A0A087Y7U3_POEFO Loading...

Mitogen-activated protein kinase kinase kinase 3

AlphaFold DB , UniProt , Accession A0A087Y7U3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 617 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	S	47.1	Very low	46	Very low	123 Å²	123	102 Å²	102	86%	0.86	53%	0.534	S	S	*	.				0	-25.5	0	-158.9	0	0	0	0	112	R4	S1-R4 PolarHBondContact O-N 2.96Å
2	D	40.6	Very low	46.8	Very low	107 Å²	107	104.3 Å²	104.3	57%	0.572	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-26.8	-135.5	-45.3	-77.8	0	0	0	110.4	R4 Q5 A6	D2-R4 PolarHBondContact O-N 3.06Å; D2-R4 VanDerWaalsContact O-N 3.14Å; D2-Q5 CarbonylContact O-C 3.47Å; D2-Q5 WeakPolarHBondContact O-CA 3.28Å; D2-Q5 PolarHBondContact O-N 2.96Å; D2-A6 WeakPolarHBondContact O-CB 3.16Å; D2-A6 PolarHBondContact O-N 2.84Å
3	E	37.8	Very low	47.4	Very low	164 Å²	164	102.2 Å²	102.2	77%	0.766	53%	0.527	S	S	*	.	H	α-helix	trans	-47.8	-37.7	165.7	-58.9	175.6	145.1	0	0	113	L7	E3-L7 WeakPolarHBondContact O-CB 3.32Å; E3-L7 PolarHBondContact O-N 2.97Å
4	R	38.8	Very low	47.8	Very low	120 Å²	120	96.6 Å²	96.6	45%	0.453	50%	0.499	S	S	.	.	H	α-helix	trans	-75.3	-31.8	178.9	-66.6	-176.9	179.6	155.7	5.3	112.5	S1 D2 H8 R516	S1-R4 PolarHBondContact O-N 2.96Å; D2-R4 PolarHBondContact O-N 3.06Å; D2-R4 VanDerWaalsContact O-N 3.14Å; R4-H8 WeakPolarHBondContact O-CB 3.29Å; R4-H8 PolarHBondContact O-N 2.92Å; R4-R516 PolarHBondContact NH2-O 3.09Å
5	Q	41.8	Very low	48.5	Very low	139 Å²	139	94.4 Å²	94.4	65%	0.65	49%	0.491	S	S	*	.	H	α-helix	trans	-75.5	-38.8	171.5	-80.1	-177.8	-31.8	0	0	111.1	D2 H8 S9	D2-Q5 CarbonylContact O-C 3.47Å; D2-Q5 WeakPolarHBondContact O-CA 3.28Å; D2-Q5 PolarHBondContact O-N 2.96Å; Q5-H8 PolarHBondContact O-N 3.01Å; Q5-S9 WeakPolarHBondContact O-CB 3.43Å; Q5-S9 PolarHBondContact O-N 2.86Å
6	A	46.9	Very low	48.7	Very low	45 Å²	45	91.6 Å²	91.6	37%	0.372	49%	0.486	S	S	.	.	H	α-helix	trans	-60	-50.4	172.7	0	0	0	0	0	111.1	D2 H8 S9 I10	D2-A6 WeakPolarHBondContact O-CB 3.16Å; D2-A6 PolarHBondContact O-N 2.84Å; A6-H8 VanDerWaalsContact C-N 3.33Å; A6-H8 PolarHBondContact O-N 3.33Å; A6-S9 PolarHBondContact O-N 3.46Å; A6-I10 HydrophobicContact CB-CD1 4.49Å; A6-I10 WeakPolarHBondContact O-CB 3.42Å; A6-I10 WeakPolarHBondContact O-CD1 3.31Å; A6-I10 WeakPolarHBondContact O-CG1 3.4Å; A6-I10 PolarHBondContact O-N 3.47Å
7	L	45.3	Very low	48.6	Very low	62 Å²	62	93.1 Å²	93.1	33%	0.325	49%	0.493	S	S	.	.	H	α-helix	trans	-55	-46.8	173.7	-106	162.5	0	0	0	112.2	E3 I10 M11 V518 M564	E3-L7 WeakPolarHBondContact O-CB 3.32Å; E3-L7 PolarHBondContact O-N 2.97Å; L7-I10 PolarHBondContact O-N 3.26Å; L7-M11 WeakPolarHBondContact O-CB 3.38Å; L7-M11 VanDerWaalsContact O-CG 3.3Å; L7-M11 WeakPolarHBondContact O-CG 3.44Å; L7-M11 PolarHBondContact O-N 2.92Å; L7-V518 HydrophobicContact CD1-CG2 4.2Å; L7-M564 HydrophobicContact CD1-SD 4.39Å; L7-M564 HydrophobicContact CD2-SD 3.82Å; L7-M564 HydrophobicContact CG-SD 4.32Å
8	H	48.5	Very low	48.7	Very low	116 Å²	116	93.2 Å²	93.2	54%	0.537	49%	0.491	S	S	.	.	H	α-helix	trans	-72.1	-28.1	-179.2	-174.8	-112.4	0	0	0	113.4	R4 Q5 A6 K12	R4-H8 WeakPolarHBondContact O-CB 3.29Å; R4-H8 PolarHBondContact O-N 2.92Å; Q5-H8 PolarHBondContact O-N 3.01Å; A6-H8 VanDerWaalsContact C-N 3.33Å; A6-H8 PolarHBondContact O-N 3.33Å; H8-K12 WeakPolarHBondContact O-CG 3.25Å; H8-K12 PolarHBondContact O-N 3.41Å
9	S	50.4	Low	48.3	Very low	55 Å²	55	95 Å²	95	39%	0.385	50%	0.498	S	S	.	.	H	α-helix	trans	-69.7	-58.4	168	-160	0	0	0	0	109.6	Q5 A6 M11 K12 D13	Q5-S9 WeakPolarHBondContact O-CB 3.43Å; Q5-S9 PolarHBondContact O-N 2.86Å; A6-S9 PolarHBondContact O-N 3.46Å; S9-M11 PolarHBondContact O-N 2.84Å; S9-M11 VanDerWaalsContact O-N 3.09Å; S9-K12 CarbonylContact O-C 3.55Å; S9-K12 WeakPolarHBondContact O-CA 3.41Å; S9-K12 WeakPolarHBondContact O-CB 3.32Å; S9-K12 PolarHBondContact O-N 2.92Å; S9-D13 WeakPolarHBondContact CB-OD2 3.34Å; S9-D13 WeakPolarHBondContact O-CB 3.46Å; S9-D13 PolarHBondContact O-N 3.11Å; S9-D13 PolarHBondContact OG-OD2 2.66Å
10	I	55.5	Low	48	Very low	93 Å²	93	95.6 Å²	95.6	48%	0.477	51%	0.505	S	S	.	.	H	α-helix	trans	-53.1	-39.2	-178.3	-67.5	163.6	0	0	0	111.6	A6 L7 D13 L14	A6-I10 HydrophobicContact CB-CD1 4.49Å; A6-I10 WeakPolarHBondContact O-CB 3.42Å; A6-I10 WeakPolarHBondContact O-CD1 3.31Å; A6-I10 WeakPolarHBondContact O-CG1 3.4Å; A6-I10 PolarHBondContact O-N 3.47Å; L7-I10 PolarHBondContact O-N 3.26Å; I10-D13 PolarHBondContact O-N 3.43Å; I10-L14 HydrophobicContact CG2-CD1 4.04Å; I10-L14 VanDerWaalsContact O-CB 3.24Å; I10-L14 WeakPolarHBondContact O-CB 3.34Å; I10-L14 WeakPolarHBondContact O-CD1 3.33Å; I10-L14 VanDerWaalsContact O-CG 3.23Å; I10-L14 WeakPolarHBondContact O-CG 3.5Å; I10-L14 PolarHBondContact O-N 3.07Å
11	M	53.5	Low	47.8	Very low	98 Å²	98	102.1 Å²	102.1	48%	0.483	52%	0.523	S	S	.	.	H	α-helix	trans	-66.3	-40.7	172.8	-73.6	-174.4	75.6	0	0	113.4	L7 S9 V15	L7-M11 WeakPolarHBondContact O-CB 3.38Å; L7-M11 VanDerWaalsContact O-CG 3.3Å; L7-M11 WeakPolarHBondContact O-CG 3.44Å; L7-M11 PolarHBondContact O-N 2.92Å; S9-M11 PolarHBondContact O-N 2.84Å; S9-M11 VanDerWaalsContact O-N 3.09Å; M11-V15 WeakPolarHBondContact O-CG2 3.43Å; M11-V15 PolarHBondContact O-N 3.39Å
12	K	55.8	Low	47.5	Very low	129 Å²	129	105.7 Å²	105.7	56%	0.561	52%	0.518	S	S	*	.	H	α-helix	trans	-66.1	-41.4	172.4	-78.9	-178.4	168.3	-165.4	0	112.3	H8 S9 V15 A16	H8-K12 WeakPolarHBondContact O-CG 3.25Å; H8-K12 PolarHBondContact O-N 3.41Å; S9-K12 CarbonylContact O-C 3.55Å; S9-K12 WeakPolarHBondContact O-CA 3.41Å; S9-K12 WeakPolarHBondContact O-CB 3.32Å; S9-K12 PolarHBondContact O-N 2.92Å; K12-V15 PolarHBondContact O-N 2.98Å; K12-A16 WeakPolarHBondContact O-CB 3.27Å; K12-A16 PolarHBondContact O-N 3Å
13	D	54.8	Low	47	Very low	77 Å²	77	109.5 Å²	109.5	41%	0.412	53%	0.532	S	S	.	.	H	α-helix	trans	-70.1	-36.7	-177.5	-58.9	-38.6	0	0	0	110.4	S9 I10 A16 L17	S9-D13 WeakPolarHBondContact CB-OD2 3.34Å; S9-D13 WeakPolarHBondContact O-CB 3.46Å; S9-D13 PolarHBondContact O-N 3.11Å; S9-D13 PolarHBondContact OG-OD2 2.66Å; I10-D13 PolarHBondContact O-N 3.43Å; D13-A16 PolarHBondContact O-N 2.98Å; D13-L17 WeakPolarHBondContact O-CB 3.21Å; D13-L17 VanDerWaalsContact O-CG 3.23Å; D13-L17 WeakPolarHBondContact O-CG 3.46Å; D13-L17 PolarHBondContact O-N 3.14Å
14	L	53	Low	46.9	Very low	25 Å²	25	107 Å²	107	13%	0.131	53%	0.53	C	S	.	.	H	α-helix	trans	-60	-45.5	167.9	-83.4	166.2	0	0	0	112.5	I10 L17 Q18 F568 T572	I10-L14 HydrophobicContact CG2-CD1 4.04Å; I10-L14 VanDerWaalsContact O-CB 3.24Å; I10-L14 WeakPolarHBondContact O-CB 3.34Å; I10-L14 WeakPolarHBondContact O-CD1 3.33Å; I10-L14 VanDerWaalsContact O-CG 3.23Å; I10-L14 WeakPolarHBondContact O-CG 3.5Å; I10-L14 PolarHBondContact O-N 3.07Å; L14-L17 PolarHBondContact O-N 3.2Å; L14-Q18 PolarHBondContact O-N 2.77Å; L14-F568 HydrophobicContact CD1-CD2 4.39Å; L14-F568 HydrophobicContact CD2-CD2 3.87Å; L14-F568 HydrophobicContact CD2-CE2 3.77Å; L14-T572 HydrophobicContact CD2-CG2 3.46Å; L14-T572 VanDerWaalsContact CD2-CG2 3.46Å
15	V	57.6	Low	46.4	Very low	63 Å²	63	108 Å²	108	38%	0.382	55%	0.549	S	S	.	.	H	α-helix	trans	-64.9	-40.3	175.7	170.6	0	0	0	0	110.8	M11 K12 Q18 M19	M11-V15 WeakPolarHBondContact O-CG2 3.43Å; M11-V15 PolarHBondContact O-N 3.39Å; K12-V15 PolarHBondContact O-N 2.98Å; V15-Q18 PolarHBondContact O-N 2.84Å; V15-M19 WeakPolarHBondContact O-CG 3.41Å; V15-M19 PolarHBondContact O-N 3.01Å
16	A	51.4	Low	45.9	Very low	49 Å²	49	110.5 Å²	110.5	41%	0.405	56%	0.558	S	S	.	*	H	α-helix	trans	-62.7	-42.6	175.2	0	0	0	0	0	112.1	K12 D13 Q18 M19 T20	K12-A16 WeakPolarHBondContact O-CB 3.27Å; K12-A16 PolarHBondContact O-N 3Å; D13-A16 PolarHBondContact O-N 2.98Å; A16-Q18 VanDerWaalsContact C-N 3.31Å; A16-Q18 PolarHBondContact O-N 2.76Å; A16-M19 PolarHBondContact O-N 3.5Å; A16-M19 VanDerWaalsContact O-N 3.11Å; A16-T20 PolarHBondContact O-N 3.02Å; A16-T20 PolarHBondContact O-OG1 2.78Å; A16-T20 VanDerWaalsContact O-OG1 3.11Å
17	L	46.6	Very low	45	Very low	117 Å²	117	114 Å²	114	61%	0.613	58%	0.58	S	S	*	*	H	α-helix	trans	-64.3	-32.7	176.2	-74.7	167.3	0	0	0	112.8	D13 L14 T20	D13-L17 WeakPolarHBondContact O-CB 3.21Å; D13-L17 VanDerWaalsContact O-CG 3.23Å; D13-L17 WeakPolarHBondContact O-CG 3.46Å; D13-L17 PolarHBondContact O-N 3.14Å; L14-L17 PolarHBondContact O-N 3.2Å; L17-T20 WeakPolarHBondContact CA-OG1 3.33Å; L17-T20 PolarHBondContact O-OG1 2.98Å; L17-T20 VanDerWaalsContact O-OG1 3.11Å
18	Q	50.3	Low	44.3	Very low	96 Å²	96	121.5 Å²	121.5	45%	0.449	61%	0.605	S	S	.	*	H	α-helix	trans	-69.3	-40.1	169.9	-72.7	-176.1	-11.8	0	0	112.1	L14 V15 A16 R21	L14-Q18 PolarHBondContact O-N 2.77Å; V15-Q18 PolarHBondContact O-N 2.84Å; A16-Q18 VanDerWaalsContact C-N 3.31Å; A16-Q18 PolarHBondContact O-N 2.76Å; Q18-R21 PolarHBondContact O-N 3.31Å
19	M	42.4	Very low	43.3	Very low	127 Å²	127	123.3 Å²	123.3	63%	0.626	62%	0.619	S	S	*	*	H	α-helix	trans	-67.4	-38.9	178.5	-67.7	-64.8	170.7	0	0	112.7	V15 A16 R21 R22	V15-M19 WeakPolarHBondContact O-CG 3.41Å; V15-M19 PolarHBondContact O-N 3.01Å; A16-M19 PolarHBondContact O-N 3.5Å; A16-M19 VanDerWaalsContact O-N 3.11Å; M19-R21 PolarHBondContact O-N 3.27Å; M19-R22 PolarHBondContact O-N 3.47Å; M19-R22 VanDerWaalsContact O-N 3.08Å
20	T	41.2	Very low	42.4	Very low	106 Å²	106	126.2 Å²	126.2	65%	0.65	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-4.3	178.1	45.1	0	0	0	0	114.9	A16 L17 R22	A16-T20 PolarHBondContact O-N 3.02Å; A16-T20 PolarHBondContact O-OG1 2.78Å; A16-T20 VanDerWaalsContact O-OG1 3.11Å; L17-T20 WeakPolarHBondContact CA-OG1 3.33Å; L17-T20 PolarHBondContact O-OG1 2.98Å; L17-T20 VanDerWaalsContact O-OG1 3.11Å; T20-R22 VanDerWaalsContact C-N 3.29Å
21	R	44.5	Very low	41.2	Very low	234 Å²	234	124.7 Å²	124.7	88%	0.883	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-1.3	169.3	-98.6	-174.6	174	-174.8	-0.4	114.4	Q18 M19	Q18-R21 PolarHBondContact O-N 3.31Å; M19-R21 PolarHBondContact O-N 3.27Å
22	R	40.1	Very low	40.2	Very low	197 Å²	197	130.1 Å²	130.1	74%	0.743	67%	0.668	S	S	*	*	S	Bend	trans	-100.9	130.7	166.8	-62.3	-175.4	-179.7	-159.8	-0.6	108.9	M19 T20	M19-R22 PolarHBondContact O-N 3.47Å; M19-R22 VanDerWaalsContact O-N 3.08Å; T20-R22 VanDerWaalsContact C-N 3.29Å
23	Q	30.8	Very low	39.4	Very low	188 Å²	188	129.8 Å²	129.8	88%	0.879	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-64.6	137.9	-171.6	-71.5	-174.3	-15.1	0	0	112.5
24	P	36.1	Very low	38.4	Very low	110 Å²	110	135.6 Å²	135.6	71%	0.714	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-81.1	132.7	165.8	32.7	-31.5	0	0	0	110.6
25	V	28.7	Very low	37.1	Very low	141 Å²	141	141.6 Å²	141.6	86%	0.855	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-92.5	132.4	162.5	179.1	0	0	0	0	107.7
26	F	30.9	Very low	35.9	Very low	192 Å²	192	143.9 Å²	143.9	84%	0.842	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-72.4	142.4	177.5	-80.3	-97.1	0	0	0	111.7
27	S	27.5	Very low	34.8	Very low	118 Å²	118	148.1 Å²	148.1	83%	0.825	78%	0.778	S	S	*	*			trans	-143.8	163.8	152.4	-163.9	0	0	0	0	109.6
28	Y	30.3	Very low	34.1	Very low	220 Å²	220	151.1 Å²	151.1	86%	0.863	79%	0.789	S	S	*	*			trans	-96.4	148.9	-157.7	-78.3	-105.1	0	0	0	114.6
29	D	28.7	Very low	33.4	Very low	154 Å²	154	152.1 Å²	152.1	82%	0.824	81%	0.813	S	S	*	*			trans	-84.4	140.7	168.5	-179.9	25.9	0	0	0	111.2
30	S	30.6	Very low	33	Very low	116 Å²	116	153 Å²	153	81%	0.811	82%	0.821	S	S	*	*			trans	-154.5	136.4	161.1	58.2	0	0	0	0	107.9
31	G	30.6	Very low	33	Very low	62 Å²	62	158.6 Å²	158.6	64%	0.639	83%	0.83	S	S	*	*			trans	-155.6	169.8	-156.2	0	0	0	0	0	119.3
32	K	32.5	Very low	33.3	Very low	212 Å²	212	154.4 Å²	154.4	92%	0.922	82%	0.82	S	S	*	*			trans	76.2	158.5	168.2	-56.2	171.8	-174.3	168.1	0	115.1
33	P	39	Very low	34.9	Very low	121 Å²	121	150.5 Å²	150.5	79%	0.786	81%	0.814	S	S	*	*			cis	-127	162.8	5	39.8	-24.4	0	0	0	117.6
34	K	33.2	Very low	37.5	Very low	200 Å²	200	145.8 Å²	145.8	87%	0.87	80%	0.795	S	S	*	*			trans	-13.2	134.7	162.1	-57.5	172.6	176.9	179.9	0	119.5
35	T	27.3	Very low	40	Very low	151 Å²	151	140.6 Å²	140.6	93%	0.926	76%	0.761	S	S	*	*				-133.2	170.2	128.8	50.6	0	0	0	0	109.2
36	S	31.2	Very low	43	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	74%	0.743	S	S	*	*			trans	-131.1	118.1	-162.1	57.1	0	0	0	0	115.4
37	T	29	Very low	46	Very low	138 Å²	138	130.7 Å²	130.7	85%	0.847	70%	0.703	S	S	*	*			trans	-157	144.8	153.2	3.3	0	0	0	0	112
38	Q	31.2	Very low	49.2	Very low	181 Å²	181	129.1 Å²	129.1	85%	0.846	68%	0.681	S	S	*	*			trans	40	103.8	160.7	-65.9	-179.2	-10.2	0	0	118.7	N40	Q38-N40 PolarHBondContact O-N 3.47Å
39	A	35.7	Very low	52.2	Low	116 Å²	116	118.7 Å²	118.7	96%	0.959	64%	0.64	S	S	*	*			trans	-67.8	92.2	162.3	0	0	0	0	0	110.7
40	N	34.1	Very low	55.2	Low	147 Å²	147	114.9 Å²	114.9	79%	0.786	62%	0.618	S	S	*	*			trans	-88.1	152.8	173	-159.3	1.1	0	0	0	110.9	Q38 Q42	Q38-N40 PolarHBondContact O-N 3.47Å; N40-Q42 PolarHBondContact O-N 2.81Å
41	R	41.4	Very low	58.1	Low	222 Å²	222	111.2 Å²	111.2	84%	0.838	59%	0.586	S	S	*	*			trans	-70.8	115.7	-176.4	-70.4	179.1	178.8	153.1	-0.1	110.5	D43	R41-D43 PolarHBondContact O-N 2.89Å
42	Q	50.2	Low	60.5	Low	146 Å²	146	113.5 Å²	113.5	68%	0.682	59%	0.593	S	S	*	*			trans	-82.2	69.4	178.7	-156	162.4	2	0	0	109.7	N40 D44 R62	N40-Q42 PolarHBondContact O-N 2.81Å; Q42-D44 PolarHBondContact O-N 3.4Å; Q42-R62 HydrophobicContact CG-CB 4.37Å; Q42-R62 PolarHBondContact NE2-O 3.12Å
43	D	73.3	Confident	62.6	Low	115 Å²	115	106.2 Å²	106.2	62%	0.615	58%	0.577	S	S	*	*			trans	-68.1	120.8	178.6	-86.1	-25.7	0	0	0	110.9	R41 R62	R41-D43 PolarHBondContact O-N 2.89Å; D43-R62 PolarHBondContact O-NE 3.07Å
44	D	85.6	Confident	64.6	Low	89 Å²	89	104.7 Å²	104.7	48%	0.476	56%	0.56	S	S	.	*			trans	-59.6	139.8	-179.6	-62.7	-49	0	0	0	113	Q42 R46 V59	Q42-D44 PolarHBondContact O-N 3.4Å; D44-R46 PolarHBondContact O-N 3.37Å; D44-V59 HydrophobicContact CB-CG1 3.37Å
45	V	90.1	Very high	67.3	Low	1 Å²	1	101.7 Å²	101.7	1%	0.006	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	114.2	175	-176.3	0	0	0	0	109.5	I47 F60 R62 V64 L107 I116	V45-I47 HydrophobicContact CG1-CD1 4.29Å; V45-I47 HydrophobicContact CG1-CG1 3.88Å; V45-F60 PolarHBondContact N-O 3.18Å; V45-F60 PolarHBondContact O-N 2.82Å; V45-R62 HydrophobicContact CG2-CG 3.87Å; V45-V64 HydrophobicContact CB-CG2 3.71Å; V45-V64 HydrophobicContact CG1-CG2 4.28Å; V45-V64 HydrophobicContact CG2-CG2 3.6Å; V45-L107 HydrophobicContact CG1-CD2 4.18Å; V45-I116 HydrophobicContact CG1-CD1 3.91Å
46	R	91.2	Very high	70.2	Confident	126 Å²	126	99.2 Å²	99.2	48%	0.475	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	123.3	169.4	-78.6	175.7	-72.9	-96.2	-10.6	110.2	D44 L58 V59 K114 S115 I116	D44-R46 PolarHBondContact O-N 3.37Å; R46-L58 WeakPolarHBondContact CA-O 3.35Å; R46-V59 HydrophobicContact CG-CG2 4.29Å; R46-K114 PolarHBondContact NE-O 3.44Å; R46-K114 VanDerWaalsContact NE-O 3.08Å; R46-S115 CarbonylContact O-C 3.51Å; R46-S115 WeakPolarHBondContact O-CA 3.46Å; R46-S115 WeakPolarHBondContact O-CB 3.37Å; R46-I116 PolarHBondContact O-N 2.95Å
47	I	93.8	Very high	73.1	Confident	0 Å²	0	99 Å²	99	0%	0	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.5	175.6	-49.2	-174.7	0	0	0	109.2	V45 F49 I57 L58 F60 V64 I69 I116 I118	V45-I47 HydrophobicContact CG1-CD1 4.29Å; V45-I47 HydrophobicContact CG1-CG1 3.88Å; I47-F49 HydrophobicContact CB-CE2 3.71Å; I47-F49 HydrophobicContact CB-CZ 3.95Å; I47-F49 HydrophobicContact CG2-CD2 4.25Å; I47-F49 HydrophobicContact CG2-CE1 4.03Å; I47-F49 HydrophobicContact CG2-CE2 3.54Å; I47-F49 HydrophobicContact CG2-CZ 3.42Å; I47-F49 VanDerWaalsContact CG2-CZ 3.42Å; I47-I57 WeakPolarHBondContact O-CA 3.47Å; I47-L58 PolarHBondContact N-O 3.41Å; I47-L58 PolarHBondContact O-N 2.78Å; I47-F60 HydrophobicContact CB-CD2 4.38Å; I47-F60 HydrophobicContact CB-CE2 4.1Å; I47-F60 HydrophobicContact CD1-CD2 3.75Å; I47-F60 HydrophobicContact CD1-CE2 3.8Å; I47-F60 HydrophobicContact CD1-CG 4.45Å; I47-F60 HydrophobicContact CG1-CD2 3.89Å; I47-F60 HydrophobicContact CG1-CE2 4.04Å; I47-V64 HydrophobicContact CD1-CG1 4.42Å; I47-I69 HydrophobicContact CD1-CD1 3.51Å; I47-I69 HydrophobicContact CD1-CG1 4.16Å; I47-I116 HydrophobicContact CG1-CB 4.4Å; I47-I116 HydrophobicContact CG2-CB 4.31Å; I47-I116 HydrophobicContact CG2-CG2 4.24Å; I47-I118 HydrophobicContact CG2-CB 4.41Å; I47-I118 HydrophobicContact CG2-CD1 3.6Å; I47-I118 HydrophobicContact CG2-CG1 3.79Å
48	K	94.4	Very high	76	Confident	84 Å²	84	94 Å²	94	37%	0.365	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.6	178.3	-66	177.3	171.7	148.8	0	109.3	R56 I57 S115 I116 R117 I118	K48-R56 CarbonylContact C-O 3.56Å; K48-R56 WeakPolarHBondContact CA-O 3.29Å; K48-I57 HydrophobicContact CD-CD1 4.46Å; K48-I57 HydrophobicContact CG-CD1 4.19Å; K48-I57 HydrophobicContact CG-CG1 4.04Å; K48-I57 HydrophobicContact CG-CG2 4.1Å; K48-S115 WeakPolarHBondContact CD-OG 3.46Å; K48-S115 VanDerWaalsContact CE-OG 3.25Å; K48-S115 WeakPolarHBondContact CE-OG 3.24Å; K48-S115 PolarHBondContact NZ-OG 2.76Å; K48-I116 PolarHBondContact N-O 3.46Å; K48-R117 CarbonylContact O-C 3.56Å; K48-R117 WeakPolarHBondContact O-CA 3.46Å; K48-I118 PolarHBondContact O-N 2.94Å
49	F	94.3	Very high	78.8	Confident	2 Å²	2	89 Å²	89	1%	0.009	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.8	177.5	-64.8	-84	0	0	0	110.6	I47 K55 R56 L58 F60 I69 V73 F77 L83 I118 L120	I47-F49 HydrophobicContact CB-CE2 3.71Å; I47-F49 HydrophobicContact CB-CZ 3.95Å; I47-F49 HydrophobicContact CG2-CD2 4.25Å; I47-F49 HydrophobicContact CG2-CE1 4.03Å; I47-F49 HydrophobicContact CG2-CE2 3.54Å; I47-F49 HydrophobicContact CG2-CZ 3.42Å; I47-F49 VanDerWaalsContact CG2-CZ 3.42Å; F49-K55 CarbonylContact O-C 3.57Å; F49-K55 VanDerWaalsContact O-CA 3.32Å; F49-K55 WeakPolarHBondContact O-CA 3.32Å; F49-R56 PolarHBondContact N-O 2.81Å; F49-R56 PolarHBondContact O-N 3.02Å; F49-L58 HydrophobicContact CD2-CB 4.39Å; F49-L58 HydrophobicContact CD2-CD1 3.86Å; F49-L58 HydrophobicContact CD2-CG 3.99Å; F49-L58 HydrophobicContact CE2-CB 4.04Å; F49-L58 HydrophobicContact CE2-CD1 3.7Å; F49-L58 HydrophobicContact CE2-CG 4.02Å; F49-F60 HydrophobicContact CE2-CE2 4.08Å; F49-F60 HydrophobicContact CE2-CZ 4.37Å; F49-F60 HydrophobicContact CZ-CE2 4.33Å; F49-F60 HydrophobicContact CZ-CZ 4.36Å; F49-I69 HydrophobicContact CE1-CG2 3.87Å; F49-I69 HydrophobicContact CZ-CG2 3.76Å; F49-V73 HydrophobicContact CD1-CG2 3.84Å; F49-V73 HydrophobicContact CE1-CG2 3.61Å; F49-V73 HydrophobicContact CG-CG2 4.47Å; F49-V73 HydrophobicContact CZ-CG2 4.09Å; F49-F77 HydrophobicContact CB-CE2 4.44Å; F49-L83 HydrophobicContact CE1-CD2 3.94Å; F49-I118 CarbonylContact C-O 3.45Å; F49-I118 VanDerWaalsContact CA-O 3.29Å; F49-I118 WeakPolarHBondContact CA-O 3.43Å; F49-I118 HydrophobicContact CD1-CB 3.99Å; F49-I118 HydrophobicContact CD1-CG2 4.15Å; F49-I118 HydrophobicContact CE1-CB 4.01Å; F49-I118 HydrophobicContact CE1-CD1 3.95Å; F49-I118 HydrophobicContact CE1-CG1 4.46Å; F49-I118 HydrophobicContact CE1-CG2 4.13Å; F49-I118 HydrophobicContact CZ-CD1 4.34Å; F49-L120 HydrophobicContact CB-CD1 3.98Å; F49-L120 HydrophobicContact CD1-CD1 3.99Å; F49-L120 HydrophobicContact CD1-CD2 4.02Å; F49-L120 HydrophobicContact CD1-CG 4.08Å; F49-L120 HydrophobicContact CG-CD1 4.36Å
50	E	91.4	Very high	81.5	Confident	73 Å²	73	83.5 Å²	83.5	34%	0.341	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	114.5	177.9	-179.1	158.3	177.8	0	0	110.3	E54 K55 I118 M119 L120	E50-E54 WeakPolarHBondContact CA-O 3.35Å; E50-K55 HydrophobicContact CB-CG 4.47Å; E50-K55 HydrophobicContact CG-CD 4.46Å; E50-K55 HydrophobicContact CG-CG 4.15Å; E50-K55 WeakPolarHBondContact OE1-CE 3.37Å; E50-K55 IonicContact OE1-NZ 2.67Å; E50-K55 PolarHBondContact OE1-NZ 2.77Å; E50-K55 WeakPolarHBondContact OE2-CE 3.43Å; E50-K55 IonicContact OE2-NZ 2.76Å; E50-K55 PolarHBondContact OE2-NZ 3.41Å; E50-I118 PolarHBondContact N-O 3.18Å; E50-M119 WeakPolarHBondContact O-CA 3.25Å; E50-L120 PolarHBondContact O-N 3.43Å
