610 HydrophobicContact CB-CB 4.4Å; K606-H610 PolarHBondContact N-ND1 2.94Å; K606-H610 VanDerWaalsContact N-ND1 3.14Å; K606-H610 PolarHBondContact NZ-O 3.28Å; F608-H610 VanDerWaalsContact C-N 3.29Å; F608-H610 PolarHBondContact O-N 3.28Å; F608-H610 VanDerWaalsContact O-N 3.17Å
611	N	93.8	Very high	95.7	Very high	118 Å²	118	54.7 Å²	54.7	63%	0.631	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	12.7	-177.2	-62.5	-15.8	0	0	0	113.2	G609	G609-N611 VanDerWaalsContact C-N 3.28Å; G609-N611 PolarHBondContact O-N 2.79Å; G609-N611 VanDerWaalsContact O-N 3.11Å
612	Q	95.4	Very high	95.6	Very high	40 Å²	40	55.8 Å²	55.8	19%	0.187	28%	0.284	C	S	.	.			trans	-95	146.3	179.2	-75.8	179.2	-26.6	0	0	110	W569 G609 D616 I617 E620 T622	W569-Q612 WeakPolarHBondContact CZ2-O 3.37Å; G609-Q612 VanDerWaalsContact CA-OE1 3.27Å; G609-Q612 PolarHBondContact O-N 2.85Å; Q612-D616 HydrophobicContact CB-CB 3.98Å; Q612-D616 HydrophobicContact CG-CB 4.2Å; Q612-I617 HydrophobicContact CB-CG1 4.01Å; Q612-E620 VanDerWaalsContact NE2-CD 3.31Å; Q612-E620 PolarHBondContact NE2-OE2 3.06Å; Q612-T622 PolarHBondContact NE2-OG1 2.99Å; Q612-T622 VanDerWaalsContact OE1-CG2 3.27Å; Q612-T622 PolarHBondContact OE1-OG1 3.49Å
613	S	94.6	Very high	95.6	Very high	50 Å²	50	55.7 Å²	55.7	35%	0.35	28%	0.283	S	S	.	.			trans	-72.2	167.6	166.1	73.2	0	0	0	0	111	Q615 D616 I617	S613-Q615 PolarHBondContact O-N 2.91Å; S613-Q615 PolarHBondContact OG-N 2.95Å; S613-D616 VanDerWaalsContact CB-OD2 3.3Å; S613-D616 WeakPolarHBondContact CB-OD2 3.31Å; S613-D616 PolarHBondContact N-OD2 3.16Å; S613-D616 PolarHBondContact O-N 3.02Å; S613-D616 PolarHBondContact OG-N 3.37Å; S613-D616 VanDerWaalsContact OG-N 3.09Å; S613-D616 PolarHBondContact OG-OD1 3.21Å; S613-D616 PolarHBondContact OG-OD2 3.02Å; S613-I617 WeakPolarHBondContact O-CG1 3.41Å; S613-I617 PolarHBondContact O-N 3.27Å
614	Q	92.5	Very high	95.5	Very high	51 Å²	51	57 Å²	57	24%	0.238	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-31.7	172.5	-70.5	-160	110.6	0	0	112.1	G566 Y568 W569 L618	G566-Q614 PolarHBondContact O-OE1 3.14Å; Y568-Q614 HydrophobicContact CD2-CB 3.61Å; Y568-Q614 HydrophobicContact CD2-CG 3.99Å; Y568-Q614 WeakPolarHBondContact CD2-O 3.31Å; Y568-Q614 HydrophobicContact CE2-CB 3.88Å; Y568-Q614 HydrophobicContact CG-CB 4.41Å; Y568-Q614 HydrophobicContact CG-CG 4.32Å; W569-Q614 HydrophobicContact CE3-CG 4.35Å; W569-Q614 HydrophobicContact CH2-CG 3.89Å; W569-Q614 HydrophobicContact CZ3-CG 3.71Å; Q614-L618 PolarHBondContact O-N 3.4Å
615	Q	93	Very high	95.6	Very high	140 Å²	140	62.7 Å²	62.7	65%	0.654	31%	0.309	S	S	*	.	H	α-helix	trans	-66.4	-45.5	175	-179.2	177.1	-7.9	0	0	111.1	S613 I617 L618 Q619	S613-Q615 PolarHBondContact O-N 2.91Å; S613-Q615 PolarHBondContact OG-N 2.95Å; Q615-I617 VanDerWaalsContact C-N 3.32Å; Q615-I617 PolarHBondContact O-N 3.43Å; Q615-L618 PolarHBondContact O-N 2.95Å; Q615-Q619 WeakPolarHBondContact O-CB 3.1Å; Q615-Q619 PolarHBondContact O-N 3.42Å
616	D	96.2	Very high	95.6	Very high	54 Å²	54	58.2 Å²	58.2	29%	0.289	29%	0.293	S	S	.	.	H	α-helix	trans	-63.9	-39.4	178.3	-54.4	-38.5	0	0	0	111.2	Q612 S613 L618 Q619 E620	Q612-D616 HydrophobicContact CB-CB 3.98Å; Q612-D616 HydrophobicContact CG-CB 4.2Å; S613-D616 VanDerWaalsContact CB-OD2 3.3Å; S613-D616 WeakPolarHBondContact CB-OD2 3.31Å; S613-D616 PolarHBondContact N-OD2 3.16Å; S613-D616 PolarHBondContact O-N 3.02Å; S613-D616 PolarHBondContact OG-N 3.37Å; S613-D616 VanDerWaalsContact OG-N 3.09Å; S613-D616 PolarHBondContact OG-OD1 3.21Å; S613-D616 PolarHBondContact OG-OD2 3.02Å; D616-L618 VanDerWaalsContact C-N 3.29Å; D616-L618 PolarHBondContact O-N 2.94Å; D616-Q619 PolarHBondContact O-N 3.39Å; D616-E620 VanDerWaalsContact O-CB 3.29Å; D616-E620 WeakPolarHBondContact O-CB 3.4Å; D616-E620 WeakPolarHBondContact O-CG 3.4Å; D616-E620 PolarHBondContact O-N 3.25Å
617	I	95.1	Very high	95.5	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-56.7	-43.5	175.6	-76.7	174	0	0	0	111.9	Y568 W569 F576 Q612 S613 Q615 N621 T622 I623	Y568-I617 HydrophobicContact CD2-CG2 4.31Å; W569-I617 VanDerWaalsContact CD1-CD1 3.45Å; W569-I617 HydrophobicContact CD2-CD1 4.05Å; W569-I617 HydrophobicContact CG-CD1 3.94Å; W569-I617 VanDerWaalsContact NE1-CD1 3.34Å; F576-I617 HydrophobicContact CE1-CG2 4.41Å; Q612-I617 HydrophobicContact CB-CG1 4.01Å; S613-I617 WeakPolarHBondContact O-CG1 3.41Å; S613-I617 PolarHBondContact O-N 3.27Å; Q615-I617 VanDerWaalsContact C-N 3.32Å; Q615-I617 PolarHBondContact O-N 3.43Å; I617-N621 WeakPolarHBondContact O-CA 3.49Å; I617-N621 PolarHBondContact O-N 3.22Å; I617-N621 VanDerWaalsContact O-N 3.15Å; I617-T622 PolarHBondContact O-N 2.83Å; I617-I623 HydrophobicContact CG2-CD1 4.46Å; I617-I623 HydrophobicContact CG2-CG1 3.74Å
618	L	93.3	Very high	95.3	Very high	75 Å²	75	66.2 Å²	66.2	39%	0.393	34%	0.336	S	S	.	.	H	α-helix	trans	-68.3	-50	176.9	-71.3	176.6	0	0	0	111.1	Y568 F576 Q614 Q615 D616 E620 N621	Y568-L618 HydrophobicContact CD2-CD1 4.45Å; Y568-L618 HydrophobicContact CD2-CD2 4.23Å; Y568-L618 HydrophobicContact CD2-CG 3.96Å; Y568-L618 HydrophobicContact CE2-CD1 3.43Å; Y568-L618 VanDerWaalsContact CE2-CD1 3.43Å; Y568-L618 HydrophobicContact CE2-CD2 3.73Å; Y568-L618 HydrophobicContact CE2-CG 3.38Å; F576-L618 HydrophobicContact CD1-CD2 3.82Å; F576-L618 HydrophobicContact CE1-CD2 3.97Å; Q614-L618 PolarHBondContact O-N 3.4Å; Q615-L618 PolarHBondContact O-N 2.95Å; D616-L618 VanDerWaalsContact C-N 3.29Å; D616-L618 PolarHBondContact O-N 2.94Å; L618-E620 VanDerWaalsContact C-N 3.32Å; L618-E620 PolarHBondContact O-N 2.87Å; L618-N621 PolarHBondContact O-N 2.94Å; L618-N621 PolarHBondContact O-OD1 2.66Å
619	Q	94.3	Very high	95.2	Very high	143 Å²	143	65.6 Å²	65.6	67%	0.668	33%	0.334	S	S	*	.	H	α-helix	trans	-63.7	-38.6	-175.1	-175.5	173.2	-8.4	0	0	112.2	Q615 D616	Q615-Q619 WeakPolarHBondContact O-CB 3.1Å; Q615-Q619 PolarHBondContact O-N 3.42Å; D616-Q619 PolarHBondContact O-N 3.39Å
620	E	95.9	Very high	95.3	Very high	95 Å²	95	70.8 Å²	70.8	44%	0.444	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-3.8	-179.5	-64	-174.4	-153	0	0	113.4	Q612 D616 L618 T622 K625	Q612-E620 VanDerWaalsContact NE2-CD 3.31Å; Q612-E620 PolarHBondContact NE2-OE2 3.06Å; D616-E620 VanDerWaalsContact O-CB 3.29Å; D616-E620 WeakPolarHBondContact O-CB 3.4Å; D616-E620 WeakPolarHBondContact O-CG 3.4Å; D616-E620 PolarHBondContact O-N 3.25Å; L618-E620 VanDerWaalsContact C-N 3.32Å; L618-E620 PolarHBondContact O-N 2.87Å; E620-T622 PolarHBondContact O-N 3.05Å; E620-K625 WeakPolarHBondContact O-CE 3.25Å; E620-K625 PolarHBondContact O-NZ 3.23Å
621	N	95.9	Very high	95.4	Very high	79 Å²	79	69 Å²	69	42%	0.422	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	38.4	-174.6	-68.5	-48.5	0	0	0	112.2	I617 L618 I623 L624 K625	I617-N621 WeakPolarHBondContact O-CA 3.49Å; I617-N621 PolarHBondContact O-N 3.22Å; I617-N621 VanDerWaalsContact O-N 3.15Å; L618-N621 PolarHBondContact O-N 2.94Å; L618-N621 PolarHBondContact O-OD1 2.66Å; N621-I623 VanDerWaalsContact C-N 3.34Å; N621-I623 PolarHBondContact O-N 3.28Å; N621-L624 HydrophobicContact CB-CB 4.21Å; N621-L624 HydrophobicContact CB-CD1 4.21Å; N621-L624 PolarHBondContact O-N 2.7Å; N621-L624 VanDerWaalsContact O-N 3.13Å; N621-K625 WeakPolarHBondContact O-CG 3.44Å; N621-K625 PolarHBondContact O-N 2.88Å; N621-K625 VanDerWaalsContact O-N 3.11Å
622	T	97	Very high	95.6	Very high	23 Å²	23	64.3 Å²	64.3	14%	0.141	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-45	-170.2	-57	0	0	0	0	112.2	Q612 I617 E620 K625 A626	Q612-T622 PolarHBondContact NE2-OG1 2.99Å; Q612-T622 VanDerWaalsContact OE1-CG2 3.27Å; Q612-T622 PolarHBondContact OE1-OG1 3.49Å; I617-T622 PolarHBondContact O-N 2.83Å; E620-T622 PolarHBondContact O-N 3.05Å; T622-K625 PolarHBondContact O-N 2.81Å; T622-A626 PolarHBondContact O-N 2.94Å
623	I	97.3	Very high	95.6	Very high	2 Å²	2	68 Å²	68	1%	0.01	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-72.1	-34	-179.1	-52.4	-56.8	0	0	0	111.3	L571 P573 F576 W592 F608 I617 N621 K625 A626	L571-I623 WeakPolarHBondContact O-CG2 3.36Å; P573-I623 HydrophobicContact CG-CG2 4.19Å; F576-I623 HydrophobicContact CD2-CB 3.85Å; F576-I623 HydrophobicContact CD2-CG1 4.43Å; F576-I623 HydrophobicContact CD2-CG2 3.8Å; F576-I623 HydrophobicContact CE2-CB 3.74Å; F576-I623 HydrophobicContact CE2-CG1 3.85Å; F576-I623 HydrophobicContact CE2-CG2 3.65Å; F576-I623 HydrophobicContact CG-CB 4.49Å; F576-I623 HydrophobicContact CZ-CB 4.29Å; F576-I623 HydrophobicContact CZ-CG1 3.95Å; W592-I623 HydrophobicContact CZ2-CG2 4.38Å; F608-I623 HydrophobicContact CB-CD1 3.87Å; I617-I623 HydrophobicContact CG2-CD1 4.46Å; I617-I623 HydrophobicContact CG2-CG1 3.74Å; N621-I623 VanDerWaalsContact C-N 3.34Å; N621-I623 PolarHBondContact O-N 3.28Å; I623-K625 PolarHBondContact O-N 3.07Å; I623-A626 WeakPolarHBondContact O-CB 3.42Å; I623-A626 PolarHBondContact O-N 3.25Å; I623-A626 VanDerWaalsContact O-N 3.08Å
624	L	96.2	Very high	95.5	Very high	42 Å²	42	73.9 Å²	73.9	22%	0.22	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-66.6	-19.9	174.1	-69.6	174	0	0	0	112.9	P573 F576 V577 N621 Y651	P573-L624 HydrophobicContact CB-CD2 4.44Å; P573-L624 VanDerWaalsContact O-CD2 3.29Å; P573-L624 WeakPolarHBondContact O-CD2 3.29Å; F576-L624 HydrophobicContact CB-CD1 4.17Å; F576-L624 HydrophobicContact CB-CD2 3.89Å; F576-L624 HydrophobicContact CB-CG 3.81Å; V577-L624 HydrophobicContact CG2-CD2 4.04Å; N621-L624 HydrophobicContact CB-CB 4.21Å; N621-L624 HydrophobicContact CB-CD1 4.21Å; N621-L624 PolarHBondContact O-N 2.7Å; N621-L624 VanDerWaalsContact O-N 3.13Å; L624-Y651 WeakPolarHBondContact O-CE2 3.35Å; L624-Y651 PolarHBondContact O-OH 3.06Å
625	K	96.6	Very high	95.6	Very high	145 Å²	145	73.8 Å²	73.8	63%	0.63	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-95.5	1.2	174.3	-65.8	169	-178.8	166	0	113.4	E620 N621 T622 I623 T627	E620-K625 WeakPolarHBondContact O-CE 3.25Å; E620-K625 PolarHBondContact O-NZ 3.23Å; N621-K625 WeakPolarHBondContact O-CG 3.44Å; N621-K625 PolarHBondContact O-N 2.88Å; N621-K625 VanDerWaalsContact O-N 3.11Å; T622-K625 PolarHBondContact O-N 2.81Å; I623-K625 PolarHBondContact O-N 3.07Å; K625-T627 PolarHBondContact O-N 3.14Å
626	A	95.8	Very high	95.8	Very high	4 Å²	4	73.4 Å²	73.4	3%	0.033	38%	0.38	C	S	.	.			trans	-78.2	55.6	-176.8	0	0	0	0	0	112.6	W592 F608 T622 I623 Y651	W592-A626 HydrophobicContact CH2-CB 4.22Å; W592-A626 HydrophobicContact CZ2-CB 4.44Å; F608-A626 HydrophobicContact CD1-CB 3.57Å; F608-A626 HydrophobicContact CD2-CB 3.93Å; F608-A626 HydrophobicContact CE1-CB 3.61Å; F608-A626 HydrophobicContact CE2-CB 3.96Å; F608-A626 HydrophobicContact CG-CB 3.74Å; F608-A626 HydrophobicContact CZ-CB 3.8Å; T622-A626 PolarHBondContact O-N 2.94Å; I623-A626 WeakPolarHBondContact O-CB 3.42Å; I623-A626 PolarHBondContact O-N 3.25Å; I623-A626 VanDerWaalsContact O-N 3.08Å; A626-Y651 WeakPolarHBondContact O-CD2 3.46Å
627	T	95.2	Very high	95.8	Very high	101 Å²	101	71.3 Å²	71.3	62%	0.62	37%	0.369	S	S	*	.			trans	-75	-25.7	-175.2	53.6	0	0	0	0	113.6	K625 Y651	K625-T627 PolarHBondContact O-N 3.14Å; T627-Y651 HydrophobicContact CG2-CD2 4.03Å; T627-Y651 HydrophobicContact CG2-CE2 4.11Å; T627-Y651 HydrophobicContact CG2-CG 4.26Å
628	E	93.7	Very high	96	Very high	126 Å²	126	72.5 Å²	72.5	59%	0.589	38%	0.377	S	S	*	.	S	Bend	trans	-141.8	140.7	177.6	-170.5	-178.1	-163.1	0	0	111.5	Q630	E628-Q630 PolarHBondContact OE2-NE2 2.91Å; E628-Q630 VanDerWaalsContact OE2-NE2 3.16Å