51	Y	90.1	Very high	84	Confident	40 Å²	40	78.3 Å²	78.3	16%	0.157	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	124.3	-179.9	-176.7	-125.2	0	0	0	109.8	G53 E54 F77 Q79 L81 L120	Y51-G53 PolarHBondContact O-N 3.21Å; Y51-E54 PolarHBondContact N-O 3.05Å; Y51-E54 WeakPolarHBondContact O-CA 3.42Å; Y51-E54 WeakPolarHBondContact O-CB 3.33Å; Y51-E54 PolarHBondContact O-N 3.39Å; Y51-F77 AromaticContact CD1-CD1 3.8Å; Y51-F77 HydrophobicContact CD1-CD1 3.8Å; Y51-F77 HydrophobicContact CD1-CE1 4.23Å; Y51-F77 HydrophobicContact CG-CD1 4.36Å; Y51-F77 HydrophobicContact CG-CE1 4.48Å; Y51-Q79 PolarHBondContact OH-OE1 2.91Å; Y51-L81 HydrophobicContact CD1-CD1 4.28Å; Y51-L81 HydrophobicContact CD2-CD1 4.02Å; Y51-L81 HydrophobicContact CD2-CD2 4.15Å; Y51-L81 HydrophobicContact CE1-CD1 4.32Å; Y51-L81 HydrophobicContact CE2-CD1 4.08Å; Y51-L81 HydrophobicContact CE2-CD2 3.49Å; Y51-L81 VanDerWaalsContact CE2-CD2 3.49Å; Y51-L81 HydrophobicContact CE2-CG 4.46Å; Y51-L81 HydrophobicContact CG-CD1 4.12Å; Y51-L120 HydrophobicContact CD2-CB 3.91Å; Y51-L120 WeakPolarHBondContact CD2-O 3.36Å; Y51-L120 HydrophobicContact CG-CB 4.29Å
52	S	82.6	Confident	86	Confident	110 Å²	110	71.2 Å²	71.2	77%	0.769	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	30.3	175.9	-58.8	0	0	0	0	114.9	E54	S52-E54 VanDerWaalsContact C-N 3.33Å
53	G	75	Confident	87.7	Confident	58 Å²	58	69.1 Å²	69.1	60%	0.598	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-13.7	-176	0	0	0	0	0	115.4	Y51	Y51-G53 PolarHBondContact O-N 3.21Å
54	E	81.4	Confident	88.5	Confident	90 Å²	90	63.8 Å²	63.8	42%	0.421	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	140.4	169.8	-160.7	-169.8	154.6	0	0	110.5	E50 Y51 S52 R56	E50-E54 WeakPolarHBondContact CA-O 3.35Å; Y51-E54 PolarHBondContact N-O 3.05Å; Y51-E54 WeakPolarHBondContact O-CA 3.42Å; Y51-E54 WeakPolarHBondContact O-CB 3.33Å; Y51-E54 PolarHBondContact O-N 3.39Å; S52-E54 VanDerWaalsContact C-N 3.33Å; E54-R56 IonicContact OE1-CZ 3.02Å; E54-R56 IonicContact OE1-NE 3.67Å; E54-R56 PolarHBondContact OE1-NE 3.13Å; E54-R56 IonicContact OE1-NH2 2.71Å; E54-R56 PolarHBondContact OE1-NH2 3.23Å; E54-R56 IonicContact OE2-NH2 3.68Å
55	K	90	Very high	88.9	Confident	137 Å²	137	63.4 Å²	63.4	60%	0.596	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	124	-177.9	-51.7	-168.6	-170.5	-140.2	0	111	F49 E50	F49-K55 CarbonylContact O-C 3.57Å; F49-K55 VanDerWaalsContact O-CA 3.32Å; F49-K55 WeakPolarHBondContact O-CA 3.32Å; E50-K55 HydrophobicContact CB-CG 4.47Å; E50-K55 HydrophobicContact CG-CD 4.46Å; E50-K55 HydrophobicContact CG-CG 4.15Å; E50-K55 WeakPolarHBondContact OE1-CE 3.37Å; E50-K55 IonicContact OE1-NZ 2.67Å; E50-K55 PolarHBondContact OE1-NZ 2.77Å; E50-K55 WeakPolarHBondContact OE2-CE 3.43Å; E50-K55 IonicContact OE2-NZ 2.76Å; E50-K55 PolarHBondContact OE2-NZ 3.41Å
56	R	88.3	Confident	89	Confident	99 Å²	99	63.8 Å²	63.8	37%	0.374	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	153.7	176.5	-62.8	-168.3	-176.5	-164.7	10.5	110.5	K48 F49 E54 F77	K48-R56 CarbonylContact C-O 3.56Å; K48-R56 WeakPolarHBondContact CA-O 3.29Å; F49-R56 PolarHBondContact N-O 2.81Å; F49-R56 PolarHBondContact O-N 3.02Å; E54-R56 IonicContact OE1-CZ 3.02Å; E54-R56 IonicContact OE1-NE 3.67Å; E54-R56 PolarHBondContact OE1-NE 3.13Å; E54-R56 IonicContact OE1-NH2 2.71Å; E54-R56 PolarHBondContact OE1-NH2 3.23Å; E54-R56 IonicContact OE2-NH2 3.68Å; R56-F77 HydrophobicContact CG-CZ 4.29Å
57	I	91.6	Very high	89.1	Confident	104 Å²	104	63 Å²	63	53%	0.533	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.2	174.7	-44	-170.9	0	0	0	107.6	I47 K48	I47-I57 WeakPolarHBondContact O-CA 3.47Å; K48-I57 HydrophobicContact CD-CD1 4.46Å; K48-I57 HydrophobicContact CG-CD1 4.19Å; K48-I57 HydrophobicContact CG-CG1 4.04Å; K48-I57 HydrophobicContact CG-CG2 4.1Å
58	L	90.1	Very high	89	Confident	34 Å²	34	65.9 Å²	65.9	18%	0.178	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	159.3	175.7	-55.3	178.7	0	0	0	109.9	R46 I47 F49 F60 K72 I76	R46-L58 WeakPolarHBondContact CA-O 3.35Å; I47-L58 PolarHBondContact N-O 3.41Å; I47-L58 PolarHBondContact O-N 2.78Å; F49-L58 HydrophobicContact CD2-CB 4.39Å; F49-L58 HydrophobicContact CD2-CD1 3.86Å; F49-L58 HydrophobicContact CD2-CG 3.99Å; F49-L58 HydrophobicContact CE2-CB 4.04Å; F49-L58 HydrophobicContact CE2-CD1 3.7Å; F49-L58 HydrophobicContact CE2-CG 4.02Å; L58-F60 HydrophobicContact CB-CD2 4.42Å; L58-F60 HydrophobicContact CB-CE2 3.66Å; L58-F60 HydrophobicContact CB-CZ 4.26Å; L58-F60 HydrophobicContact CD1-CZ 4.38Å; L58-K72 HydrophobicContact CD1-CB 4.41Å; L58-I76 HydrophobicContact CD1-CD1 3.49Å; L58-I76 VanDerWaalsContact CD1-CD1 3.49Å; L58-I76 HydrophobicContact CD2-CD1 3.7Å; L58-I76 HydrophobicContact CG-CD1 4.24Å
59	V	90.3	Very high	88.9	Confident	75 Å²	75	61.9 Å²	61.9	46%	0.455	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133.7	-176.2	-173.6	0	0	0	0	107.7	D44 R46	D44-V59 HydrophobicContact CB-CG1 3.37Å; R46-V59 HydrophobicContact CG-CG2 4.29Å
60	F	91.6	Very high	88.8	Confident	1 Å²	1	65 Å²	65	0%	0.004	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.6	-178	-63.1	-102.5	0	0	0	109.6	V45 I47 F49 L58 V64 E68 I69 K72	V45-F60 PolarHBondContact N-O 3.18Å; V45-F60 PolarHBondContact O-N 2.82Å; I47-F60 HydrophobicContact CB-CD2 4.38Å; I47-F60 HydrophobicContact CB-CE2 4.1Å; I47-F60 HydrophobicContact CD1-CD2 3.75Å; I47-F60 HydrophobicContact CD1-CE2 3.8Å; I47-F60 HydrophobicContact CD1-CG 4.45Å; I47-F60 HydrophobicContact CG1-CD2 3.89Å; I47-F60 HydrophobicContact CG1-CE2 4.04Å; F49-F60 HydrophobicContact CE2-CE2 4.08Å; F49-F60 HydrophobicContact CE2-CZ 4.37Å; F49-F60 HydrophobicContact CZ-CE2 4.33Å; F49-F60 HydrophobicContact CZ-CZ 4.36Å; L58-F60 HydrophobicContact CB-CD2 4.42Å; L58-F60 HydrophobicContact CB-CE2 3.66Å; L58-F60 HydrophobicContact CB-CZ 4.26Å; L58-F60 HydrophobicContact CD1-CZ 4.38Å; F60-V64 HydrophobicContact CB-CB 4.3Å; F60-V64 HydrophobicContact CB-CG1 3.7Å; F60-V64 HydrophobicContact CB-CG2 3.72Å; F60-V64 HydrophobicContact CD1-CG1 3.75Å; F60-V64 HydrophobicContact CG-CG1 3.8Å; F60-E68 HydrophobicContact CD1-CG 4.38Å; F60-E68 HydrophobicContact CE1-CG 4.37Å; F60-I69 HydrophobicContact CD1-CG1 4.17Å; F60-I69 HydrophobicContact CE1-CB 4.29Å; F60-I69 HydrophobicContact CE1-CG1 3.54Å; F60-I69 HydrophobicContact CE2-CG1 4.36Å; F60-I69 HydrophobicContact CZ-CB 4.34Å; F60-I69 HydrophobicContact CZ-CG1 3.67Å; F60-K72 HydrophobicContact CD1-CD 4.18Å; F60-K72 HydrophobicContact CE1-CD 3.45Å; F60-K72 VanDerWaalsContact CE1-CD 3.45Å; F60-K72 HydrophobicContact CZ-CD 3.86Å
61	G	86.5	Confident	88.8	Confident	39 Å²	39	68.3 Å²	68.3	40%	0.402	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-69.6	159.1	170	0	0	0	0	0	110.9	P63 V64	G61-P63 CarbonylContact O-C 3.43Å; G61-V64 WeakPolarHBondContact O-CG2 3.32Å; G61-V64 PolarHBondContact O-N 3.41Å
62	R	84.7	Confident	88.7	Confident	72 Å²	72	69.8 Å²	69.8	27%	0.272	37%	0.371	S	S	.	.	S	Bend	trans	-93.4	137.8	176	-66.9	178.6	-179.2	-106.6	3.7	111.1	Q42 D43 V45 D108	Q42-R62 HydrophobicContact CG-CB 4.37Å; Q42-R62 PolarHBondContact NE2-O 3.12Å; D43-R62 PolarHBondContact O-NE 3.07Å; V45-R62 HydrophobicContact CG2-CG 3.87Å; R62-D108 IonicContact CZ-OD1 3.44Å; R62-D108 IonicContact CZ-OD2 2.69Å; R62-D108 IonicContact NH1-OD1 2.69Å; R62-D108 IonicContact NH1-OD2 3.2Å; R62-D108 PolarHBondContact NH1-OD2 2.84Å; R62-D108 IonicContact NH2-OD1 3.35Å; R62-D108 PolarHBondContact NH2-OD1 3.08Å; R62-D108 IonicContact NH2-OD2 3.4Å; R62-D108 PolarHBondContact NH2-OD2 3.44Å
63	P	86.4	Confident	89.1	Confident	103 Å²	103	64.7 Å²	64.7	67%	0.669	34%	0.335	S	S	*	.	S	Bend	cis	-80.9	133.9	0.2	32.3	-34.3	0	0	0	112.8	G61 Q65	G61-P63 CarbonylContact O-C 3.43Å; P63-Q65 PolarHBondContact O-N 2.78Å; P63-Q65 PolarHBondContact O-NE2 3.38Å
64	V	89.9	Confident	89.8	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.012	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-76.1	123.7	-179.5	-171.3	0	0	0	0	109.8	V45 I47 F60 G61 I69 Q97 L100 I104	V45-V64 HydrophobicContact CB-CG2 3.71Å; V45-V64 HydrophobicContact CG1-CG2 4.28Å; V45-V64 HydrophobicContact CG2-CG2 3.6Å; I47-V64 HydrophobicContact CD1-CG1 4.42Å; F60-V64 HydrophobicContact CB-CB 4.3Å; F60-V64 HydrophobicContact CB-CG1 3.7Å; F60-V64 HydrophobicContact CB-CG2 3.72Å; F60-V64 HydrophobicContact CD1-CG1 3.75Å; F60-V64 HydrophobicContact CG-CG1 3.8Å; G61-V64 WeakPolarHBondContact O-CG2 3.32Å; G61-V64 PolarHBondContact O-N 3.41Å; V64-I69 HydrophobicContact CG1-CD1 3.87Å; V64-I69 HydrophobicContact CG1-CG1 3.98Å; V64-Q97 PolarHBondContact O-NE2 2.64Å; V64-L100 HydrophobicContact CB-CD2 4.47Å; V64-L100 HydrophobicContact CG1-CD2 4.21Å; V64-I104 HydrophobicContact CB-CD1 3.93Å; V64-I104 HydrophobicContact CG2-CD1 4.02Å
65	Q	93.1	Very high	90.2	Very high	81 Å²	81	67.5 Å²	67.5	38%	0.379	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-91.3	141.4	177.2	-52.1	-53.7	-74.7	0	0	111.3	P63 E67 E68 I69	P63-Q65 PolarHBondContact O-N 2.78Å; P63-Q65 PolarHBondContact O-NE2 3.38Å; Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 PolarHBondContact O-N 3.06Å; Q65-E68 HydrophobicContact CB-CB 4.05Å; Q65-E68 WeakPolarHBondContact O-CB 3.31Å; Q65-E68 PolarHBondContact O-N 2.96Å; Q65-I69 PolarHBondContact O-N 3.34Å; Q65-I69 VanDerWaalsContact O-N 3.15Å
66	F	92.8	Very high	90	Very high	10 Å²	10	63.5 Å²	63.5	4%	0.044	33%	0.325	C	S	.	.	H	α-helix	trans	-64.8	-37.9	178.5	-179.6	-107.1	0	0	0	112	I69 Q70 L83 L94 L100	F66-I69 WeakPolarHBondContact O-CB 3.35Å; F66-I69 PolarHBondContact O-N 3.14Å; F66-Q70 HydrophobicContact CE1-CG 4.37Å; F66-Q70 VanDerWaalsContact CZ-NE2 3.31Å; F66-Q70 PolarHBondContact O-N 3.43Å; F66-L83 HydrophobicContact CD2-CD1 4.09Å; F66-L83 HydrophobicContact CE2-CD1 3.47Å; F66-L83 VanDerWaalsContact CE2-CD1 3.47Å; F66-L83 HydrophobicContact CZ-CD1 3.92Å; F66-L94 HydrophobicContact CE2-CB 3.87Å; F66-L94 WeakPolarHBondContact CZ-O 3.47Å; F66-L100 HydrophobicContact CB-CD2 4.04Å; F66-L100 HydrophobicContact CD2-CB 4.37Å
67	E	92.1	Very high	89.7	Confident	108 Å²	108	60.2 Å²	60.2	51%	0.505	31%	0.314	S	S	.	.	H	α-helix	trans	-63.1	-42.1	174.3	-65.8	64.6	-142.8	0	0	110.8	Q65 I69 Q70 E71	Q65-E67 VanDerWaalsContact C-N 3.33Å; Q65-E67 PolarHBondContact O-N 3.06Å; E67-I69 VanDerWaalsContact C-N 3.3Å; E67-I69 PolarHBondContact O-N 3.48Å; E67-Q70 PolarHBondContact O-N 2.93Å; E67-Q70 VanDerWaalsContact O-N 3.12Å; E67-E71 WeakPolarHBondContact O-CG 3.35Å; E67-E71 PolarHBondContact O-N 3.47Å
68	E	92.7	Very high	89.3	Confident	61 Å²	61	58.7 Å²	58.7	29%	0.285	32%	0.324	S	S	.	.	H	α-helix	trans	-62.7	-37.3	176.5	-166.5	-154.8	161	0	0	111.6	F60 Q65 K72	F60-E68 HydrophobicContact CD1-CG 4.38Å; F60-E68 HydrophobicContact CE1-CG 4.37Å; Q65-E68 HydrophobicContact CB-CB 4.05Å; Q65-E68 WeakPolarHBondContact O-CB 3.31Å; Q65-E68 PolarHBondContact O-N 2.96Å; E68-K72 HydrophobicContact CG-CD 4.28Å; E68-K72 VanDerWaalsContact O-CB 3.31Å; E68-K72 WeakPolarHBondContact O-CB 3.46Å; E68-K72 WeakPolarHBondContact O-CG 3.44Å; E68-K72 PolarHBondContact O-N 3.19Å; E68-K72 WeakPolarHBondContact OE1-CE 3.28Å; E68-K72 IonicContact OE1-NZ 3.94Å; E68-K72 PolarHBondContact OE1-NZ 2.91Å
69	I	92.4	Very high	89	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-63.4	-49.5	171.1	-67.6	176.4	0	0	0	110.3	I47 F49 F60 V64 Q65 F66 E67 E71 K72 V73 L83 L100	I47-I69 HydrophobicContact CD1-CD1 3.51Å; I47-I69 HydrophobicContact CD1-CG1 4.16Å; F49-I69 HydrophobicContact CE1-CG2 3.87Å; F49-I69 HydrophobicContact CZ-CG2 3.76Å; F60-I69 HydrophobicContact CD1-CG1 4.17Å; F60-I69 HydrophobicContact CE1-CB 4.29Å; F60-I69 HydrophobicContact CE1-CG1 3.54Å; F60-I69 HydrophobicContact CE2-CG1 4.36Å; F60-I69 HydrophobicContact CZ-CB 4.34Å; F60-I69 HydrophobicContact CZ-CG1 3.67Å; V64-I69 HydrophobicContact CG1-CD1 3.87Å; V64-I69 HydrophobicContact CG1-CG1 3.98Å; Q65-I69 PolarHBondContact O-N 3.34Å; Q65-I69 VanDerWaalsContact O-N 3.15Å; F66-I69 WeakPolarHBondContact O-CB 3.35Å; F66-I69 PolarHBondContact O-N 3.14Å; E67-I69 VanDerWaalsContact C-N 3.3Å; E67-I69 PolarHBondContact O-N 3.48Å; I69-E71 PolarHBondContact O-N 2.85Å; I69-K72 PolarHBondContact O-N 2.97Å; I69-V73 HydrophobicContact CG2-CG2 4.26Å; I69-V73 WeakPolarHBondContact O-CB 3.39Å; I69-V73 VanDerWaalsContact O-CG2 3.27Å; I69-V73 WeakPolarHBondContact O-CG2 3.38Å; I69-V73 PolarHBondContact O-N 3.12Å; I69-L83 HydrophobicContact CG2-CD1 3.89Å; I69-L83 HydrophobicContact CG2-CD2 3.68Å; I69-L83 HydrophobicContact CG2-CG 4.49Å; I69-L100 HydrophobicContact CD1-CD1 3.49Å; I69-L100 VanDerWaalsContact CD1-CD1 3.49Å; I69-L100 HydrophobicContact CD1-CD2 3.56Å; I69-L100 HydrophobicContact CD1-CG 4.18Å
70	Q	91.4	Very high	88.8	Confident	67 Å²	67	62.1 Å²	62.1	31%	0.313	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-43.4	-179.1	-73.2	-166.4	-3.6	0	0	112.4	F66 E67 V73 K74 L83	F66-Q70 HydrophobicContact CE1-CG 4.37Å; F66-Q70 VanDerWaalsContact CZ-NE2 3.31Å; F66-Q70 PolarHBondContact O-N 3.43Å; E67-Q70 PolarHBondContact O-N 2.93Å; E67-Q70 VanDerWaalsContact O-N 3.12Å; Q70-V73 PolarHBondContact O-N 3.41Å; Q70-K74 WeakPolarHBondContact O-CB 3.18Å; Q70-K74 PolarHBondContact O-N 3.5Å; Q70-L83 HydrophobicContact CG-CD1 3.72Å
71	E	90.9	Very high	88.7	Confident	142 Å²	142	62.6 Å²	62.6	66%	0.664	34%	0.336	S	S	*	.	H	α-helix	trans	-65.2	-45.8	177.3	-73.2	-166.1	158.7	0	0	112.1	E67 I69 K74 S75	E67-E71 WeakPolarHBondContact O-CG 3.35Å; E67-E71 PolarHBondContact O-N 3.47Å; I69-E71 PolarHBondContact O-N 2.85Å; E71-K74 PolarHBondContact O-N 3.29Å; E71-S75 VanDerWaalsContact O-CB 3.27Å; E71-S75 WeakPolarHBondContact O-CB 3.46Å; E71-S75 PolarHBondContact O-N 2.88Å
72	K	89.9	Confident	89	Confident	72 Å²	72	64.7 Å²	64.7	31%	0.313	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-44.6	175.4	-80.3	170.6	168.5	175.7	0	111.3	L58 F60 E68 I69 S75 I76	L58-K72 HydrophobicContact CD1-CB 4.41Å; F60-K72 HydrophobicContact CD1-CD 4.18Å; F60-K72 HydrophobicContact CE1-CD 3.45Å; F60-K72 VanDerWaalsContact CE1-CD 3.45Å; F60-K72 HydrophobicContact CZ-CD 3.86Å; E68-K72 HydrophobicContact CG-CD 4.28Å; E68-K72 VanDerWaalsContact O-CB 3.31Å; E68-K72 WeakPolarHBondContact O-CB 3.46Å; E68-K72 WeakPolarHBondContact O-CG 3.44Å; E68-K72 PolarHBondContact O-N 3.19Å; E68-K72 WeakPolarHBondContact OE1-CE 3.28Å; E68-K72 IonicContact OE1-NZ 3.94Å; E68-K72 PolarHBondContact OE1-NZ 2.91Å; I69-K72 PolarHBondContact O-N 2.97Å; K72-S75 PolarHBondContact O-N 2.93Å; K72-I76 WeakPolarHBondContact O-CB 3.45Å; K72-I76 WeakPolarHBondContact O-CD1 3.34Å; K72-I76 WeakPolarHBondContact O-CG1 3.28Å; K72-I76 PolarHBondContact O-N 3.42Å
73	V	90.3	Very high	89.4	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.012	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-48.3	175.3	164.9	0	0	0	0	111	F49 I69 Q70 S75 I76 F77 L81 L83 L120	F49-V73 HydrophobicContact CD1-CG2 3.84Å; F49-V73 HydrophobicContact CE1-CG2 3.61Å; F49-V73 HydrophobicContact CG-CG2 4.47Å; F49-V73 HydrophobicContact CZ-CG2 4.09Å; I69-V73 HydrophobicContact CG2-CG2 4.26Å; I69-V73 WeakPolarHBondContact O-CB 3.39Å; I69-V73 VanDerWaalsContact O-CG2 3.27Å; I69-V73 WeakPolarHBondContact O-CG2 3.38Å; I69-V73 PolarHBondContact O-N 3.12Å; Q70-V73 PolarHBondContact O-N 3.41Å; V73-S75 PolarHBondContact O-N 3.18Å; V73-I76 PolarHBondContact O-N 2.67Å; V73-F77 HydrophobicContact CG1-CD2 4.06Å; V73-F77 WeakPolarHBondContact O-CD2 3.48Å; V73-F77 PolarHBondContact O-N 2.91Å; V73-L81 HydrophobicContact CG1-CB 4.09Å; V73-L81 HydrophobicContact CG1-CD1 4.12Å; V73-L83 HydrophobicContact CG2-CD2 4.32Å; V73-L120 HydrophobicContact CG1-CD1 3.92Å; V73-L120 HydrophobicContact CG1-CD2 3.84Å; V73-L120 HydrophobicContact CG2-CD1 4.37Å; V73-L120 HydrophobicContact CG2-CD2 4.24Å
74	K	89.6	Confident	89.8	Confident	114 Å²	114	57.7 Å²	57.7	50%	0.496	30%	0.297	S	S	.	.	H	α-helix	trans	-62.7	-39.7	178.3	-177.8	176	174	179.3	0	112.7	Q70 E71 I76 G78	Q70-K74 WeakPolarHBondContact O-CB 3.18Å; Q70-K74 PolarHBondContact O-N 3.5Å; E71-K74 PolarHBondContact O-N 3.29Å; K74-I76 VanDerWaalsContact C-N 3.33Å; K74-G78 VanDerWaalsContact O-CA 3.3Å; K74-G78 WeakPolarHBondContact O-CA 3.37Å; K74-G78 PolarHBondContact O-N 3.25Å
75	S	89.1	Confident	89.9	Confident	93 Å²	93	57.9 Å²	57.9	65%	0.65	30%	0.298	S	S	*	.	H	α-helix	trans	-66.5	-33.4	175.1	-173.2	0	0	0	0	112.8	E71 K72 V73	E71-S75 VanDerWaalsContact O-CB 3.27Å; E71-S75 WeakPolarHBondContact O-CB 3.46Å; E71-S75 PolarHBondContact O-N 2.88Å; K72-S75 PolarHBondContact O-N 2.93Å; V73-S75 PolarHBondContact O-N 3.18Å
76	I	85.4	Confident	89.8	Confident	53 Å²	53	55.9 Å²	55.9	27%	0.272	29%	0.289	S	S	.	.	H	α-helix	trans	-87.7	-38.9	-173.8	-74.7	169.4	0	0	0	112.9	L58 K72 V73 K74	L58-I76 HydrophobicContact CD1-CD1 3.49Å; L58-I76 VanDerWaalsContact CD1-CD1 3.49Å; L58-I76 HydrophobicContact CD2-CD1 3.7Å; L58-I76 HydrophobicContact CG-CD1 4.24Å; K72-I76 WeakPolarHBondContact O-CB 3.45Å; K72-I76 WeakPolarHBondContact O-CD1 3.34Å; K72-I76 WeakPolarHBondContact O-CG1 3.28Å; K72-I76 PolarHBondContact O-N 3.42Å; V73-I76 PolarHBondContact O-N 2.67Å; K74-I76 VanDerWaalsContact C-N 3.33Å
77	F	82.6	Confident	89.2	Confident	31 Å²	31	58.2 Å²	58.2	14%	0.136	30%	0.302	C	S	.	.	H	α-helix	trans	-104.1	-2.3	-177.6	-64.8	-79.4	0	0	0	113.4	F49 Y51 R56 V73 Q79 L81 L120	F49-F77 HydrophobicContact CB-CE2 4.44Å; Y51-F77 AromaticContact CD1-CD1 3.8Å; Y51-F77 HydrophobicContact CD1-CD1 3.8Å; Y51-F77 HydrophobicContact CD1-CE1 4.23Å; Y51-F77 HydrophobicContact CG-CD1 4.36Å; Y51-F77 HydrophobicContact CG-CE1 4.48Å; R56-F77 HydrophobicContact CG-CZ 4.29Å; V73-F77 HydrophobicContact CG1-CD2 4.06Å; V73-F77 WeakPolarHBondContact O-CD2 3.48Å; V73-F77 PolarHBondContact O-N 2.91Å; F77-Q79 PolarHBondContact O-N 3.34Å; F77-Q79 VanDerWaalsContact O-N 3.12Å; F77-L81 HydrophobicContact CB-CD1 3.71Å; F77-L81 HydrophobicContact CD2-CD1 4.24Å; F77-L81 HydrophobicContact CG-CD1 3.98Å; F77-L120 HydrophobicContact CD2-CD1 3.74Å; F77-L120 HydrophobicContact CE2-CD1 3.39Å; F77-L120 HydrophobicContact CZ-CD1 3.92Å
78	G	83	Confident	88.5	Confident	71 Å²	71	60.2 Å²	60.2	73%	0.732	32%	0.316	S	S	*	.	S	Bend	trans	75.5	-9.1	174.2	0	0	0	0	0	115.8	K74	K74-G78 VanDerWaalsContact O-CA 3.3Å; K74-G78 WeakPolarHBondContact O-CA 3.37Å; K74-G78 PolarHBondContact O-N 3.25Å
79	Q	85.1	Confident	87.6	Confident	74 Å²	74	66.5 Å²	66.5	35%	0.346	35%	0.345	S	S	.	.	S	Bend	trans	-135.1	159.8	179.1	59.3	171.4	106.7	0	0	111.2	Y51 F77 L81 S122	Y51-Q79 PolarHBondContact OH-OE1 2.91Å; F77-Q79 PolarHBondContact O-N 3.34Å; F77-Q79 VanDerWaalsContact O-N 3.12Å; Q79-L81 HydrophobicContact CG-CD1 4.41Å; Q79-L81 HydrophobicContact CG-CD2 3.89Å; Q79-L81 HydrophobicContact CG-CG 4.03Å; Q79-L81 VanDerWaalsContact NE2-CD2 3.33Å; Q79-S122 PolarHBondContact NE2-OG 3.43Å; Q79-S122 VanDerWaalsContact NE2-OG 3.12Å
80	Q	85.3	Confident	86.9	Confident	108 Å²	108	72.2 Å²	72.2	51%	0.505	37%	0.373	S	S	.	.			trans	-74.3	138.1	169.3	-168.9	162	-8.2	0	0	109.3
81	L	90.1	Very high	86.7	Confident	10 Å²	10	72.4 Å²	72.4	5%	0.052	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143.8	-173.3	-66.1	171.7	0	0	0	109.3	Y51 V73 F77 Q79 L120 L121	Y51-L81 HydrophobicContact CD1-CD1 4.28Å; Y51-L81 HydrophobicContact CD2-CD1 4.02Å; Y51-L81 HydrophobicContact CD2-CD2 4.15Å; Y51-L81 HydrophobicContact CE1-CD1 4.32Å; Y51-L81 HydrophobicContact CE2-CD1 4.08Å; Y51-L81 HydrophobicContact CE2-CD2 3.49Å; Y51-L81 VanDerWaalsContact CE2-CD2 3.49Å; Y51-L81 HydrophobicContact CE2-CG 4.46Å; Y51-L81 HydrophobicContact CG-CD1 4.12Å; V73-L81 HydrophobicContact CG1-CB 4.09Å; V73-L81 HydrophobicContact CG1-CD1 4.12Å; F77-L81 HydrophobicContact CB-CD1 3.71Å; F77-L81 HydrophobicContact CD2-CD1 4.24Å; F77-L81 HydrophobicContact CG-CD1 3.98Å; Q79-L81 HydrophobicContact CG-CD1 4.41Å; Q79-L81 HydrophobicContact CG-CD2 3.89Å; Q79-L81 HydrophobicContact CG-CG 4.03Å; Q79-L81 VanDerWaalsContact NE2-CD2 3.33Å; L81-L120 HydrophobicContact CB-CB 4.19Å; L81-L120 HydrophobicContact CB-CD2 4.12Å; L81-L120 HydrophobicContact CD1-CB 4.02Å; L81-L120 HydrophobicContact CD1-CD1 3.95Å; L81-L120 HydrophobicContact CD1-CG 4.44Å; L81-L121 CarbonylContact C-O 3.52Å; L81-L121 WeakPolarHBondContact CA-O 3.35Å; L81-L121 WeakPolarHBondContact CD2-O 3.17Å