629	V	97.4	Very high	96.2	Very high	6 Å²	6	73.4 Å²	73.4	4%	0.036	39%	0.388	C	S	.	.			trans	-91.3	131	173.8	59.3	0	0	0	0	111.6	Y599 P607 F608 F631 I645 R646 L649	Y599-V629 HydrophobicContact CD2-CG2 3.86Å; Y599-V629 HydrophobicContact CE2-CG2 3.74Å; P607-V629 HydrophobicContact CB-CG2 3.96Å; F608-V629 HydrophobicContact CZ-CB 4.14Å; V629-F631 HydrophobicContact CG1-CE2 3.81Å; V629-F631 HydrophobicContact CG1-CZ 3.74Å; V629-F631 HydrophobicContact CG2-CE1 4.35Å; V629-F631 HydrophobicContact CG2-CE2 4.5Å; V629-F631 HydrophobicContact CG2-CZ 4.14Å; V629-I645 HydrophobicContact CG1-CG2 4.44Å; V629-I645 HydrophobicContact CG2-CG2 4.44Å; V629-R646 HydrophobicContact CG1-CG 3.89Å; V629-L649 HydrophobicContact CB-CD1 4.17Å; V629-L649 HydrophobicContact CG1-CD1 4.49Å; V629-L649 HydrophobicContact CG2-CD1 4.01Å
630	Q	97.3	Very high	96.4	Very high	121 Å²	121	72.1 Å²	72.1	57%	0.565	38%	0.382	S	S	*	.			trans	-102.7	137	178.6	-64	-61.3	-23.5	0	0	112.2	Y599 E628	Y599-Q630 VanDerWaalsContact CE2-O 3.31Å; Y599-Q630 WeakPolarHBondContact CE2-O 3.37Å; Y599-Q630 PolarHBondContact OH-O 2.8Å; E628-Q630 PolarHBondContact OE2-NE2 2.91Å; E628-Q630 VanDerWaalsContact OE2-NE2 3.16Å
631	F	97.9	Very high	96.5	Very high	32 Å²	32	67.6 Å²	67.6	14%	0.14	36%	0.361	C	S	.	.			trans	-111.4	117.1	-177.9	-61	-79.5	0	0	0	110.7	Y599 Y603 V629 K642 I645 R646	Y599-F631 HydrophobicContact CD2-CD1 4.17Å; Y599-F631 AromaticContact CD2-CE1 3.9Å; Y599-F631 HydrophobicContact CD2-CE1 3.9Å; Y599-F631 AromaticContact CE2-CD1 3.84Å; Y599-F631 HydrophobicContact CE2-CD1 3.84Å; Y599-F631 AromaticContact CE2-CE1 4Å; Y599-F631 HydrophobicContact CE2-CE1 4Å; Y603-F631 AromaticContact CE2-CD1 3.67Å; Y603-F631 HydrophobicContact CE2-CD1 3.67Å; Y603-F631 HydrophobicContact CE2-CE1 4.25Å; Y603-F631 AromaticContact CZ-CD1 3.85Å; Y603-F631 WeakPolarHBondContact OH-CD1 3.41Å; V629-F631 HydrophobicContact CG1-CE2 3.81Å; V629-F631 HydrophobicContact CG1-CZ 3.74Å; V629-F631 HydrophobicContact CG2-CE1 4.35Å; V629-F631 HydrophobicContact CG2-CE2 4.5Å; V629-F631 HydrophobicContact CG2-CZ 4.14Å; F631-K642 HydrophobicContact CB-CD 4.26Å; F631-K642 HydrophobicContact CD1-CD 4.37Å; F631-K642 HydrophobicContact CD1-CG 3.87Å; F631-K642 HydrophobicContact CD2-CB 4.39Å; F631-K642 HydrophobicContact CD2-CD 4.25Å; F631-K642 HydrophobicContact CD2-CG 4.26Å; F631-K642 HydrophobicContact CE1-CB 4.2Å; F631-K642 HydrophobicContact CE1-CG 3.99Å; F631-K642 HydrophobicContact CE2-CB 4.09Å; F631-K642 HydrophobicContact CE2-CG 4.37Å; F631-K642 HydrophobicContact CG-CD 4.03Å; F631-K642 HydrophobicContact CG-CG 4Å; F631-K642 HydrophobicContact CZ-CB 3.98Å; F631-K642 HydrophobicContact CZ-CG 4.23Å; F631-I645 HydrophobicContact CE1-CB 4.12Å; F631-I645 HydrophobicContact CE1-CD1 3.9Å; F631-I645 HydrophobicContact CE1-CG2 3.92Å; F631-I645 HydrophobicContact CZ-CB 4.03Å; F631-I645 HydrophobicContact CZ-CG2 3.85Å; F631-R646 HydrophobicContact CE2-CG 4.06Å; F631-R646 HydrophobicContact CZ-CG 4.25Å
632	P	96.8	Very high	96.6	Very high	20 Å²	20	66.2 Å²	66.2	13%	0.13	35%	0.351	C	S	.	.			trans	-64.8	153	173.7	26.3	-30.7	0	0	0	110.8	Y599 Y603 R605 K634	Y599-P632 WeakPolarHBondContact OH-CD 3.27Å; Y603-P632 HydrophobicContact CD1-CG 3.4Å; Y603-P632 HydrophobicContact CE1-CG 3.7Å; Y603-P632 HydrophobicContact CG-CG 4.14Å; R605-P632 VanDerWaalsContact NH2-CD 3.34Å; P632-K634 PolarHBondContact O-N 2.86Å
633	P	94.8	Very high	96.7	Very high	118 Å²	118	66.6 Å²	66.6	77%	0.766	36%	0.357	S	S	*	.	S	Bend	trans	-69.3	-20.4	-177.1	27.7	-35.2	0	0	0	113.2
634	K	93.6	Very high	96.8	Very high	173 Å²	173	66.5 Å²	66.5	75%	0.752	36%	0.356	S	S	*	.	S	Bend	trans	-130	142.1	177.3	-66.8	-174.1	179.8	-179.8	0	110.7	P632	P632-K634 PolarHBondContact O-N 2.86Å
635	P	95.2	Very high	96.9	Very high	49 Å²	49	64.5 Å²	64.5	32%	0.318	35%	0.346	S	S	.	.	S	Bend	cis	-63.3	159	-10.5	29.4	-36.6	0	0	0	112.3	L488 L602 Y603 V637	L488-P635 HydrophobicContact CD2-CG 4.12Å; L602-P635 WeakPolarHBondContact O-CG 3.23Å; Y603-P635 HydrophobicContact CD1-CG 4.38Å; P635-V637 PolarHBondContact O-N 3.02Å
636	V	96.1	Very high	97	Very high	133 Å²	133	63 Å²	63	81%	0.806	34%	0.336	S	S	*	.			trans	-71.4	128.8	176	-178.9	0	0	0	0	108.3
637	V	97.5	Very high	97.1	Very high	9 Å²	9	66.7 Å²	66.7	6%	0.055	35%	0.349	C	S	.	.			trans	-129.8	141.8	179.9	170.7	0	0	0	0	107.8	L602 Y603 P635 A641 K642	L602-V637 HydrophobicContact CB-CG2 4.14Å; L602-V637 HydrophobicContact CD1-CG1 3.67Å; L602-V637 HydrophobicContact CD1-CG2 4.07Å; Y603-V637 HydrophobicContact CE1-CG2 4.02Å; Y603-V637 HydrophobicContact CE2-CG2 4.36Å; Y603-V637 WeakPolarHBondContact OH-CB 3.37Å; Y603-V637 WeakPolarHBondContact OH-CG2 3.45Å; P635-V637 PolarHBondContact O-N 3.02Å; V637-A641 HydrophobicContact CG1-CB 3.57Å; V637-K642 HydrophobicContact CG1-CG 4.2Å; V637-K642 WeakPolarHBondContact O-CE 3.43Å
638	S	97.9	Very high	97.3	Very high	26 Å²	26	61.9 Å²	61.9	18%	0.182	32%	0.32	C	S	.	.			trans	-58.5	146.8	-176.5	72	0	0	0	0	112.5	E491 E640 A641 K642	E491-S638 VanDerWaalsContact CD-OG 3.24Å; E491-S638 WeakPolarHBondContact OE1-CB 3.44Å; E491-S638 PolarHBondContact OE1-OG 3.11Å; E491-S638 WeakPolarHBondContact OE2-CB 3.32Å; E491-S638 PolarHBondContact OE2-N 3.33Å; E491-S638 PolarHBondContact OE2-OG 2.66Å; S638-E640 WeakPolarHBondContact CB-OE2 3.49Å; S638-E640 PolarHBondContact O-N 3.23Å; S638-A641 PolarHBondContact O-N 3.47Å; S638-A641 VanDerWaalsContact OG-CB 3.25Å; S638-A641 WeakPolarHBondContact OG-CB 3.36Å; S638-A641 PolarHBondContact OG-N 2.9Å; S638-K642 WeakPolarHBondContact O-CG 3.35Å; S638-K642 PolarHBondContact O-N 2.86Å; S638-K642 VanDerWaalsContact O-N 3.11Å
639	P	98.1	Very high	97.5	Very high	95 Å²	95	56.3 Å²	56.3	62%	0.617	29%	0.294	S	S	*	.	H	α-helix	trans	-53.7	-34.9	170.5	-25.6	34.7	0	0	0	112.8	K642 A643	P639-K642 PolarHBondContact O-N 3.34Å; P639-A643 WeakPolarHBondContact O-CB 3.32Å; P639-A643 PolarHBondContact O-N 2.98Å
640	E	97.8	Very high	97.6	Very high	115 Å²	115	57.9 Å²	57.9	54%	0.537	30%	0.303	S	S	.	.	H	α-helix	trans	-65.4	-46.4	179.5	-63.4	74.4	-165.5	0	0	111.6	S638 A643 F644 F667	S638-E640 WeakPolarHBondContact CB-OE2 3.49Å; S638-E640 PolarHBondContact O-N 3.23Å; E640-A643 PolarHBondContact O-N 3.38Å; E640-F644 WeakPolarHBondContact O-CB 3.25Å; E640-F644 PolarHBondContact O-N 2.92Å; E640-F667 HydrophobicContact CB-CD2 4.04Å; E640-F667 HydrophobicContact CB-CE2 4.38Å
641	A	98.3	Very high	97.6	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.2	-40.4	175.3	0	0	0	0	0	111.6	E491 F598 L602 V637 S638 F644 I645 F667	E491-A641 HydrophobicContact CG-CB 4.21Å; F598-A641 HydrophobicContact CE1-CB 4.04Å; F598-A641 HydrophobicContact CZ-CB 4.19Å; L602-A641 HydrophobicContact CD1-CB 4.5Å; V637-A641 HydrophobicContact CG1-CB 3.57Å; S638-A641 PolarHBondContact O-N 3.47Å; S638-A641 VanDerWaalsContact OG-CB 3.25Å; S638-A641 WeakPolarHBondContact OG-CB 3.36Å; S638-A641 PolarHBondContact OG-N 2.9Å; A641-F644 PolarHBondContact O-N 3.5Å; A641-I645 WeakPolarHBondContact O-CG1 3.29Å; A641-I645 PolarHBondContact O-N 3.32Å; A641-F667 HydrophobicContact CB-CE2 3.7Å; A641-F667 HydrophobicContact CB-CZ 3.69Å
642	K	98.6	Very high	97.5	Very high	50 Å²	50	61.8 Å²	61.8	22%	0.217	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-41.5	174	-66.5	177.1	-176.6	174.9	0	111.6	F631 V637 S638 P639 I645 R646	F631-K642 HydrophobicContact CB-CD 4.26Å; F631-K642 HydrophobicContact CD1-CD 4.37Å; F631-K642 HydrophobicContact CD1-CG 3.87Å; F631-K642 HydrophobicContact CD2-CB 4.39Å; F631-K642 HydrophobicContact CD2-CD 4.25Å; F631-K642 HydrophobicContact CD2-CG 4.26Å; F631-K642 HydrophobicContact CE1-CB 4.2Å; F631-K642 HydrophobicContact CE1-CG 3.99Å; F631-K642 HydrophobicContact CE2-CB 4.09Å; F631-K642 HydrophobicContact CE2-CG 4.37Å; F631-K642 HydrophobicContact CG-CD 4.03Å; F631-K642 HydrophobicContact CG-CG 4Å; F631-K642 HydrophobicContact CZ-CB 3.98Å; F631-K642 HydrophobicContact CZ-CG 4.23Å; V637-K642 HydrophobicContact CG1-CG 4.2Å; V637-K642 WeakPolarHBondContact O-CE 3.43Å; S638-K642 WeakPolarHBondContact O-CG 3.35Å; S638-K642 PolarHBondContact O-N 2.86Å; S638-K642 VanDerWaalsContact O-N 3.11Å; P639-K642 PolarHBondContact O-N 3.34Å; K642-I645 PolarHBondContact O-N 3.46Å; K642-R646 WeakPolarHBondContact O-CG 3.45Å; K642-R646 PolarHBondContact O-N 3.25Å
643	A	98.4	Very high	97.5	Very high	32 Å²	32	63.3 Å²	63.3	26%	0.264	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-41	176.6	0	0	0	0	0	111.7	P639 E640 R646 R647	P639-A643 WeakPolarHBondContact O-CB 3.32Å; P639-A643 PolarHBondContact O-N 2.98Å; E640-A643 PolarHBondContact O-N 3.38Å; A643-R646 PolarHBondContact O-N 3.42Å; A643-R647 PolarHBondContact O-N 3.31Å; A643-R647 PolarHBondContact O-NH1 3.36Å
644	F	98.7	Very high	97.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.2	-49.9	172.5	174.1	-95.7	0	0	0	111.8	I498 V594 F598 E640 A641 R646 R647 C648 L662 D665 F667 L668	I498-F644 HydrophobicContact CG2-CE1 4.04Å; I498-F644 HydrophobicContact CG2-CZ 3.82Å; V594-F644 HydrophobicContact CG1-CZ 4.44Å; F598-F644 AromaticContact CD1-CD1 3.54Å; F598-F644 HydrophobicContact CD1-CD1 3.54Å; F598-F644 AromaticContact CD1-CE1 3.7Å; F598-F644 HydrophobicContact CD1-CE1 3.7Å; F598-F644 AromaticContact CE1-CD1 3.73Å; F598-F644 HydrophobicContact CE1-CD1 3.73Å; F598-F644 HydrophobicContact CE1-CE1 4.17Å; F598-F644 HydrophobicContact CG-CE1 4.44Å; E640-F644 WeakPolarHBondContact O-CB 3.25Å; E640-F644 PolarHBondContact O-N 2.92Å; A641-F644 PolarHBondContact O-N 3.5Å; F644-R646 VanDerWaalsContact C-N 3.29Å; F644-R646 PolarHBondContact O-N 3.15Å; F644-R647 PolarHBondContact O-N 2.94Å; F644-R647 VanDerWaalsContact O-N 3.11Å; F644-C648 PolarHBondContact O-N 2.82Å; F644-C648 VanDerWaalsContact O-N 3.11Å; F644-C648 PolarHBondContact O-SG 2.86Å; F644-L662 HydrophobicContact CE2-CD1 3.52Å; F644-L662 HydrophobicContact CZ-CD1 3.66Å; F644-D665 HydrophobicContact CD2-CB 4.34Å; F644-D665 HydrophobicContact CE2-CB 4.22Å; F644-F667 HydrophobicContact CB-CB 3.94Å; F644-F667 HydrophobicContact CB-CD1 3.81Å; F644-F667 HydrophobicContact CB-CD2 4.45Å; F644-F667 HydrophobicContact CB-CE1 4.49Å; F644-F667 HydrophobicContact CB-CG 3.8Å; F644-F667 AromaticContact CD1-CD1 3.82Å; F644-F667 HydrophobicContact CD1-CD1 3.82Å; F644-F667 HydrophobicContact CD1-CE1 4.14Å; F644-F667 HydrophobicContact CD2-CB 3.79Å; F644-F667 AromaticContact CD2-CD1 3.74Å; F644-F667 HydrophobicContact CD2-CD1 3.74Å; F644-F667 HydrophobicContact CD2-CG 4.11Å; F644-F667 HydrophobicContact CE1-CD1 4.32Å; F644-F667 HydrophobicContact CE2-CD1 4.24Å; F644-F667 HydrophobicContact CG-CB 4.07Å; F644-F667 AromaticContact CG-CD1 3.5Å; F644-F667 HydrophobicContact CG-CD1 3.5Å; F644-F667 HydrophobicContact CG-CE1 4.23Å; F644-F667 AromaticContact CG-CG 3.94Å; F644-F667 HydrophobicContact CG-CG 3.94Å; F644-L668 HydrophobicContact CE2-CD1 3.87Å; F644-L668 HydrophobicContact CE2-CD2 4.12Å; F644-L668 HydrophobicContact CE2-CG 3.83Å; F644-L668 HydrophobicContact CZ-CD1 4.03Å; F644-L668 HydrophobicContact CZ-CD2 4.08Å; F644-L668 HydrophobicContact CZ-CG 4.2Å
645	I	98.8	Very high	97.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.5	-42.3	176.5	-68.7	167.7	0	0	0	111.2	F598 Y599 L602 V629 F631 A641 K642 R647 C648 L649	F598-I645 HydrophobicContact CD1-CD1 3.86Å; F598-I645 HydrophobicContact CD1-CG1 3.53Å; F598-I645 HydrophobicContact CE1-CD1 4.25Å; F598-I645 HydrophobicContact CE1-CG1 4.13Å; F598-I645 HydrophobicContact CG-CG1 4.39Å; Y599-I645 HydrophobicContact CD2-CD1 4.46Å; Y599-I645 HydrophobicContact CD2-CG2 4.3Å; L602-I645 HydrophobicContact CD1-CD1 4.06Å; V629-I645 HydrophobicContact CG1-CG2 4.44Å; V629-I645 HydrophobicContact CG2-CG2 4.44Å; F631-I645 HydrophobicContact CE1-CB 4.12Å; F631-I645 HydrophobicContact CE1-CD1 3.9Å; F631-I645 HydrophobicContact CE1-CG2 3.92Å; F631-I645 HydrophobicContact CZ-CB 4.03Å; F631-I645 HydrophobicContact CZ-CG2 3.85Å; A641-I645 WeakPolarHBondContact O-CG1 3.29Å; A641-I645 PolarHBondContact O-N 3.32Å; K642-I645 PolarHBondContact O-N 3.46Å; I645-R647 PolarHBondContact O-N 3.1Å; I645-C648 PolarHBondContact O-N 2.8Å; I645-L649 HydrophobicContact CG2-CD1 3.61Å; I645-L649 HydrophobicContact CG2-CG 4.15Å; I645-L649 WeakPolarHBondContact O-CB 3.48Å; I645-L649 WeakPolarHBondContact O-CG 3.46Å; I645-L649 PolarHBondContact O-N 2.85Å