82	E	92.2	Very high	86.6	Confident	83 Å²	83	69.1 Å²	69.1	39%	0.388	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	137.7	177.3	-61.7	-168.2	175.6	0	0	110.6	L120 L121 Q123	E82-L120 WeakPolarHBondContact O-CA 3.46Å; E82-L121 PolarHBondContact N-O 2.86Å; E82-L121 PolarHBondContact O-N 3.32Å; E82-L121 VanDerWaalsContact O-N 3.08Å; E82-Q123 HydrophobicContact CG-CB 4.5Å; E82-Q123 PolarHBondContact OE1-NE2 3.05Å
83	L	94.1	Very high	86.7	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.026	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	112.4	-171.6	-67.4	163	0	0	0	110.1	F49 F66 I69 Q70 V73 L94 I118 L120	F49-L83 HydrophobicContact CE1-CD2 3.94Å; F66-L83 HydrophobicContact CD2-CD1 4.09Å; F66-L83 HydrophobicContact CE2-CD1 3.47Å; F66-L83 VanDerWaalsContact CE2-CD1 3.47Å; F66-L83 HydrophobicContact CZ-CD1 3.92Å; I69-L83 HydrophobicContact CG2-CD1 3.89Å; I69-L83 HydrophobicContact CG2-CD2 3.68Å; I69-L83 HydrophobicContact CG2-CG 4.49Å; Q70-L83 HydrophobicContact CG-CD1 3.72Å; V73-L83 HydrophobicContact CG2-CD2 4.32Å; L83-L94 HydrophobicContact CB-CB 4.16Å; L83-L94 HydrophobicContact CB-CD1 4.38Å; L83-L94 PolarHBondContact O-N 2.93Å; L83-I118 HydrophobicContact CB-CG2 4.1Å; L83-I118 HydrophobicContact CD2-CD1 4.47Å; L83-I118 HydrophobicContact CD2-CG2 3.78Å; L83-L120 HydrophobicContact CD2-CD2 3.6Å; L83-L120 HydrophobicContact CG-CD2 4.48Å
84	H	93.3	Very high	86.8	Confident	24 Å²	24	68.7 Å²	68.7	11%	0.111	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	108.3	177.8	-73.3	-113.6	0	0	0	111.6	M86 I92 I118 M119	H84-M86 PolarHBondContact O-N 2.91Å; H84-I92 CarbonylContact C-O 3.55Å; H84-I92 WeakPolarHBondContact CA-O 3.4Å; H84-I118 CarbonylContact O-C 3.58Å; H84-I118 VanDerWaalsContact O-CA 3.28Å; H84-I118 WeakPolarHBondContact O-CA 3.39Å; H84-M119 HydrophobicContact CB-CB 4.36Å; H84-M119 PolarHBondContact N-O 3.28Å; H84-M119 PolarHBondContact O-N 3.31Å
85	Y	92.9	Very high	86.7	Confident	6 Å²	6	73.2 Å²	73.2	2%	0.024	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	132	171.8	172.2	-123.9	0	0	0	111	N87 I92 A103 L106 I116 R117	Y85-N87 HydrophobicContact CE1-CB 3.95Å; Y85-I92 HydrophobicContact CD1-CD1 4.36Å; Y85-I92 PolarHBondContact N-O 3.13Å; Y85-I92 PolarHBondContact O-N 3.04Å; Y85-A103 HydrophobicContact CD1-CB 4.25Å; Y85-A103 HydrophobicContact CD2-CB 4.16Å; Y85-A103 HydrophobicContact CE1-CB 4.43Å; Y85-A103 HydrophobicContact CE2-CB 4.37Å; Y85-A103 HydrophobicContact CG-CB 4.11Å; Y85-L106 HydrophobicContact CE1-CD1 4.09Å; Y85-I116 HydrophobicContact CD2-CG2 3.71Å; Y85-I116 HydrophobicContact CE2-CG2 3.92Å; Y85-R117 WeakPolarHBondContact CA-O 3.44Å; Y85-R117 VanDerWaalsContact CD2-O 3.28Å; Y85-R117 WeakPolarHBondContact CD2-O 3.44Å
86	M	90.1	Very high	86.8	Confident	39 Å²	39	69.8 Å²	69.8	19%	0.192	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	110	-177.1	-72.2	-57.9	-57.9	0	0	111.7	H84 S91 R117 M119	H84-M86 PolarHBondContact O-N 2.91Å; M86-S91 WeakPolarHBondContact SD-CB 3.42Å; M86-R117 HydrophobicContact CB-CB 3.97Å; M86-R117 PolarHBondContact N-O 3.27Å; M86-M119 HydrophobicContact CE-CE 4.05Å; M86-M119 HydrophobicContact CG-CB 3.95Å; M86-M119 HydrophobicContact CG-CE 4.25Å; M86-M119 HydrophobicContact SD-CB 4.3Å; M86-M119 HydrophobicContact SD-CE 3.56Å; M86-M119 VanDerWaalsContact SD-CE 3.56Å
87	N	81.4	Confident	87.1	Confident	58 Å²	58	69.2 Å²	69.2	31%	0.31	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	107.7	172.6	-170.7	8.3	0	0	0	110.1	Y85 E89 M90	Y85-N87 HydrophobicContact CE1-CB 3.95Å; N87-E89 PolarHBondContact O-N 3.25Å; N87-E89 VanDerWaalsContact O-N 3.09Å; N87-M90 PolarHBondContact N-O 2.9Å; N87-M90 PolarHBondContact O-N 3.43Å
88	N	77.4	Confident	87.5	Confident	150 Å²	150	73.2 Å²	73.2	80%	0.802	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	-108.5	-168.8	-62.3	-28.2	0	0	0	112
89	E	73.8	Confident	87.9	Confident	193 Å²	193	71.9 Å²	71.9	90%	0.902	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-4.8	-179.6	-60.5	-174.2	157.4	0	0	113.2	N87	N87-E89 PolarHBondContact O-N 3.25Å; N87-E89 VanDerWaalsContact O-N 3.09Å
90	M	77.4	Confident	88.2	Confident	121 Å²	121	68.3 Å²	68.3	60%	0.596	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.7	179.6	-58.7	-158.9	-54.1	0	0	112	N87	N87-M90 PolarHBondContact N-O 2.9Å; N87-M90 PolarHBondContact O-N 3.43Å
91	S	87.4	Confident	88.5	Confident	71 Å²	71	66.7 Å²	66.7	50%	0.497	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124	169.4	54.2	0	0	0	0	110.4	M86	M86-S91 WeakPolarHBondContact SD-CB 3.42Å
92	I	89.2	Confident	88.5	Confident	73 Å²	73	71.5 Å²	71.5	37%	0.374	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115.4	-178.5	-58.3	175.7	0	0	0	108.2	H84 Y85 L94	H84-I92 CarbonylContact C-O 3.55Å; H84-I92 WeakPolarHBondContact CA-O 3.4Å; Y85-I92 HydrophobicContact CD1-CD1 4.36Å; Y85-I92 PolarHBondContact N-O 3.13Å; Y85-I92 PolarHBondContact O-N 3.04Å; I92-L94 PolarHBondContact O-N 3.1Å
93	P	90.3	Very high	88.3	Confident	53 Å²	53	67.6 Å²	67.6	34%	0.344	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	128.5	177.1	27.3	-33	0	0	0	110.3
94	L	92.8	Very high	88.2	Confident	12 Å²	12	68 Å²	68	6%	0.063	34%	0.344	C	S	.	.			trans	-88.5	112.3	172.3	-57.9	179.5	0	0	0	108.1	F66 L83 I92 D99 I118	F66-L94 HydrophobicContact CE2-CB 3.87Å; F66-L94 WeakPolarHBondContact CZ-O 3.47Å; L83-L94 HydrophobicContact CB-CB 4.16Å; L83-L94 HydrophobicContact CB-CD1 4.38Å; L83-L94 PolarHBondContact O-N 2.93Å; I92-L94 PolarHBondContact O-N 3.1Å; L94-D99 HydrophobicContact CB-CB 4.31Å; L94-D99 HydrophobicContact CD2-CB 3.71Å; L94-D99 WeakPolarHBondContact CD2-O 3.48Å; L94-I118 HydrophobicContact CD1-CD1 3.77Å; L94-I118 HydrophobicContact CD1-CG1 4.34Å
95	R	88.2	Confident	87.9	Confident	210 Å²	210	70.1 Å²	70.1	79%	0.792	36%	0.355	S	S	*	.			trans	-99.9	-11.8	-173.9	-66.9	-176	170.2	-171.8	-3.4	114.3	D99	R95-D99 PolarHBondContact N-OD2 3.18Å
96	G	90.9	Very high	87.6	Confident	21 Å²	21	73.8 Å²	73.8	22%	0.216	38%	0.375	C	S	.	.	S	Bend	trans	-177.2	-173.3	178.1	0	0	0	0	0	111.8	D98 D99 L100	G96-D98 VanDerWaalsContact C-N 3.34Å; G96-D98 PolarHBondContact O-N 2.81Å; G96-D99 PolarHBondContact O-N 3.02Å; G96-D99 VanDerWaalsContact O-N 3.14Å; G96-L100 PolarHBondContact O-N 2.94Å
97	Q	92.9	Very high	87.4	Confident	41 Å²	41	72.6 Å²	72.6	19%	0.192	37%	0.37	C	S	.	.	H	α-helix	trans	-53.2	-45.4	-177.5	-172.2	63	32.6	0	0	113.1	V64 D99 L100 D101	V64-Q97 PolarHBondContact O-NE2 2.64Å; Q97-D99 PolarHBondContact O-N 2.98Å; Q97-D99 VanDerWaalsContact O-N 3.11Å; Q97-L100 WeakPolarHBondContact O-CA 3.5Å; Q97-L100 WeakPolarHBondContact O-CB 3.22Å; Q97-L100 PolarHBondContact O-N 2.85Å; Q97-D101 WeakPolarHBondContact CG-OD2 3.48Å; Q97-D101 PolarHBondContact NE2-OD1 3.4Å; Q97-D101 PolarHBondContact NE2-OD2 2.95Å; Q97-D101 PolarHBondContact O-N 3.22Å
98	D	89.7	Confident	87.6	Confident	115 Å²	115	73.9 Å²	73.9	62%	0.615	38%	0.376	S	S	*	.	H	α-helix	trans	-52.1	-38.4	179.3	-65.7	7.6	0	0	0	113.4	G96 K102	G96-D98 VanDerWaalsContact C-N 3.34Å; G96-D98 PolarHBondContact O-N 2.81Å; D98-K102 VanDerWaalsContact O-CD 3.25Å; D98-K102 WeakPolarHBondContact O-CD 3.18Å; D98-K102 WeakPolarHBondContact O-CE 3.28Å; D98-K102 WeakPolarHBondContact O-CG 3.31Å; D98-K102 PolarHBondContact O-N 3.36Å; D98-K102 VanDerWaalsContact O-N 3.16Å
99	D	91.3	Very high	88	Confident	42 Å²	42	76 Å²	76	23%	0.225	37%	0.373	C	S	.	.	H	α-helix	trans	-77.6	-33.5	-179	-62.3	-30.5	0	0	0	111.9	L94 R95 G96 Q97 K102 A103	L94-D99 HydrophobicContact CB-CB 4.31Å; L94-D99 HydrophobicContact CD2-CB 3.71Å; L94-D99 WeakPolarHBondContact CD2-O 3.48Å; R95-D99 PolarHBondContact N-OD2 3.18Å; G96-D99 PolarHBondContact O-N 3.02Å; G96-D99 VanDerWaalsContact O-N 3.14Å; Q97-D99 PolarHBondContact O-N 2.98Å; Q97-D99 VanDerWaalsContact O-N 3.11Å; D99-K102 IonicContact OD1-NZ 2.75Å; D99-K102 PolarHBondContact OD1-NZ 3.19Å; D99-A103 PolarHBondContact O-N 3.45Å; D99-A103 VanDerWaalsContact O-N 3.14Å
100	L	91.6	Very high	88.4	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-66	-44.9	172.4	175.3	62.9	0	0	0	111	V64 F66 I69 G96 Q97 K102 A103 I104	V64-L100 HydrophobicContact CB-CD2 4.47Å; V64-L100 HydrophobicContact CG1-CD2 4.21Å; F66-L100 HydrophobicContact CB-CD2 4.04Å; F66-L100 HydrophobicContact CD2-CB 4.37Å; I69-L100 HydrophobicContact CD1-CD1 3.49Å; I69-L100 VanDerWaalsContact CD1-CD1 3.49Å; I69-L100 HydrophobicContact CD1-CD2 3.56Å; I69-L100 HydrophobicContact CD1-CG 4.18Å; G96-L100 PolarHBondContact O-N 2.94Å; Q97-L100 WeakPolarHBondContact O-CA 3.5Å; Q97-L100 WeakPolarHBondContact O-CB 3.22Å; Q97-L100 PolarHBondContact O-N 2.85Å; L100-K102 PolarHBondContact O-N 2.85Å; L100-A103 CarbonylContact O-C 3.6Å; L100-A103 WeakPolarHBondContact O-CA 3.48Å; L100-A103 WeakPolarHBondContact O-CB 3.27Å; L100-A103 PolarHBondContact O-N 2.8Å; L100-I104 HydrophobicContact CD1-CD1 4.06Å; L100-I104 HydrophobicContact CD1-CG1 4.36Å; L100-I104 HydrophobicContact CG-CD1 3.88Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-I104 PolarHBondContact O-N 3.06Å
101	D	91.4	Very high	88.3	Confident	73 Å²	73	68.7 Å²	68.7	39%	0.39	36%	0.355	S	S	.	.	H	α-helix	trans	-64.4	-39.3	179.2	-73	-21.5	0	0	0	111.5	Q97 A103 I104 D105	Q97-D101 WeakPolarHBondContact CG-OD2 3.48Å; Q97-D101 PolarHBondContact NE2-OD1 3.4Å; Q97-D101 PolarHBondContact NE2-OD2 2.95Å; Q97-D101 PolarHBondContact O-N 3.22Å; D101-A103 VanDerWaalsContact C-N 3.3Å; D101-A103 PolarHBondContact O-N 3.03Å; D101-I104 PolarHBondContact O-N 3.44Å; D101-D105 WeakPolarHBondContact O-CB 3.4Å; D101-D105 PolarHBondContact O-N 3.33Å
102	K	89.8	Confident	87.9	Confident	111 Å²	111	69.9 Å²	69.9	48%	0.483	36%	0.364	S	S	.	.	H	α-helix	trans	-58.2	-40.2	169.2	-68.4	159.6	-146.8	153.7	0	111.8	D98 D99 L100 L106	D98-K102 VanDerWaalsContact O-CD 3.25Å; D98-K102 WeakPolarHBondContact O-CD 3.18Å; D98-K102 WeakPolarHBondContact O-CE 3.28Å; D98-K102 WeakPolarHBondContact O-CG 3.31Å; D98-K102 PolarHBondContact O-N 3.36Å; D98-K102 VanDerWaalsContact O-N 3.16Å; D99-K102 IonicContact OD1-NZ 2.75Å; D99-K102 PolarHBondContact OD1-NZ 3.19Å; L100-K102 PolarHBondContact O-N 2.85Å; K102-L106 WeakPolarHBondContact O-CB 3.38Å; K102-L106 VanDerWaalsContact O-CG 3.28Å; K102-L106 WeakPolarHBondContact O-CG 3.49Å; K102-L106 PolarHBondContact O-N 3.05Å; K102-L106 VanDerWaalsContact O-N 3.08Å
103	A	89.4	Confident	87.4	Confident	2 Å²	2	69.4 Å²	69.4	2%	0.017	36%	0.361	C	S	.	.	H	α-helix	trans	-71.9	-28	177.8	0	0	0	0	0	113.3	Y85 D99 L100 D101 L107	Y85-A103 HydrophobicContact CD1-CB 4.25Å; Y85-A103 HydrophobicContact CD2-CB 4.16Å; Y85-A103 HydrophobicContact CE1-CB 4.43Å; Y85-A103 HydrophobicContact CE2-CB 4.37Å; Y85-A103 HydrophobicContact CG-CB 4.11Å; D99-A103 PolarHBondContact O-N 3.45Å; D99-A103 VanDerWaalsContact O-N 3.14Å; L100-A103 CarbonylContact O-C 3.6Å; L100-A103 WeakPolarHBondContact O-CA 3.48Å; L100-A103 WeakPolarHBondContact O-CB 3.27Å; L100-A103 PolarHBondContact O-N 2.8Å; D101-A103 VanDerWaalsContact C-N 3.3Å; D101-A103 PolarHBondContact O-N 3.03Å; A103-L107 PolarHBondContact O-N 3.41Å
104	I	90.2	Very high	87.2	Confident	14 Å²	14	74.3 Å²	74.3	7%	0.072	38%	0.376	C	S	.	.	H	α-helix	trans	-76.6	-43.1	173.7	-66.3	166.3	0	0	0	110.8	V64 L100 D101 L106 L107 D108 I116	V64-I104 HydrophobicContact CB-CD1 3.93Å; V64-I104 HydrophobicContact CG2-CD1 4.02Å; L100-I104 HydrophobicContact CD1-CD1 4.06Å; L100-I104 HydrophobicContact CD1-CG1 4.36Å; L100-I104 HydrophobicContact CG-CD1 3.88Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-I104 PolarHBondContact O-N 3.06Å; D101-I104 PolarHBondContact O-N 3.44Å; I104-L106 VanDerWaalsContact C-N 3.27Å; I104-L106 PolarHBondContact O-N 3.18Å; I104-L107 WeakPolarHBondContact O-CA 3.37Å; I104-L107 VanDerWaalsContact O-CB 3.3Å; I104-L107 WeakPolarHBondContact O-CB 3.39Å; I104-L107 PolarHBondContact O-N 3.17Å; I104-D108 VanDerWaalsContact O-CG 3.32Å; I104-D108 PolarHBondContact O-N 2.58Å; I104-I116 HydrophobicContact CB-CD1 4.43Å; I104-I116 HydrophobicContact CG1-CD1 3.58Å
105	D	88.5	Confident	87.1	Confident	67 Å²	67	74.3 Å²	74.3	36%	0.358	38%	0.378	S	S	.	.	H	α-helix	trans	-60.7	-37	174	-175.4	39.2	0	0	0	111.8	D101 L107 D108 R109	D101-D105 WeakPolarHBondContact O-CB 3.4Å; D101-D105 PolarHBondContact O-N 3.33Å; D105-L107 PolarHBondContact O-N 2.77Å; D105-D108 PolarHBondContact O-N 2.86Å; D105-R109 WeakPolarHBondContact O-CB 3.46Å; D105-R109 VanDerWaalsContact O-CG 3.3Å; D105-R109 WeakPolarHBondContact O-CG 3.37Å; D105-R109 PolarHBondContact O-N 2.82Å; D105-R109 IonicContact OD1-CZ 3.22Å; D105-R109 IonicContact OD1-NE 3.01Å; D105-R109 PolarHBondContact OD1-NE 2.8Å; D105-R109 IonicContact OD1-NH2 2.71Å; D105-R109 PolarHBondContact OD1-NH2 3.07Å; D105-R109 IonicContact OD2-CZ 3.75Å; D105-R109 IonicContact OD2-NE 3.66Å; D105-R109 PolarHBondContact OD2-NE 2.84Å; D105-R109 IonicContact OD2-NH2 2.74Å; D105-R109 PolarHBondContact OD2-NH2 3.28Å
106	L	86.4	Confident	87.3	Confident	84 Å²	84	64.3 Å²	64.3	44%	0.44	34%	0.34	S	S	.	.	H	α-helix	trans	-67	-29.3	170.9	-74.6	174	0	0	0	114.1	Y85 K102 I104 S110	Y85-L106 HydrophobicContact CE1-CD1 4.09Å; K102-L106 WeakPolarHBondContact O-CB 3.38Å; K102-L106 VanDerWaalsContact O-CG 3.28Å; K102-L106 WeakPolarHBondContact O-CG 3.49Å; K102-L106 PolarHBondContact O-N 3.05Å; K102-L106 VanDerWaalsContact O-N 3.08Å; I104-L106 VanDerWaalsContact C-N 3.27Å; I104-L106 PolarHBondContact O-N 3.18Å; L106-S110 VanDerWaalsContact O-CB 3.29Å; L106-S110 WeakPolarHBondContact O-CB 3.37Å
107	L	86.2	Confident	87.4	Confident	14 Å²	14	70.9 Å²	70.9	7%	0.073	36%	0.358	C	S	.	.	H	α-helix	trans	-69	-48.3	170.3	172.7	66.4	0	0	0	110	V45 A103 I104 D105 S110 M113 I116	V45-L107 HydrophobicContact CG1-CD2 4.18Å; A103-L107 PolarHBondContact O-N 3.41Å; I104-L107 WeakPolarHBondContact O-CA 3.37Å; I104-L107 VanDerWaalsContact O-CB 3.3Å; I104-L107 WeakPolarHBondContact O-CB 3.39Å; I104-L107 PolarHBondContact O-N 3.17Å; D105-L107 PolarHBondContact O-N 2.77Å; L107-S110 PolarHBondContact O-N 3.49Å; L107-S110 VanDerWaalsContact O-N 3.07Å; L107-M113 HydrophobicContact CD1-CB 3.67Å; L107-M113 WeakPolarHBondContact CD1-O 3.41Å; L107-I116 HydrophobicContact CB-CG1 4.19Å; L107-I116 HydrophobicContact CD2-CD1 4.47Å; L107-I116 HydrophobicContact CD2-CG1 4.22Å
108	D	85.8	Confident	87.4	Confident	84 Å²	84	69 Å²	69	45%	0.449	35%	0.349	S	S	.	.	H	α-helix	trans	-71.9	-33.3	-169.9	-66.2	-16.7	0	0	0	113	R62 I104 D105 S110	R62-D108 IonicContact CZ-OD1 3.44Å; R62-D108 IonicContact CZ-OD2 2.69Å; R62-D108 IonicContact NH1-OD1 2.69Å; R62-D108 IonicContact NH1-OD2 3.2Å; R62-D108 PolarHBondContact NH1-OD2 2.84Å; R62-D108 IonicContact NH2-OD1 3.35Å; R62-D108 PolarHBondContact NH2-OD1 3.08Å; R62-D108 IonicContact NH2-OD2 3.4Å; R62-D108 PolarHBondContact NH2-OD2 3.44Å; I104-D108 VanDerWaalsContact O-CG 3.32Å; I104-D108 PolarHBondContact O-N 2.58Å; D105-D108 PolarHBondContact O-N 2.86Å; D108-S110 PolarHBondContact O-N 2.99Å
109	R	84.6	Confident	87.6	Confident	195 Å²	195	66.7 Å²	66.7	74%	0.736	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-10.9	171.4	-65.1	177.6	-164.2	-133.7	13	113.6	D105	D105-R109 WeakPolarHBondContact O-CB 3.46Å; D105-R109 VanDerWaalsContact O-CG 3.3Å; D105-R109 WeakPolarHBondContact O-CG 3.37Å; D105-R109 PolarHBondContact O-N 2.82Å; D105-R109 IonicContact OD1-CZ 3.22Å; D105-R109 IonicContact OD1-NE 3.01Å; D105-R109 PolarHBondContact OD1-NE 2.8Å; D105-R109 IonicContact OD1-NH2 2.71Å; D105-R109 PolarHBondContact OD1-NH2 3.07Å; D105-R109 IonicContact OD2-CZ 3.75Å; D105-R109 IonicContact OD2-NE 3.66Å; D105-R109 PolarHBondContact OD2-NE 2.84Å; D105-R109 IonicContact OD2-NH2 2.74Å; D105-R109 PolarHBondContact OD2-NH2 3.28Å
110	S	82.1	Confident	87.6	Confident	29 Å²	29	64.9 Å²	64.9	20%	0.203	33%	0.326	C	S	.	.			trans	-107.1	97.9	-171.4	-176.2	0	0	0	0	112.5	L106 L107 D108 S112 M113	L106-S110 VanDerWaalsContact O-CB 3.29Å; L106-S110 WeakPolarHBondContact O-CB 3.37Å; L107-S110 PolarHBondContact O-N 3.49Å; L107-S110 VanDerWaalsContact O-N 3.07Å; D108-S110 PolarHBondContact O-N 2.99Å; S110-S112 PolarHBondContact O-N 3.27Å; S110-S112 PolarHBondContact OG-OG 2.83Å; S110-M113 PolarHBondContact O-N 2.72Å; S110-M113 WeakPolarHBondContact OG-CG 3.42Å; S110-M113 PolarHBondContact OG-SD 3.46Å
111	S	76.1	Confident	87.6	Confident	131 Å²	131	68.3 Å²	68.3	92%	0.916	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-10.7	176.6	61.1	0	0	0	0	115.4
112	S	78.5	Confident	87.3	Confident	97 Å²	97	67.8 Å²	67.8	68%	0.678	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-22.1	176.7	69.8	0	0	0	0	114.2	S110	S110-S112 PolarHBondContact O-N 3.27Å; S110-S112 PolarHBondContact OG-OG 2.83Å
113	M	79.7	Confident	86.6	Confident	63 Å²	63	67.6 Å²	67.6	31%	0.31	35%	0.347	S	S	.	.			trans	-91.3	134.4	-176.1	-70.5	170.1	61	0	0	110.6	L107 S110	L107-M113 HydrophobicContact CD1-CB 3.67Å; L107-M113 WeakPolarHBondContact CD1-O 3.41Å; S110-M113 PolarHBondContact O-N 2.72Å; S110-M113 WeakPolarHBondContact OG-CG 3.42Å; S110-M113 PolarHBondContact OG-SD 3.46Å
114	K	85.7	Confident	84.9	Confident	156 Å²	156	76 Å²	76	68%	0.678	39%	0.385	S	S	*	.			trans	-125.1	10.3	-179	-57.7	-170.1	178.7	-171.4	0	113.1	R46	R46-K114 PolarHBondContact NE-O 3.44Å; R46-K114 VanDerWaalsContact NE-O 3.08Å
115	S	90.1	Very high	82.7	Confident	12 Å²	12	86.6 Å²	86.6	8%	0.084	42%	0.424	C	S	.	.	S	Bend	trans	-172.9	140.4	-178.9	58.1	0	0	0	0	111.4	R46 K48	R46-S115 CarbonylContact O-C 3.51Å; R46-S115 WeakPolarHBondContact O-CA 3.46Å; R46-S115 WeakPolarHBondContact O-CB 3.37Å; K48-S115 WeakPolarHBondContact CD-OG 3.46Å; K48-S115 VanDerWaalsContact CE-OG 3.25Å; K48-S115 WeakPolarHBondContact CE-OG 3.24Å; K48-S115 PolarHBondContact NZ-OG 2.76Å
116	I	92.4	Very high	80.3	Confident	0 Å²	0	88.4 Å²	88.4	0%	0	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	153.9	163.8	-67.7	161.2	0	0	0	109.5	V45 R46 I47 K48 Y85 I104 L107 I118	V45-I116 HydrophobicContact CG1-CD1 3.91Å; R46-I116 PolarHBondContact O-N 2.95Å; I47-I116 HydrophobicContact CG1-CB 4.4Å; I47-I116 HydrophobicContact CG2-CB 4.31Å; I47-I116 HydrophobicContact CG2-CG2 4.24Å; K48-I116 PolarHBondContact N-O 3.46Å; Y85-I116 HydrophobicContact CD2-CG2 3.71Å; Y85-I116 HydrophobicContact CE2-CG2 3.92Å; I104-I116 HydrophobicContact CB-CD1 4.43Å; I104-I116 HydrophobicContact CG1-CD1 3.58Å; L107-I116 HydrophobicContact CB-CG1 4.19Å; L107-I116 HydrophobicContact CD2-CD1 4.47Å; L107-I116 HydrophobicContact CD2-CG1 4.22Å; I116-I118 HydrophobicContact CG2-CD1 4.36Å; I116-I118 HydrophobicContact CG2-CG1 3.9Å
117	R	92.6	Very high	78	Confident	159 Å²	159	92.6 Å²	92.6	60%	0.6	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.8	168.5	-60.4	-176	-168.7	-169.1	6.4	109.8	K48 Y85 M86	K48-R117 CarbonylContact O-C 3.56Å; K48-R117 WeakPolarHBondContact O-CA 3.46Å; Y85-R117 WeakPolarHBondContact CA-O 3.44Å; Y85-R117 VanDerWaalsContact CD2-O 3.28Å; Y85-R117 WeakPolarHBondContact CD2-O 3.44Å; M86-R117 HydrophobicContact CB-CB 3.97Å; M86-R117 PolarHBondContact N-O 3.27Å
118	I	94.4	Very high	75.5	Confident	2 Å²	2	96 Å²	96	1%	0.01	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	119.9	175.6	-59.8	-175.5	0	0	0	108.4	I47 K48 F49 E50 L83 H84 L94 I116 L120	I47-I118 HydrophobicContact CG2-CB 4.41Å; I47-I118 HydrophobicContact CG2-CD1 3.6Å; I47-I118 HydrophobicContact CG2-CG1 3.79Å; K48-I118 PolarHBondContact O-N 2.94Å; F49-I118 CarbonylContact C-O 3.45Å; F49-I118 VanDerWaalsContact CA-O 3.29Å; F49-I118 WeakPolarHBondContact CA-O 3.43Å; F49-I118 HydrophobicContact CD1-CB 3.99Å; F49-I118 HydrophobicContact CD1-CG2 4.15Å; F49-I118 HydrophobicContact CE1-CB 4.01Å; F49-I118 HydrophobicContact CE1-CD1 3.95Å; F49-I118 HydrophobicContact CE1-CG1 4.46Å; F49-I118 HydrophobicContact CE1-CG2 4.13Å; F49-I118 HydrophobicContact CZ-CD1 4.34Å; E50-I118 PolarHBondContact N-O 3.18Å; L83-I118 HydrophobicContact CB-CG2 4.1Å; L83-I118 HydrophobicContact CD2-CD1 4.47Å; L83-I118 HydrophobicContact CD2-CG2 3.78Å; H84-I118 CarbonylContact O-C 3.58Å; H84-I118 VanDerWaalsContact O-CA 3.28Å; H84-I118 WeakPolarHBondContact O-CA 3.39Å; L94-I118 HydrophobicContact CD1-CD1 3.77Å; L94-I118 HydrophobicContact CD1-CG1 4.34Å; I116-I118 HydrophobicContact CG2-CD1 4.36Å; I116-I118 HydrophobicContact CG2-CG1 3.9Å; I118-L120 HydrophobicContact CG2-CD2 4.37Å