646	R	98.6	Very high	97.7	Very high	114 Å²	114	57.4 Å²	57.4	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-61.9	-40	177.1	-73.1	-175	-167.3	101.1	-5.8	112.7	V629 F631 K642 A643 F644 C648 L649 V650	V629-R646 HydrophobicContact CG1-CG 3.89Å; F631-R646 HydrophobicContact CE2-CG 4.06Å; F631-R646 HydrophobicContact CZ-CG 4.25Å; K642-R646 WeakPolarHBondContact O-CG 3.45Å; K642-R646 PolarHBondContact O-N 3.25Å; A643-R646 PolarHBondContact O-N 3.42Å; F644-R646 VanDerWaalsContact C-N 3.29Å; F644-R646 PolarHBondContact O-N 3.15Å; R646-C648 VanDerWaalsContact C-N 3.31Å; R646-C648 PolarHBondContact O-N 3.25Å; R646-L649 CarbonylContact O-C 3.56Å; R646-L649 PolarHBondContact O-N 3.44Å; R646-V650 VanDerWaalsContact O-CG2 3.23Å; R646-V650 WeakPolarHBondContact O-CG2 3.25Å; R646-V650 PolarHBondContact O-N 3.4Å
647	R	98.4	Very high	97.8	Very high	81 Å²	81	52.3 Å²	52.3	31%	0.306	25%	0.249	S	C	.	.	H	α-helix	trans	-64.5	-35.5	175.9	-71.2	-170.9	-65.1	-82.5	5.3	112.4	A643 F644 I645 V650 I657 D665	A643-R647 PolarHBondContact O-N 3.31Å; A643-R647 PolarHBondContact O-NH1 3.36Å; F644-R647 PolarHBondContact O-N 2.94Å; F644-R647 VanDerWaalsContact O-N 3.11Å; I645-R647 PolarHBondContact O-N 3.1Å; R647-V650 WeakPolarHBondContact O-CG2 3.28Å; R647-I657 HydrophobicContact CB-CD1 4.08Å; R647-D665 IonicContact CZ-OD1 3.16Å; R647-D665 IonicContact CZ-OD2 3.06Å; R647-D665 IonicContact NE-OD2 3.36Å; R647-D665 PolarHBondContact NE-OD2 3.48Å; R647-D665 VanDerWaalsContact NH2-CG 3.25Å; R647-D665 IonicContact NH2-OD1 3.07Å; R647-D665 PolarHBondContact NH2-OD1 3.35Å; R647-D665 IonicContact NH2-OD2 3.49Å; R647-D665 PolarHBondContact NH2-OD2 3.42Å
648	C	98.7	Very high	97.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-73	-37.7	174.7	-61.7	0	0	0	0	112.8	V591 F644 I645 R646 V650 R656	V591-C648 HydrophobicContact CG1-CB 4.18Å; F644-C648 PolarHBondContact O-N 2.82Å; F644-C648 VanDerWaalsContact O-N 3.11Å; F644-C648 PolarHBondContact O-SG 2.86Å; I645-C648 PolarHBondContact O-N 2.8Å; R646-C648 VanDerWaalsContact C-N 3.31Å; R646-C648 PolarHBondContact O-N 3.25Å; C648-V650 PolarHBondContact O-N 2.98Å; C648-R656 VanDerWaalsContact O-CD 3.26Å; C648-R656 WeakPolarHBondContact O-CD 3.41Å; C648-R656 WeakPolarHBondContact O-CG 3.42Å
649	L	98.6	Very high	97.8	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.042	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	31.9	-174.2	-59.1	-176.3	0	0	0	113.4	W592 V596 P607 F608 V629 I645 R646 Y651	W592-L649 HydrophobicContact CD2-CD2 3.69Å; W592-L649 HydrophobicContact CE3-CB 4.35Å; W592-L649 HydrophobicContact CE3-CD2 3.86Å; W592-L649 HydrophobicContact CG-CD2 4.08Å; W592-L649 HydrophobicContact CZ2-CD2 4.39Å; W592-L649 HydrophobicContact CZ3-CB 4.16Å; W592-L649 HydrophobicContact CZ3-CD2 4.28Å; W592-L649 WeakPolarHBondContact CZ3-O 3.4Å; W592-L649 WeakPolarHBondContact O-CD2 3.49Å; V596-L649 HydrophobicContact CG2-CD2 3.76Å; P607-L649 HydrophobicContact CB-CD1 4.4Å; P607-L649 HydrophobicContact CG-CD1 4.19Å; F608-L649 HydrophobicContact CE2-CD1 4.2Å; F608-L649 HydrophobicContact CZ-CD1 4.48Å; V629-L649 HydrophobicContact CB-CD1 4.17Å; V629-L649 HydrophobicContact CG1-CD1 4.49Å; V629-L649 HydrophobicContact CG2-CD1 4.01Å; I645-L649 HydrophobicContact CG2-CD1 3.61Å; I645-L649 HydrophobicContact CG2-CG 4.15Å; I645-L649 WeakPolarHBondContact O-CB 3.48Å; I645-L649 WeakPolarHBondContact O-CG 3.46Å; I645-L649 PolarHBondContact O-N 2.85Å; R646-L649 CarbonylContact O-C 3.56Å; R646-L649 PolarHBondContact O-N 3.44Å; L649-Y651 PolarHBondContact O-N 3.5Å
650	V	98.4	Very high	97.8	Very high	40 Å²	40	51.9 Å²	51.9	24%	0.242	24%	0.237	C	C	.	.			trans	-68.7	127.2	172.1	-179	0	0	0	0	109.2	R646 R647 C648 D655 R656	R646-V650 VanDerWaalsContact O-CG2 3.23Å; R646-V650 WeakPolarHBondContact O-CG2 3.25Å; R646-V650 PolarHBondContact O-N 3.4Å; R647-V650 WeakPolarHBondContact O-CG2 3.28Å; C648-V650 PolarHBondContact O-N 2.98Å; V650-D655 HydrophobicContact CG1-CB 3.62Å; V650-R656 HydrophobicContact CB-CB 3.99Å; V650-R656 HydrophobicContact CB-CG 4.25Å; V650-R656 PolarHBondContact O-NE 2.89Å; V650-R656 PolarHBondContact O-NH2 2.92Å
651	Y	97.8	Very high	97.8	Very high	80 Å²	80	51.4 Å²	51.4	31%	0.314	23%	0.234	S	C	.	.	S	Bend	trans	-59.8	-53.6	-175.8	-180	-96.2	0	0	0	112.3	P573 L624 A626 T627 L649 K653 R656	P573-Y651 HydrophobicContact CB-CD2 3.99Å; P573-Y651 HydrophobicContact CB-CE2 3.6Å; P573-Y651 HydrophobicContact CG-CD2 3.53Å; P573-Y651 HydrophobicContact CG-CE2 3.64Å; P573-Y651 HydrophobicContact CG-CG 4.38Å; L624-Y651 WeakPolarHBondContact O-CE2 3.35Å; L624-Y651 PolarHBondContact O-OH 3.06Å; A626-Y651 WeakPolarHBondContact O-CD2 3.46Å; T627-Y651 HydrophobicContact CG2-CD2 4.03Å; T627-Y651 HydrophobicContact CG2-CE2 4.11Å; T627-Y651 HydrophobicContact CG2-CG 4.26Å; L649-Y651 PolarHBondContact O-N 3.5Å; Y651-K653 PolarHBondContact O-N 3.38Å; Y651-R656 PolarHBondContact O-NH2 3.37Å
652	R	96.7	Very high	97.8	Very high	154 Å²	154	51.4 Å²	51.4	58%	0.581	23%	0.234	S	C	*	.	S	Bend	trans	-75.4	122.3	177.6	-62.8	-174.6	69.2	165.8	0.7	109.7	E654 D655 R656	R652-E654 IonicContact NE-OE2 3.43Å; R652-E654 PolarHBondContact O-N 3.36Å; R652-D655 HydrophobicContact CB-CB 4.43Å; R652-D655 WeakPolarHBondContact CB-OD2 3.4Å; R652-D655 PolarHBondContact O-N 3.46Å; R652-R656 PolarHBondContact O-N 3.05Å; R652-R656 VanDerWaalsContact O-N 3.12Å
653	K	95.6	Very high	97.7	Very high	52 Å²	52	49.7 Å²	49.7	23%	0.226	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25	-178.5	70.4	-174.4	-177.2	-164.6	0	112.5	E574 K584 K588 Y651 D655 R656	E574-K653 HydrophobicContact CB-CD 4.15Å; E574-K653 HydrophobicContact CG-CD 4.08Å; K584-K653 PolarHBondContact O-NZ 2.87Å; K588-K653 WeakPolarHBondContact CD-O 3.32Å; K588-K653 WeakPolarHBondContact CE-O 3.24Å; K588-K653 PolarHBondContact NZ-O 3.39Å; Y651-K653 PolarHBondContact O-N 3.38Å; K653-D655 VanDerWaalsContact C-N 3.31Å; K653-D655 PolarHBondContact O-N 3.3Å; K653-R656 PolarHBondContact O-N 3.32Å