119	M	92.6	Very high	73.2	Confident	65 Å²	65	98 Å²	98	32%	0.32	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	141.8	163.5	-161.5	-171.8	-46.3	0	0	108.6	E50 H84 M86 L121	E50-M119 WeakPolarHBondContact O-CA 3.25Å; H84-M119 HydrophobicContact CB-CB 4.36Å; H84-M119 PolarHBondContact N-O 3.28Å; H84-M119 PolarHBondContact O-N 3.31Å; M86-M119 HydrophobicContact CE-CE 4.05Å; M86-M119 HydrophobicContact CG-CB 3.95Å; M86-M119 HydrophobicContact CG-CE 4.25Å; M86-M119 HydrophobicContact SD-CB 4.3Å; M86-M119 HydrophobicContact SD-CE 3.56Å; M86-M119 VanDerWaalsContact SD-CE 3.56Å; M119-L121 HydrophobicContact SD-CD2 3.99Å
120	L	92.7	Very high	70.7	Confident	4 Å²	4	94.5 Å²	94.5	2%	0.021	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.6	175.5	-65.7	173.1	0	0	0	109.1	F49 E50 Y51 V73 F77 L81 E82 L83 I118	F49-L120 HydrophobicContact CB-CD1 3.98Å; F49-L120 HydrophobicContact CD1-CD1 3.99Å; F49-L120 HydrophobicContact CD1-CD2 4.02Å; F49-L120 HydrophobicContact CD1-CG 4.08Å; F49-L120 HydrophobicContact CG-CD1 4.36Å; E50-L120 PolarHBondContact O-N 3.43Å; Y51-L120 HydrophobicContact CD2-CB 3.91Å; Y51-L120 WeakPolarHBondContact CD2-O 3.36Å; Y51-L120 HydrophobicContact CG-CB 4.29Å; V73-L120 HydrophobicContact CG1-CD1 3.92Å; V73-L120 HydrophobicContact CG1-CD2 3.84Å; V73-L120 HydrophobicContact CG2-CD1 4.37Å; V73-L120 HydrophobicContact CG2-CD2 4.24Å; F77-L120 HydrophobicContact CD2-CD1 3.74Å; F77-L120 HydrophobicContact CE2-CD1 3.39Å; F77-L120 HydrophobicContact CZ-CD1 3.92Å; L81-L120 HydrophobicContact CB-CB 4.19Å; L81-L120 HydrophobicContact CB-CD2 4.12Å; L81-L120 HydrophobicContact CD1-CB 4.02Å; L81-L120 HydrophobicContact CD1-CD1 3.95Å; L81-L120 HydrophobicContact CD1-CG 4.44Å; E82-L120 WeakPolarHBondContact O-CA 3.46Å; L83-L120 HydrophobicContact CD2-CD2 3.6Å; L83-L120 HydrophobicContact CG-CD2 4.48Å; I118-L120 HydrophobicContact CG2-CD2 4.37Å
121	L	89.8	Confident	68.2	Low	73 Å²	73	100.1 Å²	100.1	38%	0.382	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144.6	176.1	-61.7	-179.8	0	0	0	110.7	L81 E82 M119	L81-L121 CarbonylContact C-O 3.52Å; L81-L121 WeakPolarHBondContact CA-O 3.35Å; L81-L121 WeakPolarHBondContact CD2-O 3.17Å; E82-L121 PolarHBondContact N-O 2.86Å; E82-L121 PolarHBondContact O-N 3.32Å; E82-L121 VanDerWaalsContact O-N 3.08Å; M119-L121 HydrophobicContact SD-CD2 3.99Å
122	S	86.5	Confident	66.2	Low	61 Å²	61	98 Å²	98	43%	0.427	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.6	175	-171.8	0	0	0	0	109.8	Q79 E124	Q79-S122 PolarHBondContact NE2-OG 3.43Å; Q79-S122 VanDerWaalsContact NE2-OG 3.12Å; S122-E124 PolarHBondContact O-N 3.27Å; S122-E124 VanDerWaalsContact O-N 3.09Å
123	Q	74.3	Confident	64.1	Low	108 Å²	108	101.1 Å²	101.1	51%	0.505	54%	0.538	S	S	.	.			trans	-75.3	99.3	-178.9	-172.4	169	71.5	0	0	110.5	E82 R125	E82-Q123 HydrophobicContact CG-CB 4.5Å; E82-Q123 PolarHBondContact OE1-NE2 3.05Å; Q123-R125 PolarHBondContact O-N 3.09Å
124	E	53.3	Low	61.9	Low	177 Å²	177	106.3 Å²	106.3	83%	0.827	56%	0.561	S	S	*	*			trans	-67.1	119.7	173.2	-68.1	-168.1	161.2	0	0	110.2	S122 S126	S122-E124 PolarHBondContact O-N 3.27Å; S122-E124 VanDerWaalsContact O-N 3.09Å; E124-S126 VanDerWaalsContact C-N 3.33Å; E124-S126 PolarHBondContact O-N 3.23Å
125	R	44.5	Very low	59.2	Low	237 Å²	237	102.3 Å²	102.3	89%	0.894	56%	0.564	S	S	*	*			trans	-76.5	82.7	176.1	-74.9	-175.2	170.7	-173.6	-3	110.7	Q123 N127	Q123-R125 PolarHBondContact O-N 3.09Å; R125-N127 PolarHBondContact O-N 3.05Å
126	S	37.9	Very low	56.9	Low	106 Å²	106	107.8 Å²	107.8	74%	0.741	60%	0.599	S	S	*	*			trans	-72.1	49.9	177.5	50.7	0	0	0	0	114.3	E124 A128	E124-S126 VanDerWaalsContact C-N 3.33Å; E124-S126 PolarHBondContact O-N 3.23Å; S126-A128 PolarHBondContact O-N 2.94Å
127	N	39.4	Very low	53.7	Low	172 Å²	172	112.5 Å²	112.5	92%	0.92	63%	0.631	S	S	*	*			trans	-78.1	61.3	168	-94.5	19.4	0	0	0	111.3	R125	R125-N127 PolarHBondContact O-N 3.05Å
128	A	33.1	Very low	50.8	Low	84 Å²	84	113.7 Å²	113.7	69%	0.694	64%	0.641	S	S	*	*	S	Bend	trans	-149.6	116.3	166.9	0	0	0	0	0	109.6	S126 S130	S126-A128 PolarHBondContact O-N 2.94Å; A128-S130 PolarHBondContact O-N 2.95Å
129	S	37.7	Very low	47.7	Very low	127 Å²	127	122.6 Å²	122.6	89%	0.888	68%	0.682	S	S	*	*			trans	-71.5	112.5	179.2	51.9	0	0	0	0	111.4
130	S	31.3	Very low	44.8	Very low	122 Å²	122	125.9 Å²	125.9	85%	0.853	71%	0.706	S	S	*	*			trans	-98	102.3	170.6	59.4	0	0	0	0	110.9	A128	A128-S130 PolarHBondContact O-N 2.95Å
131	N	30.8	Very low	41.7	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	75%	0.745	S	S	*	*			trans	-99.8	141.4	163.2	-159	11.4	0	0	0	109.2
132	S	32.3	Very low	38.8	Very low	87 Å²	87	138.9 Å²	138.9	61%	0.608	76%	0.758	S	S	*	*	S	Bend	trans	54.2	110.8	164.5	49.9	0	0	0	0	121
133	H	34.3	Very low	36.2	Very low	162 Å²	162	145.5 Å²	145.5	75%	0.75	78%	0.779	S	S	*	*				81.5	128.5	128.6	-74.4	-69	0	0	0	124.2
134	H	33.7	Very low	34	Very low	172 Å²	172	145 Å²	145	80%	0.796	79%	0.793	S	S	*	*			trans	54.4	124.4	150.9	-61.9	-66.7	0	0	0	121.7
135	G	28.8	Very low	33.2	Very low	71 Å²	71	140.9 Å²	140.9	73%	0.732	78%	0.784	S	S	*	*			trans	-92.8	-151.1	156.9	0	0	0	0	0	111.8
136	P	43	Very low	32.6	Very low	128 Å²	128	137.8 Å²	137.8	83%	0.831	78%	0.779	S	S	*	*			cis	-136.6	-166.3	6.7	41.4	-22.7	0	0	0	114.7
137	C	25.9	Very low	32.3	Very low	98 Å²	98	138 Å²	138	66%	0.662	78%	0.78	S	S	*	*			trans	89.2	121	151.1	-145.9	0	0	0	0	120
138	K	31	Very low	32.2	Very low	185 Å²	185	136.6 Å²	136.6	80%	0.804	78%	0.778	S	S	*	*			trans	25.8	130.3	144	-52.1	169.1	-166.2	170	0	119.6
139	Q	28.7	Very low	32.1	Very low	188 Å²	188	135.5 Å²	135.5	88%	0.879	78%	0.775	S	S	*	*				-173.5	170.9	95.2	-100.7	-170	15.6	0	0	113.8
140	V	31.7	Very low	31.9	Very low	135 Å²	135	136.9 Å²	136.9	82%	0.818	77%	0.773	S	S	*	*			trans	-108.4	131.1	179.9	170.4	0	0	0	0	110.1
141	R	28.3	Very low	32.1	Very low	222 Å²	222	136.6 Å²	136.6	84%	0.838	77%	0.765	S	S	*	*			trans	-158.2	113.4	153.8	-139.7	163.1	-179.5	121.3	1.8	116.6
142	I	28.2	Very low	32.1	Very low	128 Å²	128	135.2 Å²	135.2	66%	0.656	77%	0.767	S	S	*	*			trans	39	131.6	130.9	-51.3	171.2	0	0	0	120.6
143	K	33.1	Very low	32	Very low	199 Å²	199	137.8 Å²	137.8	87%	0.865	78%	0.779	S	S	*	*			trans	3.4	150.7	141.7	-54	-178.2	180	-178.5	0	118.3
144	A	27.3	Very low	31.9	Very low	99 Å²	99	133.9 Å²	133.9	82%	0.818	78%	0.775	S	S	*	*			cis	-158.1	-146.6	48.4	0	0	0	0	0	115.9
145	S	35.5	Very low	31.7	Very low	89 Å²	89	137 Å²	137	62%	0.622	78%	0.782	S	S	*	*			trans	-112.2	-163	-149.6	45.7	0	0	0	0	115.3
146	H	33.2	Very low	32.1	Very low	173 Å²	173	141.8 Å²	141.8	80%	0.801	79%	0.785	S	S	*	*			trans	92.2	148.5	169.6	-49.9	-75.8	0	0	0	116.8
147	S	32	Very low	31.9	Very low	109 Å²	109	141.1 Å²	141.1	76%	0.762	78%	0.781	S	S	*	*			cis	148	98.6	-34	173.4	0	0	0	0	112.2
148	T	36.3	Very low	32	Very low	143 Å²	143	141.3 Å²	141.3	88%	0.877	78%	0.783	S	S	*	*			trans	-153	155.1	157.8	46.6	0	0	0	0	106.3
149	G	31	Very low	32.2	Very low	61 Å²	61	140.5 Å²	140.5	63%	0.629	78%	0.782	S	S	*	*			cis	91.7	123.2	32.1	0	0	0	0	0	109.6
150	D	33.3	Very low	32.9	Very low	156 Å²	156	137.1 Å²	137.1	83%	0.834	78%	0.777	S	S	*	*			cis	-161	167.2	0.3	-122.3	-29	0	0	0	114.1
151	V	36.1	Very low	32.8	Very low	116 Å²	116	140.8 Å²	140.8	70%	0.703	78%	0.776	S	S	*	*			trans	26.9	126.3	152.8	-179.6	0	0	0	0	122
152	S	30.7	Very low	32.9	Very low	118 Å²	118	134.2 Å²	134.2	83%	0.825	78%	0.777	S	S	*	*				-175.7	130.9	121.1	-80.5	0	0	0	0	115.5
153	T	30.6	Very low	33	Very low	141 Å²	141	138.2 Å²	138.2	87%	0.865	78%	0.784	S	S	*	*			trans	-89.1	172.8	164.9	7.3	0	0	0	0	110.4
154	A	32.2	Very low	33.1	Very low	80 Å²	80	137.1 Å²	137.1	66%	0.661	78%	0.782	S	S	*	*			cis	-159.5	172.8	-6.8	0	0	0	0	0	107.4
155	Y	28.3	Very low	33.4	Very low	239 Å²	239	139 Å²	139	94%	0.937	78%	0.777	S	S	*	*			trans	-179.9	153.1	137.9	-107.2	-72.5	0	0	0	111.5
156	Q	36.8	Very low	33.2	Very low	170 Å²	170	139.9 Å²	139.9	79%	0.794	78%	0.783	S	S	*	*			trans	-133.3	151.9	169.8	-163.9	-164.5	51.5	0	0	108.5
157	P	39.1	Very low	33.1	Very low	114 Å²	114	138.2 Å²	138.2	74%	0.74	79%	0.785	S	S	*	*			trans	-147.1	144.7	131.9	36.6	-20.8	0	0	0	116.8
158	S	28.3	Very low	33	Very low	103 Å²	103	136.2 Å²	136.2	72%	0.72	78%	0.783	S	S	*	*			trans	35.6	134.4	143.4	63.8	0	0	0	0	124
159	E	34.7	Very low	32.9	Very low	168 Å²	168	135 Å²	135	79%	0.785	78%	0.78	S	S	*	*			trans	-65	176.4	153.8	-54.9	-171.5	155.6	0	0	113.5
160	P	44.2	Very low	33.1	Very low	117 Å²	117	139.9 Å²	139.9	76%	0.76	79%	0.786	S	S	*	*				-146.8	135.7	97.8	36.5	-20.4	0	0	0	118.2
161	R	30.5	Very low	33.1	Very low	212 Å²	212	138.3 Å²	138.3	80%	0.8	78%	0.778	S	S	*	*			trans	48.6	122.3	136.7	-64.4	178.5	173	169.3	-0.1	121.4
162	G	28.8	Very low	33.2	Very low	84 Å²	84	139.4 Å²	139.4	87%	0.866	79%	0.785	S	S	*	*			trans	-149.6	78.7	160.2	0	0	0	0	0	113.3
163	R	30.8	Very low	33.2	Very low	212 Å²	212	137.7 Å²	137.7	80%	0.8	79%	0.785	S	S	*	*			trans	-66.1	149.7	-176.6	-65.1	169.2	168.3	169	-6.6	113.1
164	H	35.2	Very low	33.8	Very low	176 Å²	176	143 Å²	143	82%	0.815	79%	0.79	S	S	*	*				-155.4	124.6	122.2	-108.8	-79.8	0	0	0	112.7
165	L	33.1	Very low	34.2	Very low	137 Å²	137	144.8 Å²	144.8	72%	0.717	80%	0.798	S	S	*	*			trans	27.3	127	151	-53.1	175.7	0	0	0	120.2
166	S	31.5	Very low	35.2	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	79%	0.791	S	S	*	*				70.9	137.8	55.1	-57	0	0	0	0	113.2
167	T	31.6	Very low	36	Very low	138 Å²	138	135.8 Å²	135.8	85%	0.847	79%	0.786	S	S	*	*			cis	-130.7	155.6	5.6	42	0	0	0	0	109.7
168	G	29.7	Very low	36.7	Very low	68 Å²	68	135.3 Å²	135.3	70%	0.701	78%	0.783	S	S	*	*				101.6	93.3	58.9	0	0	0	0	0	108.9
169	S	34	Very low	37.1	Very low	117 Å²	117	137 Å²	137	82%	0.818	79%	0.791	S	S	*	*				80.8	117.6	78.3	-176.1	0	0	0	0	114
170	Q	35.3	Very low	37.9	Very low	164 Å²	164	132.5 Å²	132.5	77%	0.766	79%	0.79	S	S	*	*				-177.1	113.7	129.6	-87.9	-102	-7.1	0	0	112.2
171	N	33.7	Very low	38.3	Very low	122 Å²	122	135.1 Å²	135.1	65%	0.652	79%	0.786	S	S	*	*			trans	61.6	132.6	139.1	-73.6	-29.5	0	0	0	125.9
172	T	37.4	Very low	39.5	Very low	140 Å²	140	128.8 Å²	128.8	86%	0.859	77%	0.771	S	S	*	*			trans	65.6	120	143.5	53.6	0	0	0	0	121.6
173	G	32.3	Very low	40.8	Very low	81 Å²	81	128 Å²	128	84%	0.835	75%	0.751	S	S	*	*			trans	175.7	102.5	163	0	0	0	0	0	114
174	R	41.8	Very low	41.8	Very low	252 Å²	252	124.8 Å²	124.8	95%	0.951	75%	0.745	S	S	*	*			trans	-98	124.2	164.5	-99.2	-171.9	170.8	-161	0.2	108.9
175	S	41.3	Very low	42.4	Very low	119 Å²	119	127.6 Å²	127.6	83%	0.832	75%	0.748	S	S	*	*			trans	-162	121.1	153.8	44	0	0	0	0	111.7
176	S	49.1	Very low	43.2	Very low	114 Å²	114	127.4 Å²	127.4	80%	0.797	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-86.9	146	161.8	-55.4	0	0	0	0	108.8
177	P	53.9	Low	44	Very low	106 Å²	106	127.9 Å²	127.9	69%	0.688	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-67.7	144.6	174.1	28.8	-34.2	0	0	0	111
178	P	53.7	Low	44.7	Very low	104 Å²	104	131.9 Å²	131.9	68%	0.675	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-74.2	164.8	176.6	31.8	-35.7	0	0	0	112.2	G180	P178-G180 PolarHBondContact O-N 3.43Å
179	P	37.1	Very low	45.5	Very low	138 Å²	138	136.1 Å²	136.1	90%	0.896	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	134.8	174.8	-21	33.2	0	0	0	111.9
180	G	50.3	Low	45.7	Very low	74 Å²	74	134.9 Å²	134.9	76%	0.763	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	112.7	-1.6	174.8	0	0	0	0	0	116.4	P178 V182	P178-G180 PolarHBondContact O-N 3.43Å; G180-V182 PolarHBondContact O-N 3.19Å
181	Y	53.2	Low	45.9	Very low	172 Å²	172	137.7 Å²	137.7	68%	0.675	74%	0.739	S	S	*	*			trans	-71.5	113.2	177.5	-170.8	-97.3	0	0	0	112.5
182	V	56.7	Low	46	Very low	78 Å²	78	140.9 Å²	140.9	47%	0.473	75%	0.75	S	S	.	*			trans	-107.2	122.3	175.1	179.4	0	0	0	0	109.7	G180 Q186	G180-V182 PolarHBondContact O-N 3.19Å; V182-Q186 HydrophobicContact CG1-CB 4.24Å
183	P	55.2	Low	45.6	Very low	69 Å²	69	137.8 Å²	137.8	45%	0.448	75%	0.746	S	S	.	*			trans	-61.9	140.8	-178.8	-24.9	35	0	0	0	114.3	R185 Q186	P183-R185 PolarHBondContact O-N 3.13Å; P183-Q186 PolarHBondContact O-N 3.38Å
184	E	51.7	Low	45.6	Very low	144 Å²	144	139.3 Å²	139.3	67%	0.673	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-57.2	-17.1	-173.8	-76	174	102.7	0	0	115.6	Q186 Q187	E184-Q186 PolarHBondContact O-N 3.49Å; E184-Q187 PolarHBondContact O-N 2.9Å
185	R	47.3	Very low	45.4	Very low	234 Å²	234	136.7 Å²	136.7	88%	0.883	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-61.9	-25.9	174.1	-168.1	176.2	-72	-152.4	0.6	112.7	P183	P183-R185 PolarHBondContact O-N 3.13Å
186	Q	51.4	Low	45.1	Very low	134 Å²	134	136.3 Å²	136.3	63%	0.626	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-91.6	-14	179.4	-80.8	170.4	-63.3	0	0	114.6	V182 P183 E184 R188	V182-Q186 HydrophobicContact CG1-CB 4.24Å; P183-Q186 PolarHBondContact O-N 3.38Å; E184-Q186 PolarHBondContact O-N 3.49Å; Q186-R188 PolarHBondContact O-N 3.27Å
187	Q	47.7	Very low	44.4	Very low	118 Å²	118	135.7 Å²	135.7	55%	0.551	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-11.7	-178.2	-68.7	-176.1	-5.7	0	0	114.2	E184 I189	E184-Q187 PolarHBondContact O-N 2.9Å; Q187-I189 PolarHBondContact O-N 3.28Å
188	R	46.6	Very low	43.3	Very low	222 Å²	222	137.6 Å²	137.6	84%	0.838	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-11	-176.5	-68.7	-167.5	175.5	-150.9	-1.8	115.5	Q186	Q186-R188 PolarHBondContact O-N 3.27Å
189	I	46.3	Very low	42.2	Very low	157 Å²	157	139.7 Å²	139.7	81%	0.805	73%	0.732	S	S	*	*	S	Bend	trans	-84.1	-24.5	-179.1	-59.6	179	0	0	0	111.7	Q187 R191	Q187-I189 PolarHBondContact O-N 3.28Å; I189-R191 PolarHBondContact O-N 3.4Å
190	A	37.8	Very low	42	Very low	91 Å²	91	138.6 Å²	138.6	75%	0.752	73%	0.727	S	S	*	*	S	Bend	trans	-89.8	25.8	-171.4	0	0	0	0	0	115.3
191	R	39.8	Very low	41.2	Very low	222 Å²	222	144.1 Å²	144.1	84%	0.838	73%	0.734	S	S	*	*	S	Bend	trans	-142.2	34.3	-170.6	-70.1	-163.5	174.9	-155.4	0.3	116.8	I189	I189-R191 PolarHBondContact O-N 3.4Å
192	Q	34.9	Very low	40	Very low	189 Å²	189	139.5 Å²	139.5	88%	0.883	74%	0.738	S	S	*	*	S	Bend	trans	-143.8	99.7	172.9	-67.5	-171.5	-19.7	0	0	113.7
193	G	30.7	Very low	38.7	Very low	75 Å²	75	145.6 Å²	145.6	77%	0.773	76%	0.761	S	S	*	*			trans	73.9	135.7	170.5	0	0	0	0	0	116
194	S	32.1	Very low	37.3	Very low	114 Å²	114	151.2 Å²	151.2	80%	0.797	78%	0.779	S	S	*	*			cis	69.1	137.6	9.7	-120.2	0	0	0	0	116.1
195	Y	37.4	Very low	36.2	Very low	197 Å²	197	151 Å²	151	77%	0.773	78%	0.781	S	S	*	*			cis	-161.1	170	13.3	-165.9	-134.9	0	0	0	113.4
196	T	35.4	Very low	36.4	Very low	111 Å²	111	145.1 Å²	145.1	68%	0.681	77%	0.773	S	S	*	*			trans	61.5	153	165.2	38.7	0	0	0	0	118.9
197	S	33.8	Very low	35.3	Very low	101 Å²	101	146.7 Å²	146.7	71%	0.706	78%	0.78	S	S	*	*			cis	-161.1	175.8	-11.5	45.5	0	0	0	0	107.5
198	I	30.8	Very low	34.5	Very low	146 Å²	146	146.6 Å²	146.6	75%	0.749	79%	0.788	S	S	*	*			cis	-151	162.3	30.8	42.1	171.5	0	0	0	111.3
199	N	30.9	Very low	33.9	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	78%	0.78	S	S	*	*			trans	-96.4	158	164.5	-67.7	5.7	0	0	0	110.9
200	S	31.2	Very low	33.2	Very low	115 Å²	115	139.4 Å²	139.4	80%	0.804	78%	0.776	S	S	*	*			trans	-140.1	125.7	156.6	-48.6	0	0	0	0	109.2
201	E	33.6	Very low	33.1	Very low	191 Å²	191	143 Å²	143	89%	0.893	78%	0.777	S	S	*	*			trans	-108.8	156.9	172	-64	175.5	139.5	0	0	109.4
202	G	29.1	Very low	32.6	Very low	74 Å²	74	137.8 Å²	137.8	76%	0.763	77%	0.773	S	S	*	*			trans	-178.4	147	179.9	0	0	0	0	0	112.4
203	E	29.3	Very low	32.6	Very low	206 Å²	206	134.4 Å²	134.4	96%	0.963	77%	0.765	S	S	*	*			trans	-107.7	-136.6	-158.8	-58.7	-175.1	109.3	0	0	115.6
204	F	24.9	Very low	32.6	Very low	187 Å²	187	137.5 Å²	137.5	82%	0.82	76%	0.763	S	S	*	*			trans	-129.6	162.9	-136.9	-160.7	-136.3	0	0	0	113.1
205	I	28.8	Very low	32.9	Very low	140 Å²	140	139.3 Å²	139.3	72%	0.718	76%	0.764	S	S	*	*			trans	71.1	166.9	166.2	11.2	-173.6	0	0	0	118.8
206	P	51	Low	33.1	Very low	110 Å²	110	134 Å²	134	71%	0.714	75%	0.753	S	S	*	*				-137	-161.4	-111.6	47.3	-27.8	0	0	0	116.4
207	E	29.9	Very low	32.7	Very low	167 Å²	167	139.8 Å²	139.8	78%	0.78	76%	0.763	S	S	*	*			trans	130.1	132.7	148.5	-66.9	-145.7	127.1	0	0	116.6
208	T	30.9	Very low	32.4	Very low	117 Å²	117	139.8 Å²	139.8	72%	0.718	76%	0.763	S	S	*	*			trans	37.5	133.1	145.3	61.1	0	0	0	0	121.1
209	S	33.3	Very low	32.4	Very low	96 Å²	96	137.9 Å²	137.9	67%	0.671	76%	0.762	S	S	*	*			cis	-147.5	-165.8	6.9	-56.1	0	0	0	0	109.7
210	D	32.2	Very low	32.4	Very low	132 Å²	132	135.1 Å²	135.1	71%	0.706	76%	0.76	S	S	*	*			cis	-143.6	158.5	5.4	-99.1	-48.8	0	0	0	107.8
211	Q	34.9	Very low	32.3	Very low	167 Å²	167	137.3 Å²	137.3	78%	0.78	76%	0.758	S	S	*	*				71.7	116.3	52.1	-140.3	147.6	125.8	0	0	111.8
212	C	29.1	Very low	32.2	Very low	111 Å²	111	134.5 Å²	134.5	75%	0.75	75%	0.748	S	S	*	*			cis	-150.4	173.6	33.1	-112.6	0	0	0	0	109.4
213	V	34.6	Very low	32.2	Very low	119 Å²	119	136.2 Å²	136.2	72%	0.721	75%	0.749	S	S	*	*			cis	176.1	148.2	-19.2	124.3	0	0	0	0	105.3
214	L	30.4	Very low	32.2	Very low	139 Å²	139	133 Å²	133	73%	0.728	74%	0.743	S	S	*	*			cis	-149.4	164	3.1	-123.2	174.8	0	0	0	109.1
215	D	39.3	Very low	32.5	Very low	153 Å²	153	130.3 Å²	130.3	82%	0.818	75%	0.747	S	S	*	*			trans	-133.8	138	153.2	-109.2	-28.2	0	0	0	107.2
216	P	41.6	Very low	32.6	Very low	84 Å²	84	127.3 Å²	127.3	55%	0.545	75%	0.751	S	S	.	*			trans	-147.1	147.4	140.7	28.8	-10.1	0	0	0	113.8
217	W	27.3	Very low	31.7	Very low	234 Å²	234	127.3 Å²	127.3	89%	0.886	75%	0.754	S	S	*	*			cis	-143.2	147.4	-4.7	-79.7	-49	0	0	0	107.2
218	S	27.7	Very low	31.8	Very low	101 Å²	101	123.9 Å²	123.9	71%	0.706	75%	0.747	S	S	*	*				58.9	142.1	73.7	139.1	0	0	0	0	114.7
219	S	30.7	Very low	31.9	Very low	105 Å²	105	127 Å²	127	73%	0.734	75%	0.753	S	S	*	*			cis	-178.8	161.9	-20.4	-107.9	0	0	0	0	109.3
220	A	30.7	Very low	31.8	Very low	89 Å²	89	127 Å²	127	74%	0.736	75%	0.753	S	S	*	*			trans	66.9	160	157.8	0	0	0	0	0	116.7
221	E	29.3	Very low	31.8	Very low	162 Å²	162	127.2 Å²	127.2	76%	0.757	75%	0.754	S	S	*	*			cis	-164.8	168.6	-18.3	-119.1	-177.5	168.6	0	0	111.6
222	N	31	Very low	31.7	Very low	131 Å²	131	125.8 Å²	125.8	70%	0.701	75%	0.752	S	S	*	*			trans	70.9	147.8	150.7	-68.8	-39.1	0	0	0	123.1
223	S	28.9	Very low	31.9	Very low	110 Å²	110	124.7 Å²	124.7	77%	0.769	75%	0.745	S	S	*	*			trans	61.7	119	161	-59.9	0	0	0	0	118.7
224	V	30.3	Very low	31.6	Very low	139 Å²	139	126.4 Å²	126.4	84%	0.842	75%	0.751	S	S	*	*			cis	79.2	120.4	45.9	-177.3	0	0	0	0	113.9
225	S	31.1	Very low	31.5	Very low	130 Å²	130	124.5 Å²	124.5	91%	0.909	75%	0.749	S	S	*	*			trans	74.3	154.4	173.2	-153.8	0	0	0	0	117.4
226	G	30.1	Very low	31.1	Very low	78 Å²	78	126.2 Å²	126.2	80%	0.804	75%	0.752	S	S	*	*			trans	130.6	77.9	-180	0	0	0	0	0	113.8
227	S	32.8	Very low	30.6	Very low	109 Å²	109	127.7 Å²	127.7	76%	0.762	76%	0.764	S	S	*	*			trans	-101.5	146.6	176.7	-165.2	0	0	0	0	112.3
228	C	31.2	Very low	31.5	Very low	95 Å²	95	121.9 Å²	121.9	64%	0.642	76%	0.756	S	S	*	*			trans	37.6	117.3	158.4	59.8	0	0	0	0	121.2
229	Q	33.3	Very low	31.7	Very low	182 Å²	182	121.6 Å²	121.6	85%	0.85	75%	0.754	S	S	*	*				179.1	140.4	120.8	-92.5	150.9	98.5	0	0	107.9
230	S	31.6	Very low	31.8	Very low	96 Å²	96	123.5 Å²	123.5	67%	0.671	76%	0.756	S	S	*	*				68.2	126.1	50.8	-177.4	0	0	0	0	111.7
231	L	32	Very low	32	Very low	138 Å²	138	128.6 Å²	128.6	72%	0.723	76%	0.756	S	S	*	*			cis	-159.9	179.1	-2.6	-118.3	173.6	0	0	0	108.1
232	D	32	Very low	32.1	Very low	137 Å²	137	129.3 Å²	129.3	73%	0.733	76%	0.757	S	S	*	*			trans	64.8	157.9	157.6	-61.3	-30.3	0	0	0	119.7
233	S	33.9	Very low	32.2	Very low	88 Å²	88	128.6 Å²	128.6	62%	0.615	76%	0.762	S	S	*	*			cis	-164.9	155.1	-31.3	59.9	0	0	0	0	109.3
234	N	27.7	Very low	32.6	Very low	155 Å²	155	134 Å²	134	83%	0.829	77%	0.765	S	S	*	*			trans	60.9	160.6	163.1	-70.2	-21.8	0	0	0	117.1
235	S	28.9	Very low	32.9	Very low	98 Å²	98	133.8 Å²	133.8	69%	0.685	76%	0.757	S	S	*	*			cis	-164.6	139.9	-22	45.4	0	0	0	0	108.1
236	E	30.5	Very low	33	Very low	189 Å²	189	134.9 Å²	134.9	88%	0.883	75%	0.747	S	S	*	*			trans	-176	157.4	137.4	-109.3	172.4	-174.5	0	0	112.7
237	S	32.3	Very low	33.1	Very low	115 Å²	115	140.9 Å²	140.9	80%	0.804	75%	0.746	S	S	*	*			trans	-160.3	135.7	167.4	-76	0	0	0	0	107.9
238	P	46.2	Very low	33	Very low	112 Å²	112	140.1 Å²	140.1	73%	0.727	75%	0.746	S	S	*	*				-145.5	121.2	126.3	32.3	-15.1	0	0	0	115.6
239	S	32.3	Very low	33	Very low	95 Å²	95	145.8 Å²	145.8	66%	0.664	76%	0.759	S	S	*	*				82	130.7	124.5	84.4	0	0	0	0	121.7
240	L	32.8	Very low	33	Very low	146 Å²	146	142.5 Å²	142.5	76%	0.764	76%	0.757	S	S	*	*			trans	75.2	138.8	140.8	-65.6	165.3	0	0	0	118.3
241	R	33.3	Very low	33.1	Very low	196 Å²	196	148.2 Å²	148.2	74%	0.74	77%	0.765	S	S	*	*			cis	-145	143.1	11.5	-73.3	-163.2	163.4	175.6	-2.6	115.5
242	K	32.7	Very low	33.8	Very low	177 Å²	177	147.3 Å²	147.3	77%	0.77	77%	0.768	S	S	*	*			trans	49.5	117.3	135.4	-59.5	177.1	-179	-175.8	0	122.2
243	S	33.2	Very low	33.7	Very low	116 Å²	116	147.4 Å²	147.4	81%	0.811	77%	0.768	S	S	*	*				-169	101.5	109	-163.4	0	0	0	0	109.3
244	R	36.2	Very low	33.7	Very low	224 Å²	224	150.7 Å²	150.7	85%	0.845	78%	0.779	S	S	*	*				82.6	129.2	83.6	-159.1	174.8	-168.5	178.5	4.2	113.9
245	M	37	Very low	33.8	Very low	133 Å²	133	153.9 Å²	153.9	66%	0.655	78%	0.779	S	S	*	*			trans	-92.8	-172.2	-169.5	-42.1	172.5	76.5	0	0	112.2	R247	M245-R247 HydrophobicContact CE-CB 4.26Å
246	H	33	Very low	33.8	Very low	154 Å²	154	156.4 Å²	156.4	71%	0.713	78%	0.78	S	S	*	*				-148.9	131.6	58	-74.2	-86.1	0	0	0	110.8
247	R	32.7	Very low	33.8	Very low	204 Å²	204	155.2 Å²	155.2	77%	0.77	77%	0.774	S	S	*	*				80.9	104.4	62.4	-173.3	174.3	-176.2	139.9	2.2	113.3	M245	M245-R247 HydrophobicContact CE-CB 4.26Å
248	A	30.7	Very low	33.6	Very low	93 Å²	93	156.1 Å²	156.1	77%	0.769	78%	0.775	S	S	*	*			trans	-70.9	161.6	168.2	0	0	0	0	0	112.7
249	K	31.6	Very low	32.7	Very low	213 Å²	213	155.1 Å²	155.1	93%	0.926	77%	0.771	S	S	*	*			trans	-101.5	149.2	172.8	-74.2	-174.3	175.5	-178.2	0	111.3
250	S	32.9	Very low	32.7	Very low	114 Å²	114	156.9 Å²	156.9	80%	0.797	77%	0.773	S	S	*	*			trans	-101.1	175.1	177.5	53.3	0	0	0	0	112.3
251	Y	33.5	Very low	32.6	Very low	216 Å²	216	159.3 Å²	159.3	85%	0.847	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-48.6	154.2	169.6	-72.9	-99.8	0	0	0	114.1
252	P	45.8	Very low	32.5	Very low	119 Å²	119	156.5 Å²	156.5	77%	0.773	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-78.7	130.4	152.3	33.6	-29.3	0	0	0	110.5
253	D	31.4	Very low	32.4	Very low	139 Å²	139	153.2 Å²	153.2	74%	0.743	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-85.7	156.2	148.8	-176	15.4	0	0	0	107.6
254	N	32.7	Very low	32.3	Very low	157 Å²	157	155.4 Å²	155.4	84%	0.84	76%	0.755	S	S	*	*			trans	-149.5	113.9	167.7	-156.7	20.3	0	0	0	110.9
255	R	30.1	Very low	32	Very low	222 Å²	222	151.2 Å²	151.2	84%	0.838	75%	0.747	S	S	*	*			trans	-148	122.5	-170.9	-172.9	-175.8	-171.8	-170.3	2.7	108.8
256	Q	29.9	Very low	31.8	Very low	151 Å²	151	154.1 Å²	154.1	71%	0.706	75%	0.752	S	S	*	*			trans	-146	115.5	177	-164	155	9.2	0	0	110
257	E	29.8	Very low	31.7	Very low	163 Å²	163	152.4 Å²	152.4	76%	0.762	75%	0.748	S	S	*	*			trans	52.6	152.4	133.6	-57.4	168.6	157.6	0	0	119
258	V	28.4	Very low	31.6	Very low	135 Å²	135	153.8 Å²	153.8	82%	0.818	75%	0.753	S	S	*	*			cis	-131.9	177.5	19.8	178.3	0	0	0	0	110.3
259	S	26.9	Very low	31.5	Very low	91 Å²	91	155.4 Å²	155.4	64%	0.636	75%	0.753	S	S	*	*			trans	-71.1	162.2	174.5	56.8	0	0	0	0	114.9
260	D	31.7	Very low	31.6	Very low	132 Å²	132	150 Å²	150	71%	0.706	75%	0.748	S	S	*	*				-171	145.1	106.6	-101.2	14.2	0	0	0	116.4
261	R	32.1	Very low	31.5	Very low	197 Å²	197	147.9 Å²	147.9	74%	0.743	74%	0.744	S	S	*	*			trans	34.5	121.6	152.2	-73.6	-173.2	149.4	112.9	-0.9	124.7
262	E	31	Very low	31.4	Very low	136 Å²	136	148 Å²	148	64%	0.636	75%	0.749	S	S	*	*				79.3	110.5	120.8	-65.8	-172.6	74	0	0	123.7
263	N	30.8	Very low	30.6	Very low	109 Å²	109	146.3 Å²	146.3	58%	0.583	75%	0.753	S	S	*	*				86.2	129.5	120.4	-79.4	-39	0	0	0	123.8
264	H	31	Very low	30.5	Very low	161 Å²	161	142.8 Å²	142.8	75%	0.745	75%	0.75	S	S	*	*			trans	70.3	157.6	150.7	-57.3	-4.4	0	0	0	117.4
265	M	29.4	Very low	30.4	Very low	137 Å²	137	142.3 Å²	142.3	68%	0.675	75%	0.753	S	S	*	*			cis	178.6	158.7	-40.8	-111.5	-163.2	91.3	0	0	106
266	Y	32.1	Very low	30.7	Very low	193 Å²	193	142.2 Å²	142.2	76%	0.757	75%	0.754	S	S	*	*			trans	69.1	108.1	172.9	-67.3	-71.9	0	0	0	120.1
267	D	31.5	Very low	31.5	Very low	119 Å²	119	141.1 Å²	141.1	64%	0.636	76%	0.76	S	S	*	*				33.1	114.7	115.1	-175.6	44.1	0	0	0	119.1
268	R	29.6	Very low	31.7	Very low	233 Å²	233	144.1 Å²	144.1	88%	0.879	76%	0.764	S	S	*	*				-166.9	153.6	111.1	-105.6	174.7	-172.1	-167.4	1.8	118.4
269	V	30.4	Very low	31.7	Very low	127 Å²	127	149.1 Å²	149.1	77%	0.77	77%	0.768	S	S	*	*			trans	-59.5	146.5	178.4	167.5	0	0	0	0	115.9
270	A	33.4	Very low	31.9	Very low	100 Å²	100	156 Å²	156	83%	0.826	78%	0.782	S	S	*	*			trans	76.5	132.9	155	0	0	0	0	0	122.3
271	G	29.3	Very low	31.7	Very low	69 Å²	69	157 Å²	157	71%	0.711	78%	0.782	S	S	*	*				139.2	93.5	117.6	0	0	0	0	0	120.4
272	K	31.8	Very low	31.7	Very low	217 Å²	217	154.4 Å²	154.4	94%	0.943	79%	0.788	S	S	*	*			trans	58.2	137.2	145.6	-65.6	176.4	176.5	174.6	0	121.1
273	G	28.9	Very low	31.5	Very low	84 Å²	84	151.4 Å²	151.4	87%	0.866	78%	0.782	S	S	*	*			trans	90.5	147.7	166.1	0	0	0	0	0	113.6
274	G	29.9	Very low	31.5	Very low	65 Å²	65	153.7 Å²	153.7	67%	0.67	79%	0.794	S	S	*	*			cis	161.4	169.8	-4.1	0	0	0	0	0	112
275	T	31.4	Very low	31.4	Very low	147 Å²	147	154.1 Å²	154.1	90%	0.902	80%	0.795	S	S	*	*			trans	79.1	138.3	169.5	-38.9	0	0	0	0	117.1
276	Y	35.6	Very low	31.1	Very low	221 Å²	221	151.7 Å²	151.7	87%	0.867	79%	0.791	S	S	*	*			trans	-88.6	166.3	174.9	-65.1	-97	0	0	0	112
277	P	46.8	Very low	30.8	Very low	127 Å²	127	151 Å²	151	83%	0.825	79%	0.792	S	S	*	*			trans	-125.7	149.2	131.5	16	2.7	0	0	0	115.8
278	R	34.2	Very low	30.6	Very low	226 Å²	226	152.4 Å²	152.4	85%	0.853	80%	0.799	S	S	*	*			trans	-48.1	137.3	175.1	-66.8	-171	-71.9	-151.2	1.6	113.3
279	R	28	Very low	30.4	Very low	240 Å²	240	149.9 Å²	149.9	91%	0.906	80%	0.797	S	S	*	*				43.6	111.2	89.9	-71.1	-173.2	-178.7	-123	4.6	114.2
280	Y	31.1	Very low	30.3	Very low	237 Å²	237	149.2 Å²	149.2	93%	0.929	80%	0.798	S	S	*	*			trans	-94.8	160.4	147.8	-90.5	-87.7	0	0	0	110.5
281	H	28.1	Very low	30.2	Very low	152 Å²	152	152.5 Å²	152.5	70%	0.704	80%	0.796	S	S	*	*			trans	-145.2	122.5	-171.7	170.6	-75	0	0	0	109.4	S283	H281-S283 PolarHBondContact CE1-OG 3.39Å; H281-S283 PolarHBondContact NE2-OG 2.95Å
282	V	31.2	Very low	30.1	Very low	143 Å²	143	153 Å²	153	87%	0.867	80%	0.801	S	S	*	*			trans	-130.5	138	166.7	-177.5	0	0	0	0	108.6
283	S	27.8	Very low	30.2	Very low	73 Å²	73	152.8 Å²	152.8	51%	0.51	79%	0.794	S	S	.	*			trans	-140.1	162.7	-179.7	-69.5	0	0	0	0	106	H281	H281-S283 PolarHBondContact CE1-OG 3.39Å; H281-S283 PolarHBondContact NE2-OG 2.95Å
284	L	29.8	Very low	30.3	Very low	157 Å²	157	160.1 Å²	160.1	82%	0.822	80%	0.796	S	S	*	*			cis	-159.8	-163.4	6.2	-133.7	168.7	0	0	0	107.7
285	H	28.3	Very low	30.3	Very low	169 Å²	169	163.4 Å²	163.4	78%	0.782	80%	0.803	S	S	*	*			trans	77	145.8	160.1	-97.1	-126.5	0	0	0	118.9
286	C	23.5	Very low	30.2	Very low	86 Å²	86	165.7 Å²	165.7	58%	0.581	80%	0.801	S	S	*	*			cis	-176.3	138.6	-25.1	172.8	0	0	0	0	109.2
287	K	27	Very low	30.2	Very low	180 Å²	180	161.3 Å²	161.3	78%	0.783	80%	0.8	S	S	*	*				175.9	114.3	126.8	-99.8	173.1	179.4	180	0	113
288	D	25.6	Very low	29.4	Very low	148 Å²	148	166.3 Å²	166.3	79%	0.791	80%	0.802	S	S	*	*			trans	-72.6	154.7	156	-57.3	-78.3	0	0	0	110.8
289	H	27.2	Very low	29.2	Very low	180 Å²	180	163.1 Å²	163.1	83%	0.833	80%	0.8	S	S	*	*			trans	-138.5	142.1	155	-94.7	47.2	0	0	0	108.2
290	S	28.4	Very low	29.2	Very low	112 Å²	112	163 Å²	163	78%	0.783	80%	0.8	S	S	*	*			trans	-134.8	159.1	-168.4	56.4	0	0	0	0	113.8
291	E	30.3	Very low	29.3	Very low	170 Å²	170	163 Å²	163	79%	0.794	80%	0.798	S	S	*	*			trans	74	142.8	170.2	-65.5	-114.4	109.5	0	0	118.6
292	G	27.5	Very low	29.5	Very low	79 Å²	79	161.8 Å²	161.8	81%	0.814	80%	0.804	S	S	*	*			trans	166.7	64.7	-176.8	0	0	0	0	0	113.5
293	R	33	Very low	29.4	Very low	212 Å²	212	164.2 Å²	164.2	80%	0.8	81%	0.806	S	S	*	*			trans	-74.6	143	-179.5	-59.6	-179.4	-179.9	-147.3	0.6	112.7
294	R	31.9	Very low	29.5	Very low	238 Å²	238	164.1 Å²	164.1	90%	0.898	82%	0.816	S	S	*	*			trans	-176.3	123.4	131.2	-101.2	154.2	-163.3	-144.2	3.2	116
295	T	29.6	Very low	29.6	Very low	134 Å²	134	164.3 Å²	164.3	82%	0.822	82%	0.818	S	S	*	*			trans	50.8	132.3	141.5	50.6	0	0	0	0	123.7
296	F	29.7	Very low	29.7	Very low	196 Å²	196	163 Å²	163	86%	0.86	82%	0.816	S	S	*	*			trans	-71.9	167.6	167	-62.2	-89.8	0	0	0	113.9
297	P	34.9	Very low	30.1	Very low	129 Å²	129	168.8 Å²	168.8	84%	0.838	83%	0.832	S	S	*	*				-125.5	165.1	110.4	36.9	-33.7	0	0	0	114.6
298	R	31	Very low	30.5	Very low	232 Å²	232	165.1 Å²	165.1	88%	0.875	83%	0.825	S	S	*	*			trans	-95.1	151.5	173.5	-59.7	170.8	176.5	156.6	-3.4	110.2
299	I	29.4	Very low	30.9	Very low	159 Å²	159	165.4 Å²	165.4	82%	0.815	83%	0.825	S	S	*	*				-170.9	140.1	126.3	-101.2	156.8	0	0	0	114
300	R	28.4	Very low	31.3	Very low	236 Å²	236	162.1 Å²	162.1	89%	0.891	82%	0.817	S	S	*	*			trans	16	127.5	162.6	-59.6	176.8	175.8	168.9	-1.6	121.3
301	R	32.3	Very low	31.5	Very low	237 Å²	237	162.2 Å²	162.2	89%	0.894	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-95.5	146.6	152.8	-62.3	176.9	178	175.3	-1.9	110.1
302	P	32.2	Very low	31.3	Very low	128 Å²	128	159.3 Å²	159.3	83%	0.831	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-72.7	149.4	159.1	-6	23.3	0	0	0	110.4
303	Q	30.6	Very low	31.5	Very low	194 Å²	194	166.9 Å²	166.9	91%	0.907	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-96.4	125.8	171.5	-70.5	-172.3	-7.9	0	0	110.8
304	G	28.3	Very low	31.4	Very low	70 Å²	70	168.1 Å²	168.1	72%	0.722	82%	0.823	S	S	*	*			trans	-112.8	133.6	165.8	0	0	0	0	0	109.5	L306	G304-L306 PolarHBondContact O-N 3.38Å; G304-L306 VanDerWaalsContact O-N 3.12Å
305	N	32.2	Very low	31.3	Very low	161 Å²	161	161.9 Å²	161.9	86%	0.861	82%	0.816	S	S	*	*			trans	-65.1	111.1	-170.7	-71.7	-24.3	0	0	0	112.7
306	L	31.2	Very low	31.3	Very low	143 Å²	143	163.3 Å²	163.3	75%	0.749	82%	0.817	S	S	*	*			trans	-98.4	123.8	168.2	-174.5	68.7	0	0	0	108.9	G304 T308	G304-L306 PolarHBondContact O-N 3.38Å; G304-L306 VanDerWaalsContact O-N 3.12Å; L306-T308 HydrophobicContact CD2-CG2 4.35Å; L306-T308 PolarHBondContact O-N 3.16Å; L306-T308 VanDerWaalsContact O-N 3.15Å
307	F	31.5	Very low	31.3	Very low	207 Å²	207	162.2 Å²	162.2	91%	0.908	82%	0.82	S	S	*	*			trans	-74.4	102.8	172.9	-77.3	-87.8	0	0	0	109.6
308	T	34.8	Very low	30.9	Very low	103 Å²	103	159.4 Å²	159.4	63%	0.632	82%	0.815	S	S	*	*			trans	-89	127.6	179.2	43.8	0	0	0	0	112.2	L306	L306-T308 HydrophobicContact CD2-CG2 4.35Å; L306-T308 PolarHBondContact O-N 3.16Å; L306-T308 VanDerWaalsContact O-N 3.15Å
309	L	34.3	Very low	30.8	Very low	154 Å²	154	154 Å²	154	81%	0.806	81%	0.812	S	S	*	*			trans	-77.9	113.5	158.8	-71.6	168.6	0	0	0	107.8	L406	L309-L406 HydrophobicContact CD1-CD1 4.37Å
310	V	35.2	Very low	30.8	Very low	110 Å²	110	155.6 Å²	155.6	67%	0.667	82%	0.816	S	S	*	*			trans	-133.6	113.6	175.1	-168.1	0	0	0	0	109.8	S312	V310-S312 PolarHBondContact O-N 2.99Å
311	P	32.7	Very low	30.8	Very low	115 Å²	115	153.7 Å²	153.7	75%	0.747	82%	0.818	S	S	*	*			trans	-69.7	118	164.3	-15	30.3	0	0	0	109.2	R313	P311-R313 PolarHBondContact O-N 2.83Å; P311-R313 VanDerWaalsContact O-N 3.13Å
312	S	27.3	Very low	31	Very low	108 Å²	108	147.9 Å²	147.9	76%	0.755	81%	0.813	S	S	*	*			trans	-69.5	109.8	175.1	-174.5	0	0	0	0	110.3	V310	V310-S312 PolarHBondContact O-N 2.99Å
313	R	30.8	Very low	30.9	Very low	238 Å²	238	150.1 Å²	150.1	90%	0.898	82%	0.817	S	S	*	*			trans	-120.4	96.4	165.3	-77.2	-166.5	172.4	-151.3	-1.1	109.8	P311 S315	P311-R313 PolarHBondContact O-N 2.83Å; P311-R313 VanDerWaalsContact O-N 3.13Å; R313-S315 PolarHBondContact O-N 3.48Å
314	R	31.1	Very low	30.8	Very low	239 Å²	239	143.8 Å²	143.8	90%	0.902	80%	0.804	S	S	*	*			trans	-69.8	106.5	158.4	-69.5	-177.2	178.6	-179.3	-0.6	107.5
315	S	28.9	Very low	30.9	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	81%	0.808	S	S	*	*			trans	-102.9	122.3	159.9	-161.6	0	0	0	0	107.2	R313	R313-S315 PolarHBondContact O-N 3.48Å
316	L	30.4	Very low	30.8	Very low	164 Å²	164	150.1 Å²	150.1	86%	0.859	81%	0.812	S	S	*	*			trans	-85.3	128.8	174.1	-72.8	163.3	0	0	0	108.3	G318	L316-G318 VanDerWaalsContact C-N 3.33Å; L316-G318 PolarHBondContact O-N 2.89Å
317	N	29.6	Very low	30.9	Very low	172 Å²	172	151.1 Å²	151.1	92%	0.92	81%	0.813	S	S	*	*			trans	-73.5	92.6	163.8	-77	9.6	0	0	0	108
318	G	27.3	Very low	31	Very low	70 Å²	70	150.5 Å²	150.5	72%	0.722	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-82.8	140.6	158.8	0	0	0	0	0	109.5	L316	L316-G318 VanDerWaalsContact C-N 3.33Å; L316-G318 PolarHBondContact O-N 2.89Å
319	S	28.2	Very low	31	Very low	118 Å²	118	152.5 Å²	152.5	83%	0.825	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-68.3	155.6	177.6	45.9	0	0	0	0	112.5	E321	S319-E321 PolarHBondContact O-N 2.94Å
320	E	30.1	Very low	31.1	Very low	193 Å²	193	151.3 Å²	151.3	90%	0.902	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-65.5	127.4	172.3	-59.2	170.9	114.7	0	0	111
321	E	28.8	Very low	31.6	Very low	197 Å²	197	152.3 Å²	152.3	92%	0.921	82%	0.819	S	S	*	*			trans	-139.1	150.2	145.7	-79.1	-154.6	118.8	0	0	109.2	S319	S319-E321 PolarHBondContact O-N 2.94Å
322	S	36.1	Very low	32.5	Very low	114 Å²	114	155 Å²	155	80%	0.797	82%	0.821	S	S	*	*			trans	-95.4	130.4	-165.3	179.2	0	0	0	0	112.8
323	L	29.8	Very low	33.2	Very low	175 Å²	175	153.5 Å²	153.5	92%	0.916	82%	0.824	S	S	*	*			trans	-160.6	138.4	151.6	-139.6	70.7	0	0	0	114.1
324	G	28.9	Very low	33.5	Very low	61 Å²	61	153.5 Å²	153.5	63%	0.629	82%	0.823	S	S	*	*			trans	76.1	69.3	147.1	0	0	0	0	0	119.3
325	S	29	Very low	33.7	Very low	114 Å²	114	150.5 Å²	150.5	80%	0.797	83%	0.825	S	S	*	*			trans	-81.6	113.2	157.6	-173.6	0	0	0	0	110.2	Q327	S325-Q327 PolarHBondContact O-N 3.42Å
326	W	31.2	Very low	33.8	Very low	250 Å²	250	156.5 Å²	156.5	95%	0.947	83%	0.831	S	S	*	*			trans	-76.1	103.8	174.4	-74.4	101.5	0	0	0	110.7	Q328	W326-Q328 PolarHBondContact O-N 2.76Å
327	Q	33.4	Very low	34.2	Very low	164 Å²	164	154.5 Å²	154.5	77%	0.766	83%	0.828	S	S	*	*			trans	-75	106.1	174.7	-68.4	176.3	-25	0	0	110.3	S325 I329	S325-Q327 PolarHBondContact O-N 3.42Å; Q327-I329 PolarHBondContact O-N 2.7Å; Q327-I329 VanDerWaalsContact O-N 3.16Å
328	Q	33.7	Very low	34.6	Very low	194 Å²	194	154.8 Å²	154.8	91%	0.907	82%	0.823	S	S	*	*			trans	-77.9	97.6	169.3	-169.4	168.9	11.3	0	0	109.3	W326	W326-Q328 PolarHBondContact O-N 2.76Å
329	I	34.4	Very low	35.1	Very low	145 Å²	145	158.4 Å²	158.4	74%	0.744	83%	0.826	S	S	*	*			trans	-77.4	125	177.1	-62.4	172.2	0	0	0	109.1	Q327	Q327-I329 PolarHBondContact O-N 2.7Å; Q327-I329 VanDerWaalsContact O-N 3.16Å
330	D	35.6	Very low	35.6	Very low	129 Å²	129	163.5 Å²	163.5	69%	0.69	83%	0.827	S	S	*	*			trans	-96.6	147.6	167.8	-167.9	10.2	0	0	0	111	Q332 G333	D330-Q332 PolarHBondContact O-N 2.84Å; D330-G333 PolarHBondContact O-N 2.79Å
331	T	46.2	Very low	36	Very low	132 Å²	132	159.7 Å²	159.7	81%	0.81	82%	0.822	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	2.1	-161.1	55.4	0	0	0	0	116.1
332	Q	51.8	Low	36.7	Very low	170 Å²	170	155.8 Å²	155.8	79%	0.794	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	18.4	-177.5	-62.6	-165.5	-2.5	0	0	115.4	D330 R334	D330-Q332 PolarHBondContact O-N 2.84Å; Q332-R334 VanDerWaalsContact C-N 3.26Å; Q332-R334 PolarHBondContact O-N 2.87Å
333	G	42.3	Very low	37	Very low	78 Å²	78	154.3 Å²	154.3	80%	0.804	81%	0.806	S	S	*	*			trans	61.1	17.3	152.5	0	0	0	0	0	118.3	D330	D330-G333 PolarHBondContact O-N 2.79Å
334	R	37.1	Very low	37.9	Very low	237 Å²	237	154.5 Å²	154.5	89%	0.894	80%	0.802	S	S	*	*			trans	-104.9	114.4	177.4	-90.5	-170.6	170.6	-134.1	0	112.2	Q332 R336	Q332-R334 VanDerWaalsContact C-N 3.26Å; Q332-R334 PolarHBondContact O-N 2.87Å; R334-R336 PolarHBondContact O-N 2.77Å
335	L	34.4	Very low	39.7	Very low	177 Å²	177	161 Å²	161	93%	0.927	81%	0.813	S	S	*	*			trans	-64.5	115.9	166.5	-63.4	171.8	0	0	0	109.9
336	R	32.5	Very low	41.9	Very low	232 Å²	232	158.8 Å²	158.8	88%	0.875	80%	0.798	S	S	*	*			trans	-70.5	141	158.4	-91	-169.2	170.8	-154.8	-1.1	108.7	R334 H338	R334-R336 PolarHBondContact O-N 2.77Å; R336-H338 PolarHBondContact O-N 2.84Å
337	P	38.2	Very low	44.5	Very low	122 Å²	122	148 Å²	148	79%	0.792	76%	0.76	S	S	*	*			trans	-55.5	125.8	161.9	-20.4	32.5	0	0	0	108.4	D339	P337-D339 PolarHBondContact O-N 3.48Å; P337-D339 VanDerWaalsContact O-N 3.11Å
338	H	37.8	Very low	47.2	Very low	178 Å²	178	144.2 Å²	144.2	82%	0.824	75%	0.751	S	S	*	*			trans	-66.7	114.1	174.9	-158.2	-51.9	0	0	0	107.5	R336 R340	R336-H338 PolarHBondContact O-N 2.84Å; H338-R340 PolarHBondContact O-N 2.9Å; H338-R340 VanDerWaalsContact O-N 3.15Å
339	D	37	Very low	50	Low	147 Å²	147	135.8 Å²	135.8	79%	0.786	72%	0.715	S	S	*	*			trans	-60.8	124.2	-178.7	-152.8	-13.5	0	0	0	108.1	P337 S341	P337-D339 PolarHBondContact O-N 3.48Å; P337-D339 VanDerWaalsContact O-N 3.11Å; D339-S341 PolarHBondContact O-N 2.88Å; D339-S341 VanDerWaalsContact O-N 3.07Å
340	R	39.6	Very low	52.8	Low	224 Å²	224	129 Å²	129	85%	0.845	68%	0.68	S	S	*	*			trans	-79.4	101.9	-172.1	-84.9	-172.4	171	-171.6	-2.3	107.1	H338 V342	H338-R340 PolarHBondContact O-N 2.9Å; H338-R340 VanDerWaalsContact O-N 3.15Å; R340-V342 PolarHBondContact O-N 3.46Å
341	S	38.7	Very low	55.4	Low	113 Å²	113	128.9 Å²	128.9	79%	0.79	68%	0.684	S	S	*	*			trans	-41.3	101.9	170.7	-177.9	0	0	0	0	110	D339 A343	D339-S341 PolarHBondContact O-N 2.88Å; D339-S341 VanDerWaalsContact O-N 3.07Å; S341-A343 PolarHBondContact O-N 3.38Å
342	V	42.9	Very low	57.7	Low	115 Å²	115	125.8 Å²	125.8	70%	0.697	67%	0.665	S	S	*	*			trans	-69.7	108.7	176.9	175.2	0	0	0	0	105	R340 H344	R340-V342 PolarHBondContact O-N 3.46Å; V342-H344 PolarHBondContact O-N 2.87Å
343	A	42.4	Very low	59.8	Low	84 Å²	84	121.1 Å²	121.1	69%	0.694	64%	0.64	S	S	*	*			trans	-52.7	106.4	178.2	0	0	0	0	0	108.6	S341 K345	S341-A343 PolarHBondContact O-N 3.38Å; A343-K345 VanDerWaalsContact C-N 3.34Å; A343-K345 PolarHBondContact O-N 3.3Å
344	H	49	Very low	62.3	Low	178 Å²	178	125.4 Å²	125.4	82%	0.824	63%	0.632	S	S	*	*			trans	-64.2	96.4	-174.9	-72.1	-75.8	0	0	0	108.4	V342 S346	V342-H344 PolarHBondContact O-N 2.87Å; H344-S346 PolarHBondContact O-N 3.43Å
345	K	66.6	Low	65.2	Low	197 Å²	197	121.2 Å²	121.2	86%	0.857	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-56.2	125.2	169.1	-65.3	-178.6	179.2	-179.6	0	106.9	A343	A343-K345 VanDerWaalsContact C-N 3.34Å; A343-K345 PolarHBondContact O-N 3.3Å
346	S	74.5	Confident	68.1	Low	69 Å²	69	114.6 Å²	114.6	48%	0.483	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-50	145.2	171.5	-56.7	0	0	0	0	109.6	H344 N409	H344-S346 PolarHBondContact O-N 3.43Å; S346-N409 PolarHBondContact OG-OD1 3.06Å
347	P	86.4	Confident	71.2	Confident	23 Å²	23	109.7 Å²	109.7	15%	0.149	58%	0.576	C	S	.	*	P	Polyproline II helix	trans	-51.6	148	177	-26	33.2	0	0	0	112.7	K408 Q417 Y419	P347-K408 HydrophobicContact CB-CG 4.3Å; P347-K408 WeakPolarHBondContact O-CD 3.35Å; P347-K408 WeakPolarHBondContact O-CE 3.43Å; P347-K408 PolarHBondContact O-NZ 3.14Å; P347-K408 VanDerWaalsContact O-NZ 3.1Å; P347-Q417 HydrophobicContact CG-CG 4.37Å; P347-Y419 HydrophobicContact CB-CD1 3.59Å; P347-Y419 HydrophobicContact CB-CE1 3.78Å; P347-Y419 HydrophobicContact CB-CG 4.41Å; P347-Y419 HydrophobicContact CG-CE1 4.4Å
348	S	90	Very high	74	Confident	84 Å²	84	107.9 Å²	107.9	59%	0.587	56%	0.559	S	S	*	*			trans	-120.8	149.8	172.9	52.6	0	0	0	0	110.2	Y419	S348-Y419 CarbonylContact C-O 3.55Å; S348-Y419 WeakPolarHBondContact CA-O 3.5Å
349	A	92.1	Very high	76.6	Confident	17 Å²	17	102.6 Å²	102.6	14%	0.14	54%	0.537	C	S	.	.			trans	-64.3	146.9	163.8	0	0	0	0	0	108	Y419 L422 F433	A349-Y419 PolarHBondContact N-O 2.82Å; A349-L422 HydrophobicContact CB-CG 4.49Å; A349-F433 HydrophobicContact CB-CD2 3.76Å; A349-F433 HydrophobicContact CB-CE2 4.29Å; A349-F433 HydrophobicContact CB-CG 4.33Å