654	E	94.9	Very high	97.6	Very high	110 Å²	110	52.1 Å²	52.1	51%	0.514	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-39.9	177.5	-61.3	70.5	-144.4	0	0	110.8	K588 R652	K588-E654 PolarHBondContact NZ-O 3.32Å; R652-E654 IonicContact NE-OE2 3.43Å; R652-E654 PolarHBondContact O-N 3.36Å
655	D	96.7	Very high	97.5	Very high	105 Å²	105	52.5 Å²	52.5	56%	0.561	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-18.2	-178.9	-58	-39.5	0	0	0	112.9	V650 R652 K653	V650-D655 HydrophobicContact CG1-CB 3.62Å; R652-D655 HydrophobicContact CB-CB 4.43Å; R652-D655 WeakPolarHBondContact CB-OD2 3.4Å; R652-D655 PolarHBondContact O-N 3.46Å; K653-D655 VanDerWaalsContact C-N 3.31Å; K653-D655 PolarHBondContact O-N 3.3Å
656	R	98	Very high	97.4	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.008	28%	0.279	C	S	.	.	S	Bend	trans	-69.9	136.9	176.7	-163.7	-174.9	-57	143.6	10.4	110	E574 K588 V591 C648 V650 Y651 R652 K653	E574-R656 IonicContact OE1-CZ 3.6Å; E574-R656 IonicContact OE1-NH1 3.5Å; E574-R656 PolarHBondContact OE1-NH1 3.08Å; E574-R656 IonicContact OE1-NH2 2.81Å; E574-R656 IonicContact OE2-CZ 3.63Å; E574-R656 IonicContact OE2-NH1 2.89Å; E574-R656 IonicContact OE2-NH2 2.81Å; E574-R656 PolarHBondContact OE2-NH2 2.9Å; K588-R656 HydrophobicContact CD-CB 4.43Å; K588-R656 WeakPolarHBondContact CD-O 3.41Å; K588-R656 WeakPolarHBondContact CE-O 3.35Å; K588-R656 PolarHBondContact NZ-O 2.83Å; K588-R656 WeakPolarHBondContact O-CD 3.2Å; K588-R656 PolarHBondContact O-NH1 3.05Å; V591-R656 HydrophobicContact CG1-CG 4.26Å; C648-R656 VanDerWaalsContact O-CD 3.26Å; C648-R656 WeakPolarHBondContact O-CD 3.41Å; C648-R656 WeakPolarHBondContact O-CG 3.42Å; V650-R656 HydrophobicContact CB-CB 3.99Å; V650-R656 HydrophobicContact CB-CG 4.25Å; V650-R656 PolarHBondContact O-NE 2.89Å; V650-R656 PolarHBondContact O-NH2 2.92Å; Y651-R656 PolarHBondContact O-NH2 3.37Å; R652-R656 PolarHBondContact O-N 3.05Å; R652-R656 VanDerWaalsContact O-N 3.12Å; K653-R656 PolarHBondContact O-N 3.32Å
657	I	97.9	Very high	97.3	Very high	25 Å²	25	53.2 Å²	53.2	13%	0.128	26%	0.263	C	S	.	.			trans	-62.3	149.5	174.6	63.6	178.8	0	0	0	110.9	V591 R647 Q661 L662	V591-I657 HydrophobicContact CG1-CD1 4.5Å; V591-I657 HydrophobicContact CG1-CG1 3.81Å; R647-I657 HydrophobicContact CB-CD1 4.08Å; I657-Q661 VanDerWaalsContact CA-OE1 3.24Å; I657-Q661 HydrophobicContact CB-CB 3.98Å; I657-Q661 HydrophobicContact CG2-CB 4.45Å; I657-L662 HydrophobicContact CD1-CB 4.06Å; I657-L662 HydrophobicContact CD1-CD1 3.86Å
658	D	97.8	Very high	97.1	Very high	42 Å²	42	49.7 Å²	49.7	23%	0.225	25%	0.251	C	S	.	.			trans	-86.9	178.7	170.9	71.7	23.6	0	0	0	112.3	N587 K588 H660 Q661 L662	N587-D658 WeakPolarHBondContact OD1-CB 3.35Å; K588-D658 HydrophobicContact CG-CB 4.18Å; D658-H660 VanDerWaalsContact C-N 3.32Å; D658-H660 PolarHBondContact O-N 3.42Å; D658-H660 WeakPolarHBondContact OD1-CA 3.18Å; D658-H660 PolarHBondContact OD1-N 2.93Å; D658-Q661 PolarHBondContact O-N 3.28Å; D658-Q661 WeakPolarHBondContact OD1-CB 3.49Å; D658-Q661 WeakPolarHBondContact OD1-CG 3.44Å; D658-Q661 PolarHBondContact OD1-N 3.43Å; D658-L662 VanDerWaalsContact O-CB 3.25Å; D658-L662 WeakPolarHBondContact O-CB 3.4Å; D658-L662 PolarHBondContact O-N 3.11Å
659	V	97.9	Very high	96.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-33.6	-179.4	171.6	0	0	0	0	112.6	L505 N509 N587 V591 L662 A663	L505-V659 HydrophobicContact CB-CG1 3.86Å; N509-V659 HydrophobicContact CB-CG1 4.32Å; N587-V659 HydrophobicContact CB-CB 4.38Å; N587-V659 HydrophobicContact CB-CG2 3.73Å; N587-V659 WeakPolarHBondContact O-CG2 3.45Å; V591-V659 HydrophobicContact CG2-CG2 3.82Å; V659-L662 PolarHBondContact O-N 2.9Å; V659-A663 WeakPolarHBondContact O-CB 3.39Å; V659-A663 PolarHBondContact O-N 3.45Å
660	H	97.1	Very high	95.7	Very high	80 Å²	80	57.7 Å²	57.7	37%	0.37	30%	0.297	S	S	.	.	H	α-helix	trans	-71.8	-41.4	-179.4	-59.7	-67.8	0	0	0	111.4	D658 A663 S664	D658-H660 VanDerWaalsContact C-N 3.32Å; D658-H660 PolarHBondContact O-N 3.42Å; D658-H660 WeakPolarHBondContact OD1-CA 3.18Å; D658-H660 PolarHBondContact OD1-N 2.93Å; H660-A663 PolarHBondContact O-N 2.84Å; H660-S664 PolarHBondContact O-N 3.4Å; H660-S664 PolarHBondContact O-OG 3.28Å; H660-S664 VanDerWaalsContact O-OG 3.12Å
661	Q	97.9	Very high	94.5	Very high	105 Å²	105	63.9 Å²	63.9	49%	0.491	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-43.8	172	-69.1	174.7	-31.4	0	0	111.1	I657 D658 A663 S664 D665	I657-Q661 VanDerWaalsContact CA-OE1 3.24Å; I657-Q661 HydrophobicContact CB-CB 3.98Å; I657-Q661 HydrophobicContact CG2-CB 4.45Å; D658-Q661 PolarHBondContact O-N 3.28Å; D658-Q661 WeakPolarHBondContact OD1-CB 3.49Å; D658-Q661 WeakPolarHBondContact OD1-CG 3.44Å; D658-Q661 PolarHBondContact OD1-N 3.43Å; Q661-A663 VanDerWaalsContact C-N 3.32Å; Q661-A663 PolarHBondContact O-N 2.93Å; Q661-S664 CarbonylContact O-C 3.53Å; Q661-S664 PolarHBondContact O-N 2.91Å; Q661-S664 VanDerWaalsContact O-N 3.09Å; Q661-D665 PolarHBondContact O-N 2.99Å; Q661-D665 VanDerWaalsContact O-N 3.12Å
662	L	97.9	Very high	92.7	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-58.3	-43.2	175.1	-179.7	66.3	0	0	0	111.8	V502 V591 V594 F644 I657 D658 V659 S664 D665	V502-L662 HydrophobicContact CG1-CD2 4.44Å; V502-L662 HydrophobicContact CG1-CG 4.11Å; V502-L662 HydrophobicContact CG2-CD2 3.71Å; V502-L662 HydrophobicContact CG2-CG 3.87Å; V591-L662 HydrophobicContact CB-CD2 4.43Å; V591-L662 HydrophobicContact CG1-CD2 4.3Å; V591-L662 HydrophobicContact CG2-CD2 4.03Å; V594-L662 HydrophobicContact CB-CD2 4.39Å; V594-L662 HydrophobicContact CG1-CD2 4.23Å; V594-L662 HydrophobicContact CG2-CD2 4.39Å; F644-L662 HydrophobicContact CE2-CD1 3.52Å; F644-L662 HydrophobicContact CZ-CD1 3.66Å; I657-L662 HydrophobicContact CD1-CB 4.06Å; I657-L662 HydrophobicContact CD1-CD1 3.86Å; D658-L662 VanDerWaalsContact O-CB 3.25Å; D658-L662 WeakPolarHBondContact O-CB 3.4Å; D658-L662 PolarHBondContact O-N 3.11Å; V659-L662 PolarHBondContact O-N 2.9Å; L662-S664 PolarHBondContact O-N 3.46Å; L662-D665 VanDerWaalsContact O-CB 3.28Å; L662-D665 WeakPolarHBondContact O-CB 3.27Å; L662-D665 PolarHBondContact O-N 3.49Å; L662-D665 VanDerWaalsContact O-N 3.16Å