350	P	93.2	Very high	79.1	Confident	4 Å²	4	97 Å²	97	3%	0.026	51%	0.514	C	S	.	.			trans	-63.6	141.7	174.8	30.9	-37	0	0	0	109.4	W353 D372 L379 F433	P350-W353 HydrophobicContact CB-CB 3.96Å; P350-W353 HydrophobicContact CG-CB 3.73Å; P350-W353 HydrophobicContact CG-CG 4.19Å; P350-D372 HydrophobicContact CB-CB 3.9Å; P350-L379 HydrophobicContact CG-CD1 4.06Å; P350-F433 HydrophobicContact CG-CD1 3.66Å; P350-F433 HydrophobicContact CG-CE1 3.65Å; P350-F433 HydrophobicContact CG-CG 4.25Å; P350-F433 HydrophobicContact CG-CZ 4.24Å
351	V	90.3	Very high	81.4	Confident	125 Å²	125	93.1 Å²	93.1	76%	0.758	51%	0.505	S	S	*	.	S	Bend	trans	-85.7	-51.9	175.9	-179.2	0	0	0	0	108.2	D374	V351-D374 PolarHBondContact N-OD2 3.49Å
352	T	93.9	Very high	83.2	Confident	68 Å²	68	90 Å²	90	42%	0.417	49%	0.492	S	S	.	.	S	Bend	trans	-97.1	109.6	173.2	-38.9	0	0	0	0	109.2	V373 D374	T352-V373 HydrophobicContact CG2-CB 3.8Å; T352-V373 HydrophobicContact CG2-CG1 4.09Å; T352-V373 HydrophobicContact CG2-CG2 4.16Å; T352-V373 WeakPolarHBondContact O-CB 3.48Å; T352-V373 PolarHBondContact O-N 2.81Å; T352-D374 WeakPolarHBondContact CB-OD1 3.25Å; T352-D374 PolarHBondContact N-OD2 3.43Å; T352-D374 PolarHBondContact OG1-OD1 3.5Å; T352-D374 PolarHBondContact OG1-OD2 3.09Å
353	W	95.9	Very high	84.6	Confident	71 Å²	71	87.3 Å²	87.3	27%	0.269	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	156.6	-179.3	70	-80.7	0	0	0	112.8	P350 R355 C370 Y371 A381 T431 F433	P350-W353 HydrophobicContact CB-CB 3.96Å; P350-W353 HydrophobicContact CG-CB 3.73Å; P350-W353 HydrophobicContact CG-CG 4.19Å; W353-R355 HydrophobicContact CZ3-CB 3.82Å; W353-R355 HydrophobicContact CZ3-CG 4.44Å; W353-C370 HydrophobicContact CE3-CB 4.45Å; W353-Y371 CarbonylContact C-O 3.44Å; W353-Y371 WeakPolarHBondContact CA-O 3.42Å; W353-A381 HydrophobicContact CZ3-CB 4.28Å; W353-T431 HydrophobicContact CH2-CG2 4.11Å; W353-T431 HydrophobicContact CZ2-CG2 4.24Å; W353-F433 AromaticContact CD1-CZ 4Å; W353-F433 AromaticContact CD2-CE1 3.75Å; W353-F433 HydrophobicContact CD2-CE1 3.75Å; W353-F433 AromaticContact CD2-CZ 3.86Å; W353-F433 HydrophobicContact CD2-CZ 3.86Å; W353-F433 AromaticContact CE2-CZ 3.65Å; W353-F433 HydrophobicContact CE3-CE1 4.01Å; W353-F433 HydrophobicContact CE3-CZ 4.43Å; W353-F433 AromaticContact CG-CE1 3.98Å; W353-F433 HydrophobicContact CG-CE1 3.98Å; W353-F433 HydrophobicContact CG-CZ 4.11Å; W353-F433 HydrophobicContact CZ2-CZ 4.08Å; W353-F433 AromaticContact NE1-CZ 3.74Å
354	R	96.4	Very high	86.3	Confident	168 Å²	168	84.7 Å²	84.7	63%	0.634	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.5	179.1	-68	168.5	65.4	-154.6	0.7	110.2	Y371 V373	R354-Y371 PolarHBondContact N-O 2.94Å; R354-Y371 PolarHBondContact O-N 3.18Å; R354-V373 HydrophobicContact CG-CG2 3.76Å
355	R	96.6	Very high	88.1	Confident	149 Å²	149	77.3 Å²	77.3	56%	0.562	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	126.1	172.8	-169.3	169.2	66.4	179	-1.8	110.2	W353 Y368 Q383	W353-R355 HydrophobicContact CZ3-CB 3.82Å; W353-R355 HydrophobicContact CZ3-CG 4.44Å; R355-Y368 HydrophobicContact CG-CD1 3.79Å; R355-Y368 HydrophobicContact CG-CD2 4.33Å; R355-Y368 HydrophobicContact CG-CE1 4.46Å; R355-Y368 HydrophobicContact CG-CG 3.71Å; R355-Q383 VanDerWaalsContact CD-OE1 3.25Å
356	G	96.8	Very high	89.4	Confident	39 Å²	39	70.7 Å²	70.7	40%	0.402	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-151.4	175	0	0	0	0	0	112.5	L369	G356-L369 WeakPolarHBondContact CA-O 3.46Å; G356-L369 PolarHBondContact N-O 2.93Å
357	K	96.7	Very high	90.4	Very high	129 Å²	129	69 Å²	69	56%	0.561	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	149.2	179.7	67.7	-176.3	-179.6	-173.3	0	112.6	L359 Y368 L369	K357-L359 HydrophobicContact CG-CD2 4.24Å; K357-L359 PolarHBondContact O-N 3.42Å; K357-Y368 WeakPolarHBondContact O-CA 3.44Å; K357-L369 HydrophobicContact CG-CB 4.01Å; K357-L369 HydrophobicContact CG-CD2 4.17Å; K357-L369 PolarHBondContact O-N 2.81Å
358	L	96.7	Very high	90.9	Very high	83 Å²	83	69.4 Å²	69.4	44%	0.435	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	132.5	165.4	-172.6	71.7	0	0	0	108.9	G360 Q366 Y368	L358-G360 WeakPolarHBondContact CD1-O 3.21Å; L358-Q366 HydrophobicContact CD1-CB 3.9Å; L358-Q366 HydrophobicContact CD1-CG 4.19Å; L358-Y368 HydrophobicContact CB-CD1 4.2Å; L358-Y368 HydrophobicContact CB-CE1 4.1Å; L358-Y368 HydrophobicContact CD1-CD1 4.02Å; L358-Y368 HydrophobicContact CD1-CD2 4.46Å; L358-Y368 HydrophobicContact CD1-CE1 3.69Å; L358-Y368 HydrophobicContact CD1-CE2 4.17Å; L358-Y368 HydrophobicContact CD1-CG 4.39Å
359	L	94	Very high	91.3	Very high	67 Å²	67	66.4 Å²	66.4	35%	0.351	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-32.4	175	-64	174.9	0	0	0	111.6	K357 V367 L369 A380 Y436	K357-L359 HydrophobicContact CG-CD2 4.24Å; K357-L359 PolarHBondContact O-N 3.42Å; L359-V367 WeakPolarHBondContact CA-O 3.38Å; L359-V367 HydrophobicContact CB-CG1 4.42Å; L359-V367 WeakPolarHBondContact CB-O 3.28Å; L359-V367 HydrophobicContact CD1-CG1 4.43Å; L359-V367 PolarHBondContact N-O 3.01Å; L359-L369 HydrophobicContact CD1-CB 4.19Å; L359-L369 HydrophobicContact CD2-CB 4.28Å; L359-L369 HydrophobicContact CG-CB 4.2Å; L359-A380 HydrophobicContact CD1-CB 4.3Å; L359-Y436 HydrophobicContact CD1-CD2 3.73Å; L359-Y436 HydrophobicContact CD1-CE2 3.59Å; L359-Y436 HydrophobicContact CD2-CE2 3.8Å; L359-Y436 HydrophobicContact CG-CE2 4.36Å
360	G	89	Confident	91.5	Very high	31 Å²	31	65.6 Å²	65.6	32%	0.32	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	163.5	176.7	0	0	0	0	0	113	L358 V367	L358-G360 WeakPolarHBondContact CD1-O 3.21Å; G360-V367 PolarHBondContact N-O 3.18Å; G360-V367 PolarHBondContact O-N 2.88Å
361	Q	87.8	Confident	91.7	Very high	141 Å²	141	70.1 Å²	70.1	66%	0.659	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	141.7	177.9	176.6	168.1	-17.1	0	0	109.8	Q366	Q361-Q366 HydrophobicContact CB-CG 4.05Å; Q361-Q366 HydrophobicContact CG-CG 3.72Å
362	G	76.6	Confident	92	Very high	49 Å²	49	64.8 Å²	64.8	51%	0.505	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	-169.1	178.5	0	0	0	0	0	112.9	F364 G365	G362-F364 PolarHBondContact O-N 2.97Å; G362-G365 PolarHBondContact N-O 3.12Å; G362-G365 PolarHBondContact O-N 3.07Å
363	A	72.3	Confident	92	Very high	58 Å²	58	64.7 Å²	64.7	48%	0.479	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.2	-177.4	0	0	0	0	0	114.6	C509 T519	A363-C509 WeakPolarHBondContact O-CB 3.48Å; A363-T519 HydrophobicContact CB-CG2 4.24Å
364	F	78.4	Confident	91.8	Very high	29 Å²	29	65.7 Å²	65.7	13%	0.127	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	30.1	179.5	-50.2	-41.7	0	0	0	112.5	G362 K382 L505 Q506	G362-F364 PolarHBondContact O-N 2.97Å; F364-K382 WeakPolarHBondContact O-CE 3.37Å; F364-L505 HydrophobicContact CB-CB 4.22Å; F364-L505 HydrophobicContact CD1-CB 4.13Å; F364-L505 HydrophobicContact CG-CB 4.18Å; F364-Q506 HydrophobicContact CE1-CB 3.73Å; F364-Q506 HydrophobicContact CE1-CG 4.18Å; F364-Q506 HydrophobicContact CZ-CB 4.41Å
365	G	86.5	Confident	91.6	Very high	23 Å²	23	62.3 Å²	62.3	24%	0.237	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	95.9	-158.1	177.6	0	0	0	0	0	114.9	G362 Q383	G362-G365 PolarHBondContact N-O 3.12Å; G362-G365 PolarHBondContact O-N 3.07Å; G365-Q383 WeakPolarHBondContact CA-O 3.42Å
366	Q	92.7	Very high	91.4	Very high	57 Å²	57	57 Å²	57	27%	0.266	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.1	-174.7	-75	170.1	-42.5	0	0	110.5	L358 Q361 Y368 K382 Q383	L358-Q366 HydrophobicContact CD1-CB 3.9Å; L358-Q366 HydrophobicContact CD1-CG 4.19Å; Q361-Q366 HydrophobicContact CB-CG 4.05Å; Q361-Q366 HydrophobicContact CG-CG 3.72Å; Q366-Y368 HydrophobicContact CB-CD2 4.36Å; Q366-Y368 HydrophobicContact CB-CE2 3.61Å; Q366-Y368 PolarHBondContact OE1-OH 2.97Å; Q366-K382 CarbonylContact O-C 3.55Å; Q366-K382 WeakPolarHBondContact O-CA 3.43Å; Q366-Q383 PolarHBondContact N-O 2.92Å; Q366-Q383 PolarHBondContact O-N 3.14Å
367	V	95.4	Very high	91.3	Very high	34 Å²	34	59.4 Å²	59.4	21%	0.206	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.1	177.7	-173.2	0	0	0	0	108.7	L359 G360 A380 K382	L359-V367 WeakPolarHBondContact CA-O 3.38Å; L359-V367 HydrophobicContact CB-CG1 4.42Å; L359-V367 WeakPolarHBondContact CB-O 3.28Å; L359-V367 HydrophobicContact CD1-CG1 4.43Å; L359-V367 PolarHBondContact N-O 3.01Å; G360-V367 PolarHBondContact N-O 3.18Å; G360-V367 PolarHBondContact O-N 2.88Å; V367-A380 HydrophobicContact CG1-CB 4.09Å; V367-K382 HydrophobicContact CG2-CB 4.08Å; V367-K382 HydrophobicContact CG2-CD 4.15Å; V367-K382 HydrophobicContact CG2-CG 3.96Å
368	Y	97.4	Very high	91.3	Very high	32 Å²	32	57.9 Å²	57.9	13%	0.125	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	154.4	177.2	-63.8	-92.3	0	0	0	111.1	R355 K357 L358 Q366 A380 A381 Q383	R355-Y368 HydrophobicContact CG-CD1 3.79Å; R355-Y368 HydrophobicContact CG-CD2 4.33Å; R355-Y368 HydrophobicContact CG-CE1 4.46Å; R355-Y368 HydrophobicContact CG-CG 3.71Å; K357-Y368 WeakPolarHBondContact O-CA 3.44Å; L358-Y368 HydrophobicContact CB-CD1 4.2Å; L358-Y368 HydrophobicContact CB-CE1 4.1Å; L358-Y368 HydrophobicContact CD1-CD1 4.02Å; L358-Y368 HydrophobicContact CD1-CD2 4.46Å; L358-Y368 HydrophobicContact CD1-CE1 3.69Å; L358-Y368 HydrophobicContact CD1-CE2 4.17Å; L358-Y368 HydrophobicContact CD1-CG 4.39Å; Q366-Y368 HydrophobicContact CB-CD2 4.36Å; Q366-Y368 HydrophobicContact CB-CE2 3.61Å; Q366-Y368 PolarHBondContact OE1-OH 2.97Å; Y368-A380 CarbonylContact O-C 3.06Å; Y368-A380 WeakPolarHBondContact O-CA 3.38Å; Y368-A381 PolarHBondContact N-O 3.34Å; Y368-A381 PolarHBondContact O-N 2.67Å; Y368-Q383 HydrophobicContact CD2-CG 4.05Å; Y368-Q383 HydrophobicContact CE2-CB 4.45Å; Y368-Q383 HydrophobicContact CE2-CG 4.28Å
369	L	97.7	Very high	91.3	Very high	21 Å²	21	54 Å²	54	11%	0.11	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	142.1	158.9	-174.6	64.4	0	0	0	108.3	G356 K357 L359 E378 Y436	G356-L369 WeakPolarHBondContact CA-O 3.46Å; G356-L369 PolarHBondContact N-O 2.93Å; K357-L369 HydrophobicContact CG-CB 4.01Å; K357-L369 HydrophobicContact CG-CD2 4.17Å; K357-L369 PolarHBondContact O-N 2.81Å; L359-L369 HydrophobicContact CD1-CB 4.19Å; L359-L369 HydrophobicContact CD2-CB 4.28Å; L359-L369 HydrophobicContact CG-CB 4.2Å; L369-E378 HydrophobicContact CD1-CB 4.16Å; L369-E378 HydrophobicContact CD1-CG 4.39Å; L369-Y436 HydrophobicContact CD1-CD1 3.61Å; L369-Y436 HydrophobicContact CD1-CD2 4.14Å; L369-Y436 HydrophobicContact CD1-CE1 3.65Å; L369-Y436 HydrophobicContact CD1-CE2 4.22Å; L369-Y436 HydrophobicContact CD1-CG 3.88Å
370	C	97.3	Very high	91.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	126.8	-179.1	170.3	0	0	0	0	108.7	W353 E378 L379 A381	W353-C370 HydrophobicContact CE3-CB 4.45Å; C370-E378 CarbonylContact O-C 3.54Å; C370-E378 WeakPolarHBondContact O-CA 3.29Å; C370-L379 HydrophobicContact CB-CB 4.09Å; C370-L379 WeakPolarHBondContact CB-O 3.46Å; C370-L379 PolarHBondContact N-O 3.44Å; C370-L379 PolarHBondContact O-N 2.96Å; C370-A381 HydrophobicContact CB-CB 3.74Å
371	Y	97.1	Very high	91.8	Very high	99 Å²	99	49.7 Å²	49.7	39%	0.388	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113.4	171	-176	-94	0	0	0	109	W353 R354 V373 G376	W353-Y371 CarbonylContact C-O 3.44Å; W353-Y371 WeakPolarHBondContact CA-O 3.42Å; R354-Y371 PolarHBondContact N-O 2.94Å; R354-Y371 PolarHBondContact O-N 3.18Å; Y371-V373 HydrophobicContact CD1-CG2 3.97Å; Y371-V373 HydrophobicContact CE1-CG2 4.3Å; Y371-V373 PolarHBondContact O-N 2.76Å; Y371-G376 WeakPolarHBondContact CE2-O 3.33Å; Y371-G376 WeakPolarHBondContact OH-CA 3.18Å
372	D	95.9	Very high	92.2	Very high	13 Å²	13	43.2 Å²	43.2	7%	0.07	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	115.6	168.1	178	-15.3	0	0	0	108.3	P350 D374 T375 G376 R377 L379	P350-D372 HydrophobicContact CB-CB 3.9Å; D372-D374 WeakPolarHBondContact OD1-CA 3.41Å; D372-D374 WeakPolarHBondContact OD1-CB 3.48Å; D372-D374 PolarHBondContact OD1-N 2.86Å; D372-T375 PolarHBondContact OD1-N 2.93Å; D372-T375 WeakPolarHBondContact OD2-CB 3.38Å; D372-T375 WeakPolarHBondContact OD2-CG2 3.45Å; D372-T375 PolarHBondContact OD2-OG1 3.33Å; D372-G376 CarbonylContact O-C 3.39Å; D372-G376 WeakPolarHBondContact O-CA 3.46Å; D372-G376 PolarHBondContact O-N 3.39Å; D372-R377 HydrophobicContact CB-CB 4.42Å; D372-R377 WeakPolarHBondContact CB-O 3.37Å; D372-R377 PolarHBondContact N-O 2.82Å; D372-R377 PolarHBondContact O-N 3.01Å; D372-L379 HydrophobicContact CB-CD1 4.33Å
373	V	95	Very high	93.1	Very high	66 Å²	66	42.3 Å²	42.3	40%	0.4	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-26.3	-177.8	-177.6	0	0	0	0	111.1	T352 R354 Y371	T352-V373 HydrophobicContact CG2-CB 3.8Å; T352-V373 HydrophobicContact CG2-CG1 4.09Å; T352-V373 HydrophobicContact CG2-CG2 4.16Å; T352-V373 WeakPolarHBondContact O-CB 3.48Å; T352-V373 PolarHBondContact O-N 2.81Å; R354-V373 HydrophobicContact CG-CG2 3.76Å; Y371-V373 HydrophobicContact CD1-CG2 3.97Å; Y371-V373 HydrophobicContact CE1-CG2 4.3Å; Y371-V373 PolarHBondContact O-N 2.76Å
374	D	91.5	Very high	94	Very high	91 Å²	91	39.6 Å²	39.6	49%	0.487	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-33.2	-178.5	-53.5	-46.4	0	0	0	111.4	V351 T352 D372	V351-D374 PolarHBondContact N-OD2 3.49Å; T352-D374 WeakPolarHBondContact CB-OD1 3.25Å; T352-D374 PolarHBondContact N-OD2 3.43Å; T352-D374 PolarHBondContact OG1-OD1 3.5Å; T352-D374 PolarHBondContact OG1-OD2 3.09Å; D372-D374 WeakPolarHBondContact OD1-CA 3.41Å; D372-D374 WeakPolarHBondContact OD1-CB 3.48Å; D372-D374 PolarHBondContact OD1-N 2.86Å
375	T	92.5	Very high	94.6	Very high	97 Å²	97	45.3 Å²	45.3	60%	0.595	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112	-8.6	179.3	74.7	0	0	0	0	115.1	D372 R377	D372-T375 PolarHBondContact OD1-N 2.93Å; D372-T375 WeakPolarHBondContact OD2-CB 3.38Å; D372-T375 WeakPolarHBondContact OD2-CG2 3.45Å; D372-T375 PolarHBondContact OD2-OG1 3.33Å; T375-R377 VanDerWaalsContact C-N 3.28Å; T375-R377 PolarHBondContact O-N 2.88Å; T375-R377 WeakPolarHBondContact OG1-CB 3.27Å
376	G	92.6	Very high	94.6	Very high	39 Å²	39	44.6 Å²	44.6	40%	0.402	23%	0.229	S	C	.	.			trans	73.2	15.2	-177.9	0	0	0	0	0	114.7	Y371 D372	Y371-G376 WeakPolarHBondContact CE2-O 3.33Å; Y371-G376 WeakPolarHBondContact OH-CA 3.18Å; D372-G376 CarbonylContact O-C 3.39Å; D372-G376 WeakPolarHBondContact O-CA 3.46Å; D372-G376 PolarHBondContact O-N 3.39Å
377	R	93.7	Very high	94.4	Very high	88 Å²	88	44.2 Å²	44.2	33%	0.332	23%	0.229	S	C	.	.			trans	-99.6	146.2	-168.9	174.5	174.1	174.1	-166.6	0.6	113.5	D372 T375 L379 Y419	D372-R377 HydrophobicContact CB-CB 4.42Å; D372-R377 WeakPolarHBondContact CB-O 3.37Å; D372-R377 PolarHBondContact N-O 2.82Å; D372-R377 PolarHBondContact O-N 3.01Å; T375-R377 VanDerWaalsContact C-N 3.28Å; T375-R377 PolarHBondContact O-N 2.88Å; T375-R377 WeakPolarHBondContact OG1-CB 3.27Å; R377-L379 HydrophobicContact CG-CD2 4.38Å; R377-L379 HydrophobicContact CG-CG 4.49Å; R377-Y419 PolarHBondContact NH1-OH 3.19Å; R377-Y419 PolarHBondContact NH2-OH 2.77Å
378	E	96.6	Very high	93.8	Very high	98 Å²	98	43.7 Å²	43.7	46%	0.458	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.3	164.1	-62.3	-165.7	137.8	0	0	113.4	L369 C370 Y436	L369-E378 HydrophobicContact CD1-CB 4.16Å; L369-E378 HydrophobicContact CD1-CG 4.39Å; C370-E378 CarbonylContact O-C 3.54Å; C370-E378 WeakPolarHBondContact O-CA 3.29Å; E378-Y436 HydrophobicContact CB-CD1 4Å
379	L	97.2	Very high	93.4	Very high	2 Å²	2	48 Å²	48	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	167.7	176.8	-64.3	176.5	0	0	0	109.3	P350 C370 D372 R377 Y419	P350-L379 HydrophobicContact CG-CD1 4.06Å; C370-L379 HydrophobicContact CB-CB 4.09Å; C370-L379 WeakPolarHBondContact CB-O 3.46Å; C370-L379 PolarHBondContact N-O 3.44Å; C370-L379 PolarHBondContact O-N 2.96Å; D372-L379 HydrophobicContact CB-CD1 4.33Å; R377-L379 HydrophobicContact CG-CD2 4.38Å; R377-L379 HydrophobicContact CG-CG 4.49Å; L379-Y419 HydrophobicContact CD2-CD2 3.76Å; L379-Y419 HydrophobicContact CD2-CE2 3.83Å; L379-Y419 HydrophobicContact CD2-CG 4.23Å
380	A	97.5	Very high	92.9	Very high	7 Å²	7	48.1 Å²	48.1	6%	0.058	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.4	165.3	0	0	0	0	0	109.9	L359 V367 Y368 F433 M434	L359-A380 HydrophobicContact CD1-CB 4.3Å; V367-A380 HydrophobicContact CG1-CB 4.09Å; Y368-A380 CarbonylContact O-C 3.06Å; Y368-A380 WeakPolarHBondContact O-CA 3.38Å; A380-F433 WeakPolarHBondContact O-CA 3.41Å; A380-M434 HydrophobicContact CB-CG 3.79Å; A380-M434 PolarHBondContact N-O 3.04Å; A380-M434 PolarHBondContact O-N 2.69Å
381	A	97.1	Very high	92.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	106.4	177.9	0	0	0	0	0	109.6	W353 Y368 C370 T431 I432 F433	W353-A381 HydrophobicContact CZ3-CB 4.28Å; Y368-A381 PolarHBondContact N-O 3.34Å; Y368-A381 PolarHBondContact O-N 2.67Å; C370-A381 HydrophobicContact CB-CB 3.74Å; A381-T431 HydrophobicContact CB-CG2 3.81Å; A381-I432 WeakPolarHBondContact CA-O 3.39Å; A381-F433 HydrophobicContact CB-CD1 4.22Å; A381-F433 HydrophobicContact CB-CE1 4.12Å
382	K	95.6	Very high	91.8	Very high	5 Å²	5	53.5 Å²	53.5	2%	0.022	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	107.5	176.1	-179.2	166.6	179.8	175.9	0	109.5	F364 Q366 V367 V384 T431 I432 M434 D498	F364-K382 WeakPolarHBondContact O-CE 3.37Å; Q366-K382 CarbonylContact O-C 3.55Å; Q366-K382 WeakPolarHBondContact O-CA 3.43Å; V367-K382 HydrophobicContact CG2-CB 4.08Å; V367-K382 HydrophobicContact CG2-CD 4.15Å; V367-K382 HydrophobicContact CG2-CG 3.96Å; K382-V384 HydrophobicContact CG-CG2 4.32Å; K382-T431 WeakPolarHBondContact O-CA 3.44Å; K382-I432 HydrophobicContact CB-CB 4.43Å; K382-I432 PolarHBondContact N-O 2.67Å; K382-I432 PolarHBondContact O-N 3.33Å; K382-M434 HydrophobicContact CB-CE 3.68Å; K382-M434 HydrophobicContact CD-CE 4.07Å; K382-D498 IonicContact NZ-OD1 3.11Å; K382-D498 PolarHBondContact NZ-OD1 3.11Å; K382-D498 IonicContact NZ-OD2 2.67Å; K382-D498 PolarHBondContact NZ-OD2 3.34Å
383	Q	94.8	Very high	91.4	Very high	29 Å²	29	52.9 Å²	52.9	14%	0.136	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.5	-179.8	-58.4	-156.7	-76.3	0	0	110.3	R355 G365 Q366 Y368 T429 L430 T431	R355-Q383 VanDerWaalsContact CD-OE1 3.25Å; G365-Q383 WeakPolarHBondContact CA-O 3.42Å; Q366-Q383 PolarHBondContact N-O 2.92Å; Q366-Q383 PolarHBondContact O-N 3.14Å; Y368-Q383 HydrophobicContact CD2-CG 4.05Å; Y368-Q383 HydrophobicContact CE2-CB 4.45Å; Y368-Q383 HydrophobicContact CE2-CG 4.28Å; Q383-T429 HydrophobicContact CB-CG2 3.87Å; Q383-T429 HydrophobicContact CG-CG2 4.36Å; Q383-L430 WeakPolarHBondContact CA-O 3.28Å; Q383-T431 HydrophobicContact CG-CG2 4.09Å; Q383-T431 PolarHBondContact NE2-OG1 3.04Å
384	V	91.5	Very high	91.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	112.7	-175.7	-171.8	0	0	0	0	107.6	K382 T429 L430 L505 I508	K382-V384 HydrophobicContact CG-CG2 4.32Å; V384-T429 WeakPolarHBondContact O-CA 3.46Å; V384-L430 HydrophobicContact CB-CB 4.48Å; V384-L430 PolarHBondContact N-O 3.01Å; V384-L430 PolarHBondContact O-N 2.89Å; V384-L505 HydrophobicContact CB-CD2 4.48Å; V384-L505 HydrophobicContact CG1-CD2 4.15Å; V384-L505 HydrophobicContact CG2-CD2 3.65Å; V384-I508 HydrophobicContact CG1-CG2 4.19Å
385	Q	90.3	Very high	91	Very high	150 Å²	150	53.5 Å²	53.5	70%	0.701	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.2	173.1	-71.4	177	-16.5	0	0	110.1	K428	Q385-K428 WeakPolarHBondContact CA-O 3.14Å
386	F	88.1	Confident	90.8	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.035	27%	0.267	C	S	.	.			trans	-144	149.1	177.7	76.2	-83.2	0	0	0	109.3	P388 T393 V397 R423 K428 T429 L430 I508	F386-P388 HydrophobicContact CD2-CB 4.45Å; F386-P388 HydrophobicContact CE2-CB 3.73Å; F386-P388 HydrophobicContact CZ-CB 4.37Å; F386-P388 VanDerWaalsContact O-CD 3.31Å; F386-P388 WeakPolarHBondContact O-CD 3.27Å; F386-T393 HydrophobicContact CB-CG2 3.99Å; F386-V397 HydrophobicContact CB-CG2 3.66Å; F386-V397 HydrophobicContact CD1-CG2 4.42Å; F386-V397 HydrophobicContact CD2-CG2 3.79Å; F386-V397 HydrophobicContact CG-CG2 3.71Å; F386-R423 HydrophobicContact CE1-CG 3.7Å; F386-R423 HydrophobicContact CZ-CG 3.54Å; F386-K428 WeakPolarHBondContact CD1-O 3.29Å; F386-K428 PolarHBondContact N-O 2.8Å; F386-K428 WeakPolarHBondContact O-CB 3.48Å; F386-T429 VanDerWaalsContact CE1-N 3.35Å; F386-L430 HydrophobicContact CD1-CB 4.4Å; F386-I508 HydrophobicContact CB-CG2 3.77Å
387	D	86.9	Confident	90.8	Very high	49 Å²	49	49.7 Å²	49.7	26%	0.262	25%	0.248	S	C	.	.			trans	-84.8	116.3	169.2	-175.9	42.5	0	0	0	109.9	D389 S390 T393 K428	D387-D389 VanDerWaalsContact C-N 3.27Å; D387-S390 WeakPolarHBondContact OD2-CB 3.48Å; D387-S390 PolarHBondContact OD2-N 3.17Å; D387-T393 WeakPolarHBondContact O-CB 3.48Å; D387-K428 IonicContact OD1-NZ 3.77Å; D387-K428 PolarHBondContact OD1-NZ 3.36Å
388	P	84.3	Confident	90.7	Very high	23 Å²	23	47.9 Å²	47.9	15%	0.149	25%	0.249	C	C	.	.	S	Bend	trans	-69	-28	175.6	28.8	-35.7	0	0	0	112.5	F386 S394 K428	F386-P388 HydrophobicContact CD2-CB 4.45Å; F386-P388 HydrophobicContact CE2-CB 3.73Å; F386-P388 HydrophobicContact CZ-CB 4.37Å; F386-P388 VanDerWaalsContact O-CD 3.31Å; F386-P388 WeakPolarHBondContact O-CD 3.27Å; P388-S394 WeakPolarHBondContact CA-OG 3.32Å; P388-S394 PolarHBondContact O-OG 3.38Å; P388-K428 VanDerWaalsContact CD-CD 3.47Å; P388-K428 VanDerWaalsContact CD-CE 3.43Å; P388-K428 HydrophobicContact CG-CD 4.01Å; P388-K428 HydrophobicContact CG-CG 3.95Å
389	D	87.4	Confident	90.4	Very high	122 Å²	122	44.3 Å²	44.3	65%	0.652	24%	0.236	S	C	*	.	S	Bend	trans	-77	-30.1	-171.8	-55.6	-51.9	0	0	0	111.7	D387 P391 K428	D387-D389 VanDerWaalsContact C-N 3.27Å; D389-P391 WeakPolarHBondContact O-CD 3.4Å; D389-K428 IonicContact OD2-NZ 3.67Å; D389-K428 PolarHBondContact OD2-NZ 2.71Å
390	S	87.9	Confident	90.2	Very high	24 Å²	24	44.2 Å²	44.2	17%	0.168	24%	0.235	C	C	.	.			trans	-67.1	116.2	165	167.8	0	0	0	0	111.8	D387 E392 T393 S394	D387-S390 WeakPolarHBondContact OD2-CB 3.48Å; D387-S390 PolarHBondContact OD2-N 3.17Å; S390-E392 VanDerWaalsContact C-N 3.31Å; S390-E392 PolarHBondContact O-N 2.88Å; S390-E392 PolarHBondContact OG-OE2 2.8Å; S390-E392 VanDerWaalsContact OG-OE2 3.12Å; S390-T393 WeakPolarHBondContact CB-OG1 3.29Å; S390-T393 PolarHBondContact O-N 3.08Å; S390-T393 WeakPolarHBondContact OG-CB 3.47Å; S390-T393 PolarHBondContact OG-N 2.91Å; S390-T393 VanDerWaalsContact OG-N 3.15Å; S390-T393 PolarHBondContact OG-OG1 3.02Å; S390-S394 WeakPolarHBondContact O-CB 3.03Å; S390-S394 PolarHBondContact O-N 2.91Å
391	P	86	Confident	90	Very high	88 Å²	88	46.1 Å²	46.1	57%	0.571	24%	0.243	S	C	*	.	H	α-helix	trans	-68.8	-28.1	178.3	27.5	-33.3	0	0	0	112.8	D389 K395	D389-P391 WeakPolarHBondContact O-CD 3.4Å; P391-K395 WeakPolarHBondContact O-CB 3.29Å; P391-K395 PolarHBondContact O-N 3.01Å
392	E	86.3	Confident	89.8	Confident	123 Å²	123	50.2 Å²	50.2	58%	0.575	27%	0.271	S	S	*	.	H	α-helix	trans	-64.9	-46.3	172.8	-60.4	68.5	-149	0	0	110.8	S390 K395 E396	S390-E392 VanDerWaalsContact C-N 3.31Å; S390-E392 PolarHBondContact O-N 2.88Å; S390-E392 PolarHBondContact OG-OE2 2.8Å; S390-E392 VanDerWaalsContact OG-OE2 3.12Å; E392-K395 WeakPolarHBondContact O-CB 3.46Å; E392-K395 PolarHBondContact O-N 2.67Å; E392-E396 PolarHBondContact O-N 3.46Å; E392-E396 VanDerWaalsContact O-N 3.1Å
393	T	86.4	Confident	89.6	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-70	-49.3	-178	-52.6	0	0	0	0	110.2	F386 D387 S390 K395 E396 V397 I508 S511	F386-T393 HydrophobicContact CB-CG2 3.99Å; D387-T393 WeakPolarHBondContact O-CB 3.48Å; S390-T393 WeakPolarHBondContact CB-OG1 3.29Å; S390-T393 PolarHBondContact O-N 3.08Å; S390-T393 WeakPolarHBondContact OG-CB 3.47Å; S390-T393 PolarHBondContact OG-N 2.91Å; S390-T393 VanDerWaalsContact OG-N 3.15Å; S390-T393 PolarHBondContact OG-OG1 3.02Å; T393-K395 PolarHBondContact O-N 3.08Å; T393-E396 PolarHBondContact O-N 2.87Å; T393-E396 VanDerWaalsContact O-N 3.13Å; T393-V397 VanDerWaalsContact O-CG2 3.31Å; T393-V397 WeakPolarHBondContact O-CG2 3.42Å; T393-V397 PolarHBondContact O-N 3.33Å; T393-I508 HydrophobicContact CG2-CG2 4.16Å; T393-S511 VanDerWaalsContact OG1-CB 3.3Å; T393-S511 WeakPolarHBondContact OG1-CB 3.35Å
394	S	87.9	Confident	89.5	Confident	24 Å²	24	50.2 Å²	50.2	17%	0.168	27%	0.271	C	S	.	.	H	α-helix	trans	-54.7	-35.4	173.2	-93.2	0	0	0	0	113.1	P388 S390 S398	P388-S394 WeakPolarHBondContact CA-OG 3.32Å; P388-S394 PolarHBondContact O-OG 3.38Å; S390-S394 WeakPolarHBondContact O-CB 3.03Å; S390-S394 PolarHBondContact O-N 2.91Å; S394-S398 PolarHBondContact O-N 2.89Å; S394-S398 PolarHBondContact O-OG 2.85Å
395	K	89.6	Confident	89.5	Confident	146 Å²	146	55.1 Å²	55.1	64%	0.635	29%	0.294	S	S	*	.	H	α-helix	trans	-68.4	-44.8	175.4	177.6	-175.1	175	-171.2	0	112.9	P391 E392 T393 S398 A399	P391-K395 WeakPolarHBondContact O-CB 3.29Å; P391-K395 PolarHBondContact O-N 3.01Å; E392-K395 WeakPolarHBondContact O-CB 3.46Å; E392-K395 PolarHBondContact O-N 2.67Å; T393-K395 PolarHBondContact O-N 3.08Å; K395-S398 PolarHBondContact O-N 2.62Å; K395-A399 WeakPolarHBondContact O-CB 3.35Å; K395-A399 PolarHBondContact O-N 2.87Å
396	E	89.4	Confident	89.4	Confident	54 Å²	54	53 Å²	53	25%	0.252	29%	0.286	S	S	.	.	H	α-helix	trans	-69.1	-33.3	177.2	-72.1	-57.6	141.2	0	0	112.3	E392 T393 A399 L400 R504 T507 I508	E392-E396 PolarHBondContact O-N 3.46Å; E392-E396 VanDerWaalsContact O-N 3.1Å; T393-E396 PolarHBondContact O-N 2.87Å; T393-E396 VanDerWaalsContact O-N 3.13Å; E396-A399 PolarHBondContact O-N 3.43Å; E396-L400 VanDerWaalsContact O-CB 3.31Å; E396-L400 WeakPolarHBondContact O-CB 3.34Å; E396-L400 PolarHBondContact O-N 2.86Å; E396-R504 IonicContact OE2-NE 3.59Å; E396-T507 HydrophobicContact CG-CG2 4Å; E396-I508 HydrophobicContact CB-CD1 4.4Å; E396-I508 HydrophobicContact CB-CG1 3.87Å
397	V	91.6	Very high	89.6	Confident	1 Å²	1	53 Å²	53	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-48.3	170.9	179.1	0	0	0	0	110.5	F386 T393 A399 L400 E401 R423 L430 I508	F386-V397 HydrophobicContact CB-CG2 3.66Å; F386-V397 HydrophobicContact CD1-CG2 4.42Å; F386-V397 HydrophobicContact CD2-CG2 3.79Å; F386-V397 HydrophobicContact CG-CG2 3.71Å; T393-V397 VanDerWaalsContact O-CG2 3.31Å; T393-V397 WeakPolarHBondContact O-CG2 3.42Å; T393-V397 PolarHBondContact O-N 3.33Å; V397-A399 VanDerWaalsContact C-N 3.27Å; V397-A399 PolarHBondContact O-N 2.87Å; V397-L400 WeakPolarHBondContact O-CB 3.42Å; V397-L400 PolarHBondContact O-N 2.92Å; V397-L400 VanDerWaalsContact O-N 3.16Å; V397-E401 WeakPolarHBondContact O-CG 3.46Å; V397-E401 PolarHBondContact O-N 2.81Å; V397-R423 VanDerWaalsContact CG1-CZ 3.41Å; V397-L430 HydrophobicContact CG1-CB 4.33Å; V397-L430 HydrophobicContact CG1-CD1 4.27Å; V397-L430 HydrophobicContact CG1-CD2 4.22Å; V397-L430 HydrophobicContact CG1-CG 4.5Å; V397-I508 HydrophobicContact CB-CD1 4.49Å; V397-I508 HydrophobicContact CG2-CD1 3.83Å; V397-I508 HydrophobicContact CG2-CG1 4.01Å; V397-I508 HydrophobicContact CG2-CG2 4.09Å
398	S	92.4	Very high	89.9	Confident	51 Å²	51	51.8 Å²	51.8	36%	0.357	28%	0.28	S	S	.	.	H	α-helix	trans	-62.1	-34.3	175.5	-58.3	0	0	0	0	112.8	S394 K395 C402 R423	S394-S398 PolarHBondContact O-N 2.89Å; S394-S398 PolarHBondContact O-OG 2.85Å; K395-S398 PolarHBondContact O-N 2.62Å; S398-C402 PolarHBondContact O-N 3.11Å; S398-C402 PolarHBondContact O-SG 3.4Å; S398-R423 PolarHBondContact OG-NH2 3.22Å
399	A	91.1	Very high	90.2	Very high	22 Å²	22	54.1 Å²	54.1	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-72.4	-32.9	177.4	0	0	0	0	0	112.3	K395 E396 V397 E403 R504	K395-A399 WeakPolarHBondContact O-CB 3.35Å; K395-A399 PolarHBondContact O-N 2.87Å; E396-A399 PolarHBondContact O-N 3.43Å; V397-A399 VanDerWaalsContact C-N 3.27Å; V397-A399 PolarHBondContact O-N 2.87Å; A399-E403 PolarHBondContact O-N 3.13Å; A399-R504 VanDerWaalsContact O-CZ 3.28Å; A399-R504 PolarHBondContact O-NH1 2.9Å
400	L	91.9	Very high	90.5	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-71	-41.8	172.9	173.1	58.5	0	0	0	111.8	E396 V397 C402 E403 I404 L430 I432 A501 R504 L505 I508	E396-L400 VanDerWaalsContact O-CB 3.31Å; E396-L400 WeakPolarHBondContact O-CB 3.34Å; E396-L400 PolarHBondContact O-N 2.86Å; V397-L400 WeakPolarHBondContact O-CB 3.42Å; V397-L400 PolarHBondContact O-N 2.92Å; V397-L400 VanDerWaalsContact O-N 3.16Å; L400-C402 VanDerWaalsContact C-N 3.34Å; L400-C402 PolarHBondContact O-N 3.05Å; L400-E403 CarbonylContact O-C 3.47Å; L400-E403 WeakPolarHBondContact O-CA 3.28Å; L400-E403 WeakPolarHBondContact O-CB 3.24Å; L400-E403 PolarHBondContact O-N 3.34Å; L400-I404 HydrophobicContact CD1-CD1 4.22Å; L400-I404 HydrophobicContact CD1-CG1 4Å; L400-I404 HydrophobicContact CG-CG1 4.39Å; L400-I404 WeakPolarHBondContact O-CG1 3.45Å; L400-I404 PolarHBondContact O-N 2.84Å; L400-L430 HydrophobicContact CD2-CD2 3.66Å; L400-L430 HydrophobicContact CG-CD2 4.16Å; L400-I432 HydrophobicContact CD2-CD1 4.28Å; L400-A501 HydrophobicContact CD1-CB 3.58Å; L400-R504 HydrophobicContact CB-CB 4.19Å; L400-R504 HydrophobicContact CD1-CB 4.4Å; L400-L505 HydrophobicContact CD2-CD2 3.65Å; L400-L505 HydrophobicContact CD2-CG 4.11Å; L400-I508 HydrophobicContact CB-CD1 4.34Å; L400-I508 HydrophobicContact CD2-CD1 3.63Å
401	E	93.6	Very high	90.8	Very high	47 Å²	47	52.5 Å²	52.5	22%	0.22	28%	0.277	C	S	.	.	H	α-helix	trans	-57.5	-46.2	174.6	-71.7	167	164.6	0	0	112	V397 E403 I404 Q405 R423 L430	V397-E401 WeakPolarHBondContact O-CG 3.46Å; V397-E401 PolarHBondContact O-N 2.81Å; E401-E403 PolarHBondContact O-N 3.07Å; E401-I404 PolarHBondContact O-N 2.84Å; E401-Q405 WeakPolarHBondContact O-CB 3.44Å; E401-Q405 PolarHBondContact O-N 3.35Å; E401-R423 WeakPolarHBondContact OE1-CB 3.48Å; E401-R423 IonicContact OE1-CZ 3.82Å; E401-R423 IonicContact OE1-NE 3.36Å; E401-R423 PolarHBondContact OE1-NE 2.89Å; E401-R423 IonicContact OE1-NH2 2.64Å; E401-R423 PolarHBondContact OE1-NH2 3.42Å; E401-R423 VanDerWaalsContact OE1-NH2 3.17Å; E401-R423 IonicContact OE2-CZ 2.71Å; E401-R423 IonicContact OE2-NE 3.72Å; E401-R423 IonicContact OE2-NH2 3.01Å; E401-R423 PolarHBondContact OE2-NH2 3.21Å; E401-L430 HydrophobicContact CG-CD1 3.91Å
402	C	92	Very high	91.3	Very high	87 Å²	87	51.3 Å²	51.3	59%	0.588	26%	0.263	S	S	*	.	H	α-helix	trans	-59.7	-32.4	173.6	-73.9	0	0	0	0	112.9	S398 L400 L406	S398-C402 PolarHBondContact O-N 3.11Å; S398-C402 PolarHBondContact O-SG 3.4Å; L400-C402 VanDerWaalsContact C-N 3.34Å; L400-C402 PolarHBondContact O-N 3.05Å; C402-L406 WeakPolarHBondContact O-CG 3.45Å; C402-L406 PolarHBondContact O-N 2.95Å
403	E	91.5	Very high	91.8	Very high	34 Å²	34	51 Å²	51	16%	0.159	26%	0.262	C	S	.	.	H	α-helix	trans	-74.6	-47.9	175	178.6	167.6	-151.1	0	0	111.4	A399 L400 E401 Q405 L406 L407 R504	A399-E403 PolarHBondContact O-N 3.13Å; L400-E403 CarbonylContact O-C 3.47Å; L400-E403 WeakPolarHBondContact O-CA 3.28Å; L400-E403 WeakPolarHBondContact O-CB 3.24Å; L400-E403 PolarHBondContact O-N 3.34Å; E401-E403 PolarHBondContact O-N 3.07Å; E403-Q405 VanDerWaalsContact C-N 3.26Å; E403-Q405 PolarHBondContact O-N 2.96Å; E403-L406 WeakPolarHBondContact O-CA 3.42Å; E403-L406 WeakPolarHBondContact O-CB 3.44Å; E403-L406 PolarHBondContact O-N 2.83Å; E403-L407 HydrophobicContact CG-CD1 4.03Å; E403-L407 HydrophobicContact CG-CG 4.19Å; E403-L407 WeakPolarHBondContact O-CG 3.43Å; E403-L407 PolarHBondContact O-N 3.47Å; E403-R504 IonicContact OE2-CZ 3.57Å; E403-R504 IonicContact OE2-NE 2.69Å; E403-R504 IonicContact OE2-NH1 2.64Å; E403-R504 PolarHBondContact OE2-NH1 2.89Å
404	I	93.1	Very high	92.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.2	-39.6	175.2	-64.4	-59	0	0	0	111.4	L400 E401 L406 L407 K408 Y418 C421 I432 A501	L400-I404 HydrophobicContact CD1-CD1 4.22Å; L400-I404 HydrophobicContact CD1-CG1 4Å; L400-I404 HydrophobicContact CG-CG1 4.39Å; L400-I404 WeakPolarHBondContact O-CG1 3.45Å; L400-I404 PolarHBondContact O-N 2.84Å; E401-I404 PolarHBondContact O-N 2.84Å; I404-L406 VanDerWaalsContact C-N 3.26Å; I404-L406 PolarHBondContact O-N 3.31Å; I404-L407 PolarHBondContact O-N 3.11Å; I404-K408 WeakPolarHBondContact O-CB 3.18Å; I404-K408 PolarHBondContact O-N 3.24Å; I404-Y418 HydrophobicContact CD1-CD1 4.08Å; I404-Y418 HydrophobicContact CD1-CE1 3.8Å; I404-C421 HydrophobicContact CG2-CB 4.21Å; I404-I432 HydrophobicContact CD1-CD1 4.29Å; I404-I432 HydrophobicContact CD1-CG2 3.89Å; I404-I432 HydrophobicContact CG1-CD1 4.37Å; I404-I432 HydrophobicContact CG1-CG2 4.25Å; I404-I432 HydrophobicContact CG2-CG2 4.26Å; I404-A501 HydrophobicContact CD1-CB 4.19Å
405	Q	90.9	Very high	92.8	Very high	104 Å²	104	50.9 Å²	50.9	49%	0.486	26%	0.258	S	S	.	.	H	α-helix	trans	-67.9	-21.5	176.2	179.2	58.7	16.2	0	0	113.4	E401 E403 K408 N409	E401-Q405 WeakPolarHBondContact O-CB 3.44Å; E401-Q405 PolarHBondContact O-N 3.35Å; E403-Q405 VanDerWaalsContact C-N 3.26Å; E403-Q405 PolarHBondContact O-N 2.96Å; Q405-K408 VanDerWaalsContact OE1-CE 3.32Å; Q405-N409 PolarHBondContact O-ND2 2.78Å
406	L	89.1	Confident	93.2	Very high	104 Å²	104	44 Å²	44	55%	0.545	23%	0.228	S	C	.	.	H	α-helix	trans	-81	-51.7	167.4	-69.3	170.2	0	0	0	111.1	L309 C402 E403 I404 K408 N409	L309-L406 HydrophobicContact CD1-CD1 4.37Å; C402-L406 WeakPolarHBondContact O-CG 3.45Å; C402-L406 PolarHBondContact O-N 2.95Å; E403-L406 WeakPolarHBondContact O-CA 3.42Å; E403-L406 WeakPolarHBondContact O-CB 3.44Å; E403-L406 PolarHBondContact O-N 2.83Å; I404-L406 VanDerWaalsContact C-N 3.26Å; I404-L406 PolarHBondContact O-N 3.31Å; L406-K408 PolarHBondContact O-N 2.85Å; L406-N409 PolarHBondContact O-N 3.49Å; L406-N409 PolarHBondContact O-ND2 3.25Å
407	L	92.1	Very high	93.5	Very high	9 Å²	9	42.4 Å²	42.4	5%	0.047	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-28	-177.6	-59.7	-177.1	0	0	0	112.9	E403 I404 N409 L410 Y418 I476 F499	E403-L407 HydrophobicContact CG-CD1 4.03Å; E403-L407 HydrophobicContact CG-CG 4.19Å; E403-L407 WeakPolarHBondContact O-CG 3.43Å; E403-L407 PolarHBondContact O-N 3.47Å; I404-L407 PolarHBondContact O-N 3.11Å; L407-N409 PolarHBondContact O-N 2.7Å; L407-L410 HydrophobicContact CB-CD1 4.33Å; L407-L410 HydrophobicContact CD2-CD1 3.89Å; L407-L410 VanDerWaalsContact O-CB 3.31Å; L407-L410 WeakPolarHBondContact O-CB 3.45Å; L407-L410 WeakPolarHBondContact O-CG 3.19Å; L407-L410 PolarHBondContact O-N 3.46Å; L407-L410 VanDerWaalsContact O-N 3.14Å; L407-Y418 HydrophobicContact CB-CD2 3.79Å; L407-Y418 HydrophobicContact CB-CE2 4.25Å; L407-Y418 HydrophobicContact CD1-CD2 4.38Å; L407-Y418 HydrophobicContact CD1-CE2 3.99Å; L407-I476 HydrophobicContact CD2-CD1 3.76Å; L407-F499 HydrophobicContact CB-CE2 4.17Å; L407-F499 HydrophobicContact CD1-CD2 4.22Å; L407-F499 HydrophobicContact CD1-CE2 4.05Å; L407-F499 HydrophobicContact CD2-CD2 4.33Å; L407-F499 HydrophobicContact CD2-CE2 4.02Å; L407-F499 HydrophobicContact CG-CE2 4.29Å
408	K	92.8	Very high	93.7	Very high	24 Å²	24	42.5 Å²	42.5	10%	0.104	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-36.6	169.4	168	-169.9	-84	-171.4	0	114.2	P347 I404 Q405 L406 L410 Q417 Y419	P347-K408 HydrophobicContact CB-CG 4.3Å; P347-K408 WeakPolarHBondContact O-CD 3.35Å; P347-K408 WeakPolarHBondContact O-CE 3.43Å; P347-K408 PolarHBondContact O-NZ 3.14Å; P347-K408 VanDerWaalsContact O-NZ 3.1Å; I404-K408 WeakPolarHBondContact O-CB 3.18Å; I404-K408 PolarHBondContact O-N 3.24Å; Q405-K408 VanDerWaalsContact OE1-CE 3.32Å; L406-K408 PolarHBondContact O-N 2.85Å; K408-L410 PolarHBondContact O-N 3.32Å; K408-Q417 PolarHBondContact O-NE2 2.77Å; K408-Y419 WeakPolarHBondContact CE-O 3.23Å
409	N	91.8	Very high	93.9	Very high	71 Å²	71	41.6 Å²	41.6	38%	0.38	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	3.2	-173.2	-47.7	-78.2	0	0	0	112.8	S346 Q405 L406 L407	S346-N409 PolarHBondContact OG-OD1 3.06Å; Q405-N409 PolarHBondContact O-ND2 2.78Å; L406-N409 PolarHBondContact O-N 3.49Å; L406-N409 PolarHBondContact O-ND2 3.25Å; L407-N409 PolarHBondContact O-N 2.7Å
410	L	92.7	Very high	94.1	Very high	16 Å²	16	40.7 Å²	40.7	8%	0.084	20%	0.203	C	C	.	.			trans	-80.4	133.7	171.3	-60.6	171.7	0	0	0	109.2	L407 K408 Q417 Y470 L471 N474 I476 F499	L407-L410 HydrophobicContact CB-CD1 4.33Å; L407-L410 HydrophobicContact CD2-CD1 3.89Å; L407-L410 VanDerWaalsContact O-CB 3.31Å; L407-L410 WeakPolarHBondContact O-CB 3.45Å; L407-L410 WeakPolarHBondContact O-CG 3.19Å; L407-L410 PolarHBondContact O-N 3.46Å; L407-L410 VanDerWaalsContact O-N 3.14Å; K408-L410 PolarHBondContact O-N 3.32Å; L410-Q417 PolarHBondContact O-NE2 2.69Å; L410-Q417 PolarHBondContact O-OE1 2.65Å; L410-Q417 VanDerWaalsContact O-OE1 3.07Å; L410-Y470 HydrophobicContact CB-CE1 4.1Å; L410-Y470 HydrophobicContact CD2-CE1 4Å; L410-L471 HydrophobicContact CD1-CD2 4.21Å; L410-N474 HydrophobicContact CD2-CB 4.26Å; L410-I476 HydrophobicContact CD1-CD1 3.54Å; L410-I476 HydrophobicContact CD2-CD1 4.12Å; L410-I476 HydrophobicContact CG-CD1 4.4Å; L410-F499 HydrophobicContact CD1-CE2 3.67Å; L410-F499 HydrophobicContact CD1-CZ 4.28Å
411	H	94.3	Very high	94.2	Very high	97 Å²	97	42 Å²	42	45%	0.449	21%	0.212	S	C	.	.			trans	-139.8	109.2	-176.9	-64.6	-47.3	0	0	0	108.9	Q417 Y470	H411-Q417 PolarHBondContact CE1-OE1 2.83Å; H411-Q417 PolarHBondContact ND1-OE1 2.8Å; H411-Y470 PolarHBondContact N-OH 2.85Å; H411-Y470 PolarHBondContact O-OH 3.13Å
412	H	96.7	Very high	94.3	Very high	63 Å²	63	43.3 Å²	43.3	29%	0.292	22%	0.22	S	C	.	.			trans	-158.9	143.3	179.7	-171.5	-111.8	0	0	0	110.8	R414 I415 E466 Y470	H412-R414 PolarHBondContact ND1-N 2.59Å; H412-R414 PolarHBondContact O-N 3.38Å; H412-I415 HydrophobicContact CB-CB 4.15Å; H412-I415 HydrophobicContact CB-CG1 3.81Å; H412-I415 PolarHBondContact O-N 3.09Å; H412-I415 VanDerWaalsContact O-N 3.13Å; H412-E466 PolarHBondContact CE1-O 3.24Å; H412-Y470 HydrophobicContact CB-CD1 3.72Å; H412-Y470 HydrophobicContact CB-CD2 3.91Å; H412-Y470 HydrophobicContact CB-CE1 3.82Å; H412-Y470 HydrophobicContact CB-CE2 3.99Å; H412-Y470 HydrophobicContact CB-CG 3.77Å; H412-Y470 AromaticContact CD2-CD2 3.62Å; H412-Y470 AromaticContact CD2-CG 3.85Å; H412-Y470 AromaticContact CG-CD2 3.8Å; H412-Y470 AromaticContact CG-CG 3.63Å
413	E	97.2	Very high	94.3	Very high	115 Å²	115	41.6 Å²	41.6	54%	0.537	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.2	-175.3	-156.4	-163.3	144.6	0	0	113.1	K495	E413-K495 WeakPolarHBondContact O-CD 3.34Å; E413-K495 WeakPolarHBondContact O-CE 3.35Å; E413-K495 WeakPolarHBondContact O-CG 3.34Å
414	R	98	Very high	94.4	Very high	20 Å²	20	43 Å²	43	8%	0.075	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	10.7	-176.8	-50.3	-60.6	177.3	-127.4	-18.3	114.8	H412 Q463 E466 V494 K495 L496	H412-R414 PolarHBondContact ND1-N 2.59Å; H412-R414 PolarHBondContact O-N 3.38Å; R414-Q463 VanDerWaalsContact CB-O 3.29Å; R414-Q463 WeakPolarHBondContact CB-O 3.14Å; R414-Q463 VanDerWaalsContact CG-O 3.25Å; R414-Q463 WeakPolarHBondContact CG-O 3.32Å; R414-E466 HydrophobicContact CG-CB 3.78Å; R414-E466 IonicContact CZ-OE2 2.7Å; R414-E466 IonicContact NE-OE2 3.63Å; R414-E466 PolarHBondContact NE-OE2 3.24Å; R414-E466 IonicContact NH2-OE2 3.67Å; R414-V494 WeakPolarHBondContact CD-O 3.4Å; R414-K495 CarbonylContact O-C 3.48Å; R414-K495 VanDerWaalsContact O-CA 3.27Å; R414-K495 WeakPolarHBondContact O-CA 3.39Å; R414-L496 PolarHBondContact O-N 2.58Å
415	I	97.6	Very high	94.1	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-121.6	130.4	-179.6	-59.3	-60.2	0	0	0	108.8	H412 Q417 Y470 L471 K495 L496 F499	H412-I415 HydrophobicContact CB-CB 4.15Å; H412-I415 HydrophobicContact CB-CG1 3.81Å; H412-I415 PolarHBondContact O-N 3.09Å; H412-I415 VanDerWaalsContact O-N 3.13Å; I415-Q417 PolarHBondContact O-N 3.02Å; I415-Y470 HydrophobicContact CG1-CD1 3.94Å; I415-Y470 HydrophobicContact CG1-CE1 4.45Å; I415-L471 HydrophobicContact CD1-CD1 3.89Å; I415-L471 HydrophobicContact CD1-CD2 3.99Å; I415-L471 HydrophobicContact CD1-CG 3.68Å; I415-K495 WeakPolarHBondContact O-CD 3.35Å; I415-L496 HydrophobicContact CD1-CB 4.07Å; I415-L496 HydrophobicContact CD1-CD1 4.05Å; I415-F499 HydrophobicContact CG2-CD1 4.23Å; I415-F499 HydrophobicContact CG2-CE1 3.35Å; I415-F499 HydrophobicContact CG2-CE2 4.32Å; I415-F499 HydrophobicContact CG2-CZ 3.39Å
416	V	97	Very high	94	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-65.4	121.7	175.7	173.7	0	0	0	0	108.6	Y418 M434 E435 M437 L487 K495 L496	V416-Y418 PolarHBondContact O-N 2.74Å; V416-M434 HydrophobicContact CG1-CB 4.12Å; V416-M434 HydrophobicContact CG1-CG 4.37Å; V416-E435 HydrophobicContact CG1-CB 4.06Å; V416-M437 HydrophobicContact CG2-CG 4.08Å; V416-M437 HydrophobicContact CG2-SD 4.41Å; V416-L487 HydrophobicContact CG2-CB 4.46Å; V416-L487 HydrophobicContact CG2-CD1 4.16Å; V416-K495 HydrophobicContact CG2-CB 3.76Å; V416-L496 WeakPolarHBondContact CB-O 3.47Å; V416-L496 WeakPolarHBondContact CG2-O 3.42Å; V416-L496 PolarHBondContact N-O 3.39Å