663	A	96.9	Very high	90.4	Very high	14 Å²	14	71.3 Å²	71.3	12%	0.116	36%	0.36	C	S	.	.	H	α-helix	trans	-66.2	-19.8	177.9	0	0	0	0	0	114.1	V502 K506 V659 H660 Q661 M669	V502-A663 VanDerWaalsContact CG1-CA 3.46Å; V502-A663 HydrophobicContact CG1-CB 3.82Å; K506-A663 HydrophobicContact CB-CB 4.19Å; K506-A663 HydrophobicContact CD-CB 3.9Å; K506-A663 HydrophobicContact CG-CB 4.32Å; V659-A663 WeakPolarHBondContact O-CB 3.39Å; V659-A663 PolarHBondContact O-N 3.45Å; H660-A663 PolarHBondContact O-N 2.84Å; Q661-A663 VanDerWaalsContact C-N 3.32Å; Q661-A663 PolarHBondContact O-N 2.93Å; A663-M669 WeakPolarHBondContact O-CE 3.44Å
664	S	95.9	Very high	88	Confident	83 Å²	83	78 Å²	78	58%	0.58	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	8.3	177.5	-50.1	0	0	0	0	112.5	H660 Q661 L662	H660-S664 PolarHBondContact O-N 3.4Å; H660-S664 PolarHBondContact O-OG 3.28Å; H660-S664 VanDerWaalsContact O-OG 3.12Å; Q661-S664 CarbonylContact O-C 3.53Å; Q661-S664 PolarHBondContact O-N 2.91Å; Q661-S664 VanDerWaalsContact O-N 3.09Å; L662-S664 PolarHBondContact O-N 3.46Å
665	D	97.3	Very high	85.6	Confident	8 Å²	8	77.9 Å²	77.9	4%	0.043	40%	0.4	C	S	.	.			trans	-65.2	132	-174.6	-170.6	-69.3	0	0	0	111.4	F644 R647 Q661 L662 F667 L668 M669	F644-D665 HydrophobicContact CD2-CB 4.34Å; F644-D665 HydrophobicContact CE2-CB 4.22Å; R647-D665 IonicContact CZ-OD1 3.16Å; R647-D665 IonicContact CZ-OD2 3.06Å; R647-D665 IonicContact NE-OD2 3.36Å; R647-D665 PolarHBondContact NE-OD2 3.48Å; R647-D665 VanDerWaalsContact NH2-CG 3.25Å; R647-D665 IonicContact NH2-OD1 3.07Å; R647-D665 PolarHBondContact NH2-OD1 3.35Å; R647-D665 IonicContact NH2-OD2 3.49Å; R647-D665 PolarHBondContact NH2-OD2 3.42Å; Q661-D665 PolarHBondContact O-N 2.99Å; Q661-D665 VanDerWaalsContact O-N 3.12Å; L662-D665 VanDerWaalsContact O-CB 3.28Å; L662-D665 WeakPolarHBondContact O-CB 3.27Å; L662-D665 PolarHBondContact O-N 3.49Å; L662-D665 VanDerWaalsContact O-N 3.16Å; D665-F667 PolarHBondContact O-N 2.92Å; D665-F667 VanDerWaalsContact O-N 3.07Å; D665-F667 WeakPolarHBondContact OD1-CB 3.42Å; D665-F667 PolarHBondContact OD1-N 2.9Å; D665-L668 PolarHBondContact O-N 2.87Å; D665-M669 PolarHBondContact O-N 3.07Å
666	P	95.5	Very high	83	Confident	106 Å²	106	79.4 Å²	79.4	69%	0.688	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.8	-179.1	-27.1	34.4	0	0	0	114.4	L668 M669	P666-L668 VanDerWaalsContact C-N 3.26Å; P666-L668 PolarHBondContact O-N 3Å; P666-M669 PolarHBondContact O-N 2.63Å
667	F	96.6	Very high	80.4	Confident	22 Å²	22	83.2 Å²	83.2	10%	0.096	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-33.3	177.7	-178.4	-107.5	0	0	0	111.9	R495 F598 E640 A641 F644 D665	R495-F667 HydrophobicContact CB-CE1 4.28Å; R495-F667 HydrophobicContact CB-CZ 4.33Å; R495-F667 HydrophobicContact CG-CE1 3.92Å; R495-F667 HydrophobicContact CG-CZ 4.16Å; R495-F667 VanDerWaalsContact CZ-O 3.23Å; R495-F667 PolarHBondContact NE-O 2.9Å; R495-F667 PolarHBondContact NH2-O 2.93Å; F598-F667 HydrophobicContact CE1-CD1 4.47Å; F598-F667 AromaticContact CE1-CE1 3.52Å; F598-F667 HydrophobicContact CE1-CE1 3.52Å; F598-F667 AromaticContact CE1-CZ 3.84Å; F598-F667 HydrophobicContact CE1-CZ 3.84Å; F598-F667 AromaticContact CZ-CE1 3.57Å; F598-F667 HydrophobicContact CZ-CE1 3.57Å; F598-F667 AromaticContact CZ-CZ 3.64Å; F598-F667 HydrophobicContact CZ-CZ 3.64Å; E640-F667 HydrophobicContact CB-CD2 4.04Å; E640-F667 HydrophobicContact CB-CE2 4.38Å; A641-F667 HydrophobicContact CB-CE2 3.7Å; A641-F667 HydrophobicContact CB-CZ 3.69Å; F644-F667 HydrophobicContact CB-CB 3.94Å; F644-F667 HydrophobicContact CB-CD1 3.81Å; F644-F667 HydrophobicContact CB-CD2 4.45Å; F644-F667 HydrophobicContact CB-CE1 4.49Å; F644-F667 HydrophobicContact CB-CG 3.8Å; F644-F667 AromaticContact CD1-CD1 3.82Å; F644-F667 HydrophobicContact CD1-CD1 3.82Å; F644-F667 HydrophobicContact CD1-CE1 4.14Å; F644-F667 HydrophobicContact CD2-CB 3.79Å; F644-F667 AromaticContact CD2-CD1 3.74Å; F644-F667 HydrophobicContact CD2-CD1 3.74Å; F644-F667 HydrophobicContact CD2-CG 4.11Å; F644-F667 HydrophobicContact CE1-CD1 4.32Å; F644-F667 HydrophobicContact CE2-CD1 4.24Å; F644-F667 HydrophobicContact CG-CB 4.07Å; F644-F667 AromaticContact CG-CD1 3.5Å; F644-F667 HydrophobicContact CG-CD1 3.5Å; F644-F667 HydrophobicContact CG-CE1 4.23Å; F644-F667 AromaticContact CG-CG 3.94Å; F644-F667 HydrophobicContact CG-CG 3.94Å; D665-F667 PolarHBondContact O-N 2.92Å; D665-F667 VanDerWaalsContact O-N 3.07Å; D665-F667 WeakPolarHBondContact OD1-CB 3.42Å; D665-F667 PolarHBondContact OD1-N 2.9Å
668	L	94.8	Very high	78	Confident	7 Å²	7	87.3 Å²	87.3	4%	0.037	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-16.4	-177.6	-58	-176.2	0	0	0	113.1	R495 I498 M499 V502 F644 D665 P666	R495-L668 HydrophobicContact CG-CD2 4.48Å; R495-L668 VanDerWaalsContact NH2-C 3.28Å; R495-L668 PolarHBondContact NH2-O 3.2Å; I498-L668 HydrophobicContact CG2-CD1 4.34Å; I498-L668 HydrophobicContact CG2-CD2 3.93Å; M499-L668 WeakPolarHBondContact CE-O 3.35Å; M499-L668 HydrophobicContact CG-CB 4.17Å; M499-L668 HydrophobicContact CG-CD2 3.89Å; V502-L668 HydrophobicContact CB-CD1 4.14Å; V502-L668 HydrophobicContact CG1-CD1 4.1Å; V502-L668 HydrophobicContact CG2-CD1 3.85Å; F644-L668 HydrophobicContact CE2-CD1 3.87Å; F644-L668 HydrophobicContact CE2-CD2 4.12Å; F644-L668 HydrophobicContact CE2-CG 3.83Å; F644-L668 HydrophobicContact CZ-CD1 4.03Å; F644-L668 HydrophobicContact CZ-CD2 4.08Å; F644-L668 HydrophobicContact CZ-CG 4.2Å; D665-L668 PolarHBondContact O-N 2.87Å; P666-L668 VanDerWaalsContact C-N 3.26Å; P666-L668 PolarHBondContact O-N 3Å
669	M	88.5	Confident	75.3	Confident	83 Å²	83	90.4 Å²	90.4	41%	0.409	50%	0.501	S	S	.	.	S	Bend	trans	-65.4	143.2	177.8	-67.7	-62.3	109.8	0	0	111.9	R495 A663 D665 P666 H671	R495-M669 PolarHBondContact NH2-O 3.28Å; A663-M669 WeakPolarHBondContact O-CE 3.44Å; D665-M669 PolarHBondContact O-N 3.07Å; P666-M669 PolarHBondContact O-N 2.63Å; M669-H671 PolarHBondContact O-N 3.22Å
670	P	79.8	Confident	72.4	Confident	94 Å²	94	93.9 Å²	93.9	61%	0.61	54%	0.537	S	S	*	.			trans	-57.3	139.5	171.1	-19.5	30.7	0	0	0	110.3	I672	P670-I672 PolarHBondContact O-N 2.83Å
671	H	72.8	Confident	69.6	Low	169 Å²	169	95.5 Å²	95.5	78%	0.782	56%	0.557	S	S	*	*			trans	-64.3	99.2	169.4	-64.3	-61.6	0	0	0	108.5	M669 R673	M669-H671 PolarHBondContact O-N 3.22Å; H671-R673 PolarHBondContact O-N 3Å
672	I	59.5	Low	66.9	Low	153 Å²	153	96.6 Å²	96.6	79%	0.785	58%	0.577	S	S	*	*			trans	-62.9	105.2	170.8	-60.5	171.8	0	0	0	105.6	P670 K674	P670-I672 PolarHBondContact O-N 2.83Å; I672-K674 PolarHBondContact O-N 3.23Å
673	R	49.4	Very low	63.8	Low	237 Å²	237	99.9 Å²	99.9	89%	0.894	61%	0.61	S	S	*	*			trans	-60.3	109.2	165.3	-68.3	-174.9	-174.8	-178.4	1.8	105.1	H671 S675	H671-R673 PolarHBondContact O-N 3Å; R673-S675 VanDerWaalsContact C-N 3.3Å; R673-S675 PolarHBondContact O-N 3Å
674	K	45.6	Very low	60.9	Low	194 Å²	194	106 Å²	106	84%	0.843	65%	0.647	S	S	*	*			trans	-57.3	104	164.9	-73.4	-177.3	178.9	-179.8	0	105.4	I672 V676	I672-K674 PolarHBondContact O-N 3.23Å; K674-V676 PolarHBondContact O-N 3.39Å; K674-V676 VanDerWaalsContact O-N 3.16Å
675	S	42.9	Very low	57.9	Low	106 Å²	106	106.8 Å²	106.8	74%	0.741	66%	0.658	S	S	*	*			trans	-55.2	123.1	161.5	46.5	0	0	0	0	105.2	R673 A677	R673-S675 VanDerWaalsContact C-N 3.3Å; R673-S675 PolarHBondContact O-N 3Å; S675-A677 PolarHBondContact O-N 3.49Å
676	V	43.8	Very low	54.9	Low	137 Å²	137	113 Å²	113	83%	0.83	70%	0.696	S	S	*	*			trans	-61.3	97.1	169.9	-179.7	0	0	0	0	104.9	K674 S678	K674-V676 PolarHBondContact O-N 3.39Å; K674-V676 VanDerWaalsContact O-N 3.16Å; V676-S678 PolarHBondContact O-N 3.49Å
677	A	42.2	Very low	52	Low	82 Å²	82	112.8 Å²	112.8	68%	0.678	70%	0.703	S	S	*	*			trans	-68.5	92.7	165.1	0	0	0	0	0	106	S675 S679	S675-A677 PolarHBondContact O-N 3.49Å; A677-S679 PolarHBondContact O-N 2.83Å
678	S	47.8	Very low	48.9	Very low	112 Å²	112	117.1 Å²	117.1	78%	0.783	74%	0.736	S	S	*	*			trans	-69.4	74.5	157.5	62.4	0	0	0	0	107.7	V676 G680	V676-S678 PolarHBondContact O-N 3.49Å; S678-G680 PolarHBondContact O-N 3.43Å
679	S	41.6	Very low	46.1	Very low	106 Å²	106	123.6 Å²	123.6	74%	0.741	78%	0.776	S	S	*	*			trans	-82.5	100.5	162	53.1	0	0	0	0	106.6	A677 S681	A677-S679 PolarHBondContact O-N 2.83Å; S679-S681 PolarHBondContact O-N 3.28Å
680	G	36.8	Very low	43.5	Very low	73 Å²	73	125.1 Å²	125.1	75%	0.753	80%	0.795	S	S	*	*			trans	-53.4	133.7	178.9	0	0	0	0	0	111.9	S678 S682	S678-G680 PolarHBondContact O-N 3.43Å; G680-S682 PolarHBondContact O-N 3.42Å
681	S	37.5	Very low	41.2	Very low	115 Å²	115	126 Å²	126	80%	0.804	80%	0.803	S	S	*	*			trans	-63.2	118.6	160.2	58.1	0	0	0	0	108.2	S679 G683	S679-S681 PolarHBondContact O-N 3.28Å; S681-G683 VanDerWaalsContact C-N 3.28Å; S681-G683 PolarHBondContact O-N 3.48Å
682	S	40.8	Very low	39.3	Very low	128 Å²	128	123 Å²	123	90%	0.895	80%	0.801	S	S	*	*			trans	-59.6	90	161.8	33.9	0	0	0	0	109.5	G680	G680-S682 PolarHBondContact O-N 3.42Å
683	G	33.6	Very low	38	Very low	68 Å²	68	121 Å²	121	70%	0.701	80%	0.801	S	S	*	*			trans	-97.5	115.5	166.3	0	0	0	0	0	109.2	S681	S681-G683 VanDerWaalsContact C-N 3.28Å; S681-G683 PolarHBondContact O-N 3.48Å
684	T	35.5	Very low	37.2	Very low	144 Å²	144	117.5 Å²	117.5	88%	0.883	80%	0.8	S	S	*	*			trans	-55.2	143.3	174	28.2	0	0	0	0	112.5
685	A	33.9	Very low	36.7	Very low	98 Å²	98	113.2 Å²	113.2	81%	0.81	79%	0.794	S	S	*	*			trans	-62	138.3	179.9	0	0	0	0	0	113.4
686	V	34.8	Very low	36.4	Very low	139 Å²	139	113.6 Å²	113.6	84%	0.842	80%	0.797	S	S	*	*			trans	-141	121.9	140.9	-174.8	0	0	0	0	107.8
687	A	34.3	Very low	36.1	Very low	101 Å²	101	111 Å²	111	84%	0.835	79%	0.79	S	S	*	*			trans	-75.8	130.9	171.8	0	0	0	0	0	109.8
688	S	31.7	Very low	36	Very low	114 Å²	114	112.2 Å²	112.2	80%	0.797	79%	0.793	S	S	*	*			trans	-141.1	111.4	162.6	57.1	0	0	0	0	109.6
689	T	34.8	Very low	35.6	Very low	142 Å²	142	118 Å²	118	87%	0.871	82%	0.815	S	S	*	*			trans	-69.6	126.1	169.2	46.9	0	0	0	0	110.7
690	S	33.5	Very low	35.3	Very low	115 Å²	115	118.6 Å²	118.6	80%	0.804	82%	0.819	S	S	*	*			trans	-167	120.8	145	54.5	0	0	0	0	111.2
691	S	32.2	Very low	35.2	Very low	112 Å²	112	120.9 Å²	120.9	78%	0.783	82%	0.822	S	S	*	*			trans	-54.4	141.9	166.3	49.2	0	0	0	0	114.5
692	S	32.2	Very low	35.1	Very low	108 Å²	108	121.3 Å²	121.3	76%	0.755	82%	0.824	S	S	*	*			trans	180	115.7	133.5	45.4	0	0	0	0	113.8
693	S	33.3	Very low	34.8	Very low	110 Å²	110	120.9 Å²	120.9	77%	0.769	82%	0.819	S	S	*	*			trans	57.7	113	134.1	60.6	0	0	0	0	123.2
694	N	32.8	Very low	34.9	Very low	163 Å²	163	124.2 Å²	124.2	87%	0.872	83%	0.827	S	S	*	*				29.8	122.9	120.8	-82.9	-1.2	0	0	0	121.2
695	S	34.9	Very low	34.8	Very low	104 Å²	104	122.9 Å²	122.9	73%	0.727	82%	0.823	S	S	*	*				-172.2	110.4	120.3	53.2	0	0	0	0	108.4
696	S	35.3	Very low	34.9	Very low	115 Å²	115	124.6 Å²	124.6	80%	0.804	82%	0.824	S	S	*	*				40.9	131.2	86.5	65.2	0	0	0	0	113.4
697	A	38.2	Very low	34.9	Very low	83 Å²	83	123.5 Å²	123.5	69%	0.686	82%	0.822	S	S	*	*			cis	-176.3	170.5	1.7	0	0	0	0	0	107.9
698	S	40.3	Very low	34.9	Very low	106 Å²	106	125.4 Å²	125.4	74%	0.741	82%	0.821	S	S	*	*			trans	75.2	134.7	148.3	-40.2	0	0	0	0	117
699	N	40	Very low	35.2	Very low	233 Å²	233	126.5 Å²	126.5	100%	1.246	82%	0.824	S	S	*	*			cis	-153.9	0	6.1	-106.8	-11.8	0	0	0	108.3

Retrieved 699 of 699 residues in 300.2 ms (Link to these results)

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