417	Q	96.2	Very high	94	Very high	20 Å²	20	52.1 Å²	52.1	9%	0.093	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-69.5	124.9	-175.7	-173.7	63.6	64.5	0	0	111.6	P347 K408 L410 H411 I415 Y419 M434 E435	P347-Q417 HydrophobicContact CG-CG 4.37Å; K408-Q417 PolarHBondContact O-NE2 2.77Å; L410-Q417 PolarHBondContact O-NE2 2.69Å; L410-Q417 PolarHBondContact O-OE1 2.65Å; L410-Q417 VanDerWaalsContact O-OE1 3.07Å; H411-Q417 PolarHBondContact CE1-OE1 2.83Å; H411-Q417 PolarHBondContact ND1-OE1 2.8Å; I415-Q417 PolarHBondContact O-N 3.02Å; Q417-Y419 HydrophobicContact CB-CE2 3.78Å; Q417-Y419 HydrophobicContact CG-CD2 4.44Å; Q417-Y419 HydrophobicContact CG-CE1 4.17Å; Q417-Y419 HydrophobicContact CG-CE2 3.68Å; Q417-Y419 VanDerWaalsContact CG-CZ 3.47Å; Q417-Y419 VanDerWaalsContact CG-OH 3.32Å; Q417-Y419 WeakPolarHBondContact CG-OH 3.48Å; Q417-Y419 WeakPolarHBondContact O-CD2 3.44Å; Q417-Y419 WeakPolarHBondContact O-CE2 3.33Å; Q417-M434 CarbonylContact O-C 3.57Å; Q417-M434 VanDerWaalsContact O-CA 3.23Å; Q417-M434 WeakPolarHBondContact O-CA 3.37Å; Q417-E435 HydrophobicContact CB-CB 4.1Å; Q417-E435 PolarHBondContact N-OE2 3.01Å; Q417-E435 VanDerWaalsContact N-OE2 3.11Å; Q417-E435 PolarHBondContact O-N 3.05Å
418	Y	96.3	Very high	94.1	Very high	3 Å²	3	55.5 Å²	55.5	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	136.6	164.8	-78	-71.5	0	0	0	110.9	I404 L407 V416 I432 M434 F499	I404-Y418 HydrophobicContact CD1-CD1 4.08Å; I404-Y418 HydrophobicContact CD1-CE1 3.8Å; L407-Y418 HydrophobicContact CB-CD2 3.79Å; L407-Y418 HydrophobicContact CB-CE2 4.25Å; L407-Y418 HydrophobicContact CD1-CD2 4.38Å; L407-Y418 HydrophobicContact CD1-CE2 3.99Å; V416-Y418 PolarHBondContact O-N 2.74Å; Y418-I432 HydrophobicContact CD1-CG2 3.86Å; Y418-I432 HydrophobicContact CE1-CG2 3.73Å; Y418-M434 HydrophobicContact CD1-CB 4.2Å; Y418-M434 HydrophobicContact CE1-CB 4.42Å; Y418-M434 HydrophobicContact CE1-CE 4.03Å; Y418-F499 HydrophobicContact CD2-CE1 4.12Å; Y418-F499 HydrophobicContact CD2-CE2 4.08Å; Y418-F499 AromaticContact CD2-CZ 3.55Å; Y418-F499 HydrophobicContact CD2-CZ 3.55Å; Y418-F499 HydrophobicContact CE2-CD1 4.26Å; Y418-F499 HydrophobicContact CE2-CD2 4.36Å; Y418-F499 AromaticContact CE2-CE1 3.65Å; Y418-F499 HydrophobicContact CE2-CE1 3.65Å; Y418-F499 AromaticContact CE2-CE2 3.77Å; Y418-F499 HydrophobicContact CE2-CE2 3.77Å; Y418-F499 AromaticContact CE2-CZ 3.39Å; Y418-F499 HydrophobicContact CE2-CZ 3.39Å
419	Y	95.5	Very high	94.1	Very high	32 Å²	32	55 Å²	55	13%	0.125	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-25.9	176.1	-72	-82.2	0	0	0	112.1	P347 S348 A349 R377 L379 K408 Q417 F433 E435	P347-Y419 HydrophobicContact CB-CD1 3.59Å; P347-Y419 HydrophobicContact CB-CE1 3.78Å; P347-Y419 HydrophobicContact CB-CG 4.41Å; P347-Y419 HydrophobicContact CG-CE1 4.4Å; S348-Y419 CarbonylContact C-O 3.55Å; S348-Y419 WeakPolarHBondContact CA-O 3.5Å; A349-Y419 PolarHBondContact N-O 2.82Å; R377-Y419 PolarHBondContact NH1-OH 3.19Å; R377-Y419 PolarHBondContact NH2-OH 2.77Å; L379-Y419 HydrophobicContact CD2-CD2 3.76Å; L379-Y419 HydrophobicContact CD2-CE2 3.83Å; L379-Y419 HydrophobicContact CD2-CG 4.23Å; K408-Y419 WeakPolarHBondContact CE-O 3.23Å; Q417-Y419 HydrophobicContact CB-CE2 3.78Å; Q417-Y419 HydrophobicContact CG-CD2 4.44Å; Q417-Y419 HydrophobicContact CG-CE1 4.17Å; Q417-Y419 HydrophobicContact CG-CE2 3.68Å; Q417-Y419 VanDerWaalsContact CG-CZ 3.47Å; Q417-Y419 VanDerWaalsContact CG-OH 3.32Å; Q417-Y419 WeakPolarHBondContact CG-OH 3.48Å; Q417-Y419 WeakPolarHBondContact O-CD2 3.44Å; Q417-Y419 WeakPolarHBondContact O-CE2 3.33Å; Y419-F433 PolarHBondContact N-O 3.27Å; Y419-E435 HydrophobicContact CE2-CB 4.18Å
420	G	95.1	Very high	94.2	Very high	3 Å²	3	51.6 Å²	51.6	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.2	-159.6	176.3	0	0	0	0	0	111.2	F433	G420-F433 PolarHBondContact N-O 3.43Å; G420-F433 PolarHBondContact O-N 2.65Å
421	C	95.4	Very high	94.4	Very high	29 Å²	29	51.2 Å²	51.2	20%	0.196	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.4	175.2	52	0	0	0	0	111.2	I404 L430 T431 I432	I404-C421 HydrophobicContact CG2-CB 4.21Å; C421-L430 HydrophobicContact CB-CD1 4.06Å; C421-T431 CarbonylContact C-O 3.5Å; C421-T431 WeakPolarHBondContact CA-O 3.47Å; C421-T431 WeakPolarHBondContact CB-O 3.35Å; C421-I432 HydrophobicContact CB-CB 4.48Å; C421-I432 HydrophobicContact CB-CG1 4.13Å
422	L	94.9	Very high	94.5	Very high	73 Å²	73	46.7 Å²	46.7	38%	0.382	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.6	171.6	-63.9	174.9	0	0	0	108.2	A349 T431 F433	A349-L422 HydrophobicContact CB-CG 4.49Å; L422-T431 PolarHBondContact N-O 3.02Å; L422-T431 PolarHBondContact O-N 3.29Å; L422-F433 HydrophobicContact CB-CE2 4.06Å; L422-F433 HydrophobicContact CD1-CE2 3.78Å; L422-F433 HydrophobicContact CD1-CZ 4.04Å; L422-F433 HydrophobicContact CG-CE2 3.78Å
423	R	92.9	Very high	94.5	Very high	52 Å²	52	43.7 Å²	43.7	20%	0.196	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.2	175.4	-173.8	-162.3	-64.6	-145.6	15.1	109.2	F386 V397 S398 E401 H425 L430	F386-R423 HydrophobicContact CE1-CG 3.7Å; F386-R423 HydrophobicContact CZ-CG 3.54Å; V397-R423 VanDerWaalsContact CG1-CZ 3.41Å; S398-R423 PolarHBondContact OG-NH2 3.22Å; E401-R423 WeakPolarHBondContact OE1-CB 3.48Å; E401-R423 IonicContact OE1-CZ 3.82Å; E401-R423 IonicContact OE1-NE 3.36Å; E401-R423 PolarHBondContact OE1-NE 2.89Å; E401-R423 IonicContact OE1-NH2 2.64Å; E401-R423 PolarHBondContact OE1-NH2 3.42Å; E401-R423 VanDerWaalsContact OE1-NH2 3.17Å; E401-R423 IonicContact OE2-CZ 2.71Å; E401-R423 IonicContact OE2-NE 3.72Å; E401-R423 IonicContact OE2-NH2 3.01Å; E401-R423 PolarHBondContact OE2-NH2 3.21Å; R423-H425 VanDerWaalsContact CD-NE2 3.27Å; R423-H425 WeakPolarHBondContact CD-NE2 3.41Å; R423-L430 HydrophobicContact CB-CD1 4.1Å
424	D	91.9	Very high	94.5	Very high	64 Å²	64	38.7 Å²	38.7	34%	0.342	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.6	167.8	-162.9	-48	0	0	0	109	N426 E427 K428 T429	D424-N426 WeakPolarHBondContact OD1-CA 3.16Å; D424-N426 WeakPolarHBondContact OD1-CB 3.49Å; D424-N426 PolarHBondContact OD1-N 3.26Å; D424-E427 HydrophobicContact CB-CB 4.04Å; D424-E427 PolarHBondContact OD1-N 2.67Å; D424-K428 PolarHBondContact O-N 3.34Å; D424-T429 PolarHBondContact N-O 2.99Å; D424-T429 PolarHBondContact O-N 3.36Å
425	H	87.6	Confident	94.4	Very high	110 Å²	110	39.5 Å²	39.5	51%	0.509	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-26	178.1	-80.4	-94.2	0	0	0	112.8	R423	R423-H425 VanDerWaalsContact CD-NE2 3.27Å; R423-H425 WeakPolarHBondContact CD-NE2 3.41Å
426	N	89.6	Confident	94.4	Very high	150 Å²	150	41.5 Å²	41.5	80%	0.802	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-47.6	-179.3	-56.1	-31.2	0	0	0	109.6	D424 K428	D424-N426 WeakPolarHBondContact OD1-CA 3.16Å; D424-N426 WeakPolarHBondContact OD1-CB 3.49Å; D424-N426 PolarHBondContact OD1-N 3.26Å; N426-K428 PolarHBondContact O-N 3.48Å
427	E	89.6	Confident	94.4	Very high	139 Å²	139	42 Å²	42	65%	0.65	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	5.9	175.6	-62.7	-67.1	147.5	0	0	112.9	D424 T429	D424-E427 HydrophobicContact CB-CB 4.04Å; D424-E427 PolarHBondContact OD1-N 2.67Å; E427-T429 WeakPolarHBondContact O-CB 3.4Å; E427-T429 PolarHBondContact O-N 3.49Å; E427-T429 PolarHBondContact O-OG1 2.91Å
428	K	92.3	Very high	94.3	Very high	79 Å²	79	44.1 Å²	44.1	34%	0.343	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.2	40.1	-179.1	-69.8	-160.7	165.8	-157	0	113.5	Q385 F386 D387 P388 D389 D424 N426	Q385-K428 WeakPolarHBondContact CA-O 3.14Å; F386-K428 WeakPolarHBondContact CD1-O 3.29Å; F386-K428 PolarHBondContact N-O 2.8Å; F386-K428 WeakPolarHBondContact O-CB 3.48Å; D387-K428 IonicContact OD1-NZ 3.77Å; D387-K428 PolarHBondContact OD1-NZ 3.36Å; P388-K428 VanDerWaalsContact CD-CD 3.47Å; P388-K428 VanDerWaalsContact CD-CE 3.43Å; P388-K428 HydrophobicContact CG-CD 4.01Å; P388-K428 HydrophobicContact CG-CG 3.95Å; D389-K428 IonicContact OD2-NZ 3.67Å; D389-K428 PolarHBondContact OD2-NZ 2.71Å; D424-K428 PolarHBondContact O-N 3.34Å; N426-K428 PolarHBondContact O-N 3.48Å
429	T	93.3	Very high	94.3	Very high	13 Å²	13	45.2 Å²	45.2	8%	0.08	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	126.5	-165.4	-69.3	0	0	0	0	113.3	Q383 V384 F386 D424 E427	Q383-T429 HydrophobicContact CB-CG2 3.87Å; Q383-T429 HydrophobicContact CG-CG2 4.36Å; V384-T429 WeakPolarHBondContact O-CA 3.46Å; F386-T429 VanDerWaalsContact CE1-N 3.35Å; D424-T429 PolarHBondContact N-O 2.99Å; D424-T429 PolarHBondContact O-N 3.36Å; E427-T429 WeakPolarHBondContact O-CB 3.4Å; E427-T429 PolarHBondContact O-N 3.49Å; E427-T429 PolarHBondContact O-OG1 2.91Å
430	L	94.5	Very high	94.3	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	123	163.9	179.8	73.7	0	0	0	109	Q383 V384 F386 V397 L400 E401 C421 R423 I432	Q383-L430 WeakPolarHBondContact CA-O 3.28Å; V384-L430 HydrophobicContact CB-CB 4.48Å; V384-L430 PolarHBondContact N-O 3.01Å; V384-L430 PolarHBondContact O-N 2.89Å; F386-L430 HydrophobicContact CD1-CB 4.4Å; V397-L430 HydrophobicContact CG1-CB 4.33Å; V397-L430 HydrophobicContact CG1-CD1 4.27Å; V397-L430 HydrophobicContact CG1-CD2 4.22Å; V397-L430 HydrophobicContact CG1-CG 4.5Å; L400-L430 HydrophobicContact CD2-CD2 3.66Å; L400-L430 HydrophobicContact CG-CD2 4.16Å; E401-L430 HydrophobicContact CG-CD1 3.91Å; C421-L430 HydrophobicContact CB-CD1 4.06Å; R423-L430 HydrophobicContact CB-CD1 4.1Å; L430-I432 HydrophobicContact CD2-CD1 4.1Å; L430-I432 HydrophobicContact CD2-CG1 4.02Å; L430-I432 HydrophobicContact CG-CG1 4.19Å
431	T	96.1	Very high	94.4	Very high	7 Å²	7	45 Å²	45	4%	0.043	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.6	173.8	-57.9	0	0	0	0	110	W353 A381 K382 Q383 C421 L422 F433	W353-T431 HydrophobicContact CH2-CG2 4.11Å; W353-T431 HydrophobicContact CZ2-CG2 4.24Å; A381-T431 HydrophobicContact CB-CG2 3.81Å; K382-T431 WeakPolarHBondContact O-CA 3.44Å; Q383-T431 HydrophobicContact CG-CG2 4.09Å; Q383-T431 PolarHBondContact NE2-OG1 3.04Å; C421-T431 CarbonylContact C-O 3.5Å; C421-T431 WeakPolarHBondContact CA-O 3.47Å; C421-T431 WeakPolarHBondContact CB-O 3.35Å; L422-T431 PolarHBondContact N-O 3.02Å; L422-T431 PolarHBondContact O-N 3.29Å; T431-F433 HydrophobicContact CG2-CD2 4.4Å; T431-F433 HydrophobicContact CG2-CE1 3.98Å; T431-F433 HydrophobicContact CG2-CE2 3.74Å; T431-F433 HydrophobicContact CG2-CZ 3.5Å
432	I	96.4	Very high	94.5	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.8	178.4	-53	172.7	0	0	0	109	A381 K382 L400 I404 Y418 C421 L430 M434 L505	A381-I432 WeakPolarHBondContact CA-O 3.39Å; K382-I432 HydrophobicContact CB-CB 4.43Å; K382-I432 PolarHBondContact N-O 2.67Å; K382-I432 PolarHBondContact O-N 3.33Å; L400-I432 HydrophobicContact CD2-CD1 4.28Å; I404-I432 HydrophobicContact CD1-CD1 4.29Å; I404-I432 HydrophobicContact CD1-CG2 3.89Å; I404-I432 HydrophobicContact CG1-CD1 4.37Å; I404-I432 HydrophobicContact CG1-CG2 4.25Å; I404-I432 HydrophobicContact CG2-CG2 4.26Å; Y418-I432 HydrophobicContact CD1-CG2 3.86Å; Y418-I432 HydrophobicContact CE1-CG2 3.73Å; C421-I432 HydrophobicContact CB-CB 4.48Å; C421-I432 HydrophobicContact CB-CG1 4.13Å; L430-I432 HydrophobicContact CD2-CD1 4.1Å; L430-I432 HydrophobicContact CD2-CG1 4.02Å; L430-I432 HydrophobicContact CG-CG1 4.19Å; I432-M434 HydrophobicContact CG2-CE 4.24Å; I432-L505 HydrophobicContact CD1-CD2 4.13Å
433	F	96.9	Very high	94.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	128.1	-178.2	-60.7	-89.8	0	0	0	110.7	A349 P350 W353 A380 A381 Y419 G420 L422 T431	A349-F433 HydrophobicContact CB-CD2 3.76Å; A349-F433 HydrophobicContact CB-CE2 4.29Å; A349-F433 HydrophobicContact CB-CG 4.33Å; P350-F433 HydrophobicContact CG-CD1 3.66Å; P350-F433 HydrophobicContact CG-CE1 3.65Å; P350-F433 HydrophobicContact CG-CG 4.25Å; P350-F433 HydrophobicContact CG-CZ 4.24Å; W353-F433 AromaticContact CD1-CZ 4Å; W353-F433 AromaticContact CD2-CE1 3.75Å; W353-F433 HydrophobicContact CD2-CE1 3.75Å; W353-F433 AromaticContact CD2-CZ 3.86Å; W353-F433 HydrophobicContact CD2-CZ 3.86Å; W353-F433 AromaticContact CE2-CZ 3.65Å; W353-F433 HydrophobicContact CE3-CE1 4.01Å; W353-F433 HydrophobicContact CE3-CZ 4.43Å; W353-F433 AromaticContact CG-CE1 3.98Å; W353-F433 HydrophobicContact CG-CE1 3.98Å; W353-F433 HydrophobicContact CG-CZ 4.11Å; W353-F433 HydrophobicContact CZ2-CZ 4.08Å; W353-F433 AromaticContact NE1-CZ 3.74Å; A380-F433 WeakPolarHBondContact O-CA 3.41Å; A381-F433 HydrophobicContact CB-CD1 4.22Å; A381-F433 HydrophobicContact CB-CE1 4.12Å; Y419-F433 PolarHBondContact N-O 3.27Å; G420-F433 PolarHBondContact N-O 3.43Å; G420-F433 PolarHBondContact O-N 2.65Å; L422-F433 HydrophobicContact CB-CE2 4.06Å; L422-F433 HydrophobicContact CD1-CE2 3.78Å; L422-F433 HydrophobicContact CD1-CZ 4.04Å; L422-F433 HydrophobicContact CG-CE2 3.78Å; T431-F433 HydrophobicContact CG2-CD2 4.4Å; T431-F433 HydrophobicContact CG2-CE1 3.98Å; T431-F433 HydrophobicContact CG2-CE2 3.74Å; T431-F433 HydrophobicContact CG2-CZ 3.5Å
434	M	96.6	Very high	94.7	Very high	11 Å²	11	47.2 Å²	47.2	5%	0.054	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	167.9	-179.8	67	-168.8	71.9	0	0	111.3	A380 K382 V416 Q417 Y418 I432 Y436	A380-M434 HydrophobicContact CB-CG 3.79Å; A380-M434 PolarHBondContact N-O 3.04Å; A380-M434 PolarHBondContact O-N 2.69Å; K382-M434 HydrophobicContact CB-CE 3.68Å; K382-M434 HydrophobicContact CD-CE 4.07Å; V416-M434 HydrophobicContact CG1-CB 4.12Å; V416-M434 HydrophobicContact CG1-CG 4.37Å; Q417-M434 CarbonylContact O-C 3.57Å; Q417-M434 VanDerWaalsContact O-CA 3.23Å; Q417-M434 WeakPolarHBondContact O-CA 3.37Å; Y418-M434 HydrophobicContact CD1-CB 4.2Å; Y418-M434 HydrophobicContact CE1-CB 4.42Å; Y418-M434 HydrophobicContact CE1-CE 4.03Å; I432-M434 HydrophobicContact CG2-CE 4.24Å; M434-Y436 PolarHBondContact O-N 2.64Å
435	E	96.4	Very high	94.9	Very high	36 Å²	36	45.6 Å²	45.6	17%	0.168	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	131.8	175.3	-177.6	175.1	-155	0	0	111.7	V416 Q417 Y419 M437 K495	V416-E435 HydrophobicContact CG1-CB 4.06Å; Q417-E435 HydrophobicContact CB-CB 4.1Å; Q417-E435 PolarHBondContact N-OE2 3.01Å; Q417-E435 VanDerWaalsContact N-OE2 3.11Å; Q417-E435 PolarHBondContact O-N 3.05Å; Y419-E435 HydrophobicContact CE2-CB 4.18Å; E435-M437 HydrophobicContact CG-SD 3.93Å; E435-K495 IonicContact OE1-NZ 2.76Å; E435-K495 PolarHBondContact OE1-NZ 3.31Å; E435-K495 IonicContact OE2-NZ 3.67Å; E435-K495 PolarHBondContact OE2-NZ 3.44Å
436	Y	97	Very high	95.4	Very high	46 Å²	46	40.9 Å²	40.9	18%	0.18	22%	0.216	C	C	.	.			trans	-75.7	125.5	171.7	179.6	-140.4	0	0	0	110.1	L359 L369 E378 M434 P438	L359-Y436 HydrophobicContact CD1-CD2 3.73Å; L359-Y436 HydrophobicContact CD1-CE2 3.59Å; L359-Y436 HydrophobicContact CD2-CE2 3.8Å; L359-Y436 HydrophobicContact CG-CE2 4.36Å; L369-Y436 HydrophobicContact CD1-CD1 3.61Å; L369-Y436 HydrophobicContact CD1-CD2 4.14Å; L369-Y436 HydrophobicContact CD1-CE1 3.65Å; L369-Y436 HydrophobicContact CD1-CE2 4.22Å; L369-Y436 HydrophobicContact CD1-CG 3.88Å; E378-Y436 HydrophobicContact CB-CD1 4Å; M434-Y436 PolarHBondContact O-N 2.64Å; Y436-P438 HydrophobicContact CE1-CB 3.97Å; Y436-P438 WeakPolarHBondContact O-CD 3.43Å
437	M	97.3	Very high	95.7	Very high	11 Å²	11	42.6 Å²	42.6	5%	0.054	22%	0.216	C	C	.	.			trans	-110	93.3	179.8	-61.7	-60.8	-62.2	0	0	108.7	V416 E435 G439 G440 L487 R488 D489 K495	V416-M437 HydrophobicContact CG2-CG 4.08Å; V416-M437 HydrophobicContact CG2-SD 4.41Å; E435-M437 HydrophobicContact CG-SD 3.93Å; M437-G439 VanDerWaalsContact C-N 3.26Å; M437-G439 PolarHBondContact O-N 2.82Å; M437-G440 PolarHBondContact O-N 3.32Å; M437-L487 HydrophobicContact CB-CB 3.67Å; M437-L487 HydrophobicContact CB-CD1 4.15Å; M437-L487 HydrophobicContact CE-CB 4.44Å; M437-L487 HydrophobicContact CG-CB 3.73Å; M437-L487 HydrophobicContact CG-CD1 3.97Å; M437-R488 CarbonylContact C-O 3.58Å; M437-R488 VanDerWaalsContact C-O 3.27Å; M437-D489 HydrophobicContact CE-CB 4.03Å; M437-K495 HydrophobicContact CE-CB 3.98Å; M437-K495 HydrophobicContact CE-CD 3.83Å; M437-K495 HydrophobicContact CE-CG 3.64Å; M437-K495 HydrophobicContact SD-CD 4Å; M437-K495 HydrophobicContact SD-CG 4.44Å
438	P	95.8	Very high	96	Very high	65 Å²	65	39.1 Å²	39.1	42%	0.422	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.2	-164.2	26	-36	0	0	0	114.8	Y436 G440	Y436-P438 HydrophobicContact CE1-CB 3.97Å; Y436-P438 WeakPolarHBondContact O-CD 3.43Å; P438-G440 VanDerWaalsContact C-N 3.27Å; P438-G440 PolarHBondContact O-N 3.02Å
439	G	95.8	Very high	96.2	Very high	26 Å²	26	44.5 Å²	44.5	27%	0.268	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-8.8	175.8	0	0	0	0	0	114.6	M437 R488	M437-G439 VanDerWaalsContact C-N 3.26Å; M437-G439 PolarHBondContact O-N 2.82Å; G439-R488 WeakPolarHBondContact CA-O 3.33Å; G439-R488 PolarHBondContact N-O 2.88Å; G439-R488 PolarHBondContact O-NH1 2.82Å; G439-R488 PolarHBondContact O-NH2 3.35Å
440	G	95.7	Very high	96.4	Very high	25 Å²	25	44.7 Å²	44.7	26%	0.258	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	71.8	-165.7	-173.2	0	0	0	0	0	112.7	M437 P438 L487 R488	M437-G440 PolarHBondContact O-N 3.32Å; P438-G440 VanDerWaalsContact C-N 3.27Å; P438-G440 PolarHBondContact O-N 3.02Å; G440-L487 WeakPolarHBondContact O-CA 3.41Å; G440-R488 PolarHBondContact O-N 3.41Å; G440-R488 PolarHBondContact O-NH1 2.81Å
441	S	96.6	Very high	96.5	Very high	7 Å²	7	46.8 Å²	46.8	5%	0.049	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	159.4	179.5	76	0	0	0	0	112.7	K443 D444 Q445 G483 A484 I486 R488	S441-K443 PolarHBondContact O-N 3.16Å; S441-K443 PolarHBondContact OG-N 2.96Å; S441-D444 WeakPolarHBondContact CA-OD2 3.35Å; S441-D444 VanDerWaalsContact CB-OD2 3.28Å; S441-D444 WeakPolarHBondContact CB-OD2 3.19Å; S441-D444 PolarHBondContact N-OD2 2.85Å; S441-D444 WeakPolarHBondContact O-CB 3.5Å; S441-D444 PolarHBondContact O-N 2.88Å; S441-D444 VanDerWaalsContact O-N 3.07Å; S441-D444 PolarHBondContact OG-N 3.14Å; S441-D444 VanDerWaalsContact OG-N 3.14Å; S441-D444 PolarHBondContact OG-OD2 3.21Å; S441-Q445 PolarHBondContact O-N 2.78Å; S441-G483 WeakPolarHBondContact CB-O 3.44Å; S441-A484 VanDerWaalsContact CB-O 3.22Å; S441-A484 WeakPolarHBondContact CB-O 3.32Å; S441-I486 CarbonylContact C-O 3.57Å; S441-I486 VanDerWaalsContact CA-O 3.27Å; S441-I486 WeakPolarHBondContact CA-O 3.31Å; S441-R488 VanDerWaalsContact C-NH1 3.26Å; S441-R488 PolarHBondContact O-NH1 3.45Å
442	V	97.9	Very high	96.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.8	-32.4	170.8	169.4	0	0	0	0	111.1	D444 Q445 L446 L452 Y460 G483 I486 R488 V494 M551	V442-D444 VanDerWaalsContact C-N 3.3Å; V442-D444 PolarHBondContact O-N 2.92Å; V442-Q445 WeakPolarHBondContact O-CB 3.47Å; V442-Q445 PolarHBondContact O-N 3.37Å; V442-Q445 VanDerWaalsContact O-N 3.12Å; V442-L446 HydrophobicContact CG1-CD1 4.28Å; V442-L446 HydrophobicContact CG1-CG 4.43Å; V442-L446 WeakPolarHBondContact O-CG 3.34Å; V442-L446 PolarHBondContact O-N 3.5Å; V442-L452 HydrophobicContact CG1-CD1 4.2Å; V442-Y460 HydrophobicContact CG2-CD2 4.05Å; V442-Y460 HydrophobicContact CG2-CE2 4.14Å; V442-G483 PolarHBondContact N-O 3.24Å; V442-G483 VanDerWaalsContact N-O 3.08Å; V442-I486 HydrophobicContact CB-CB 4.17Å; V442-I486 HydrophobicContact CB-CG2 4.46Å; V442-I486 HydrophobicContact CG2-CB 3.83Å; V442-I486 HydrophobicContact CG2-CG2 3.6Å; V442-I486 PolarHBondContact N-O 3.38Å; V442-R488 HydrophobicContact CG2-CG 4.32Å; V442-V494 HydrophobicContact CG2-CG1 3.95Å; V442-M551 HydrophobicContact CG1-CG 3.8Å; V442-M551 HydrophobicContact CG1-SD 4.16Å
443	K	95.9	Very high	96.6	Very high	116 Å²	116	51.6 Å²	51.6	50%	0.504	28%	0.282	S	S	.	.	H	α-helix	trans	-60.8	-37.9	171.3	178	178.8	178.3	-179.1	0	112.4	S441 Q445 L446 K447 G483 A484	S441-K443 PolarHBondContact O-N 3.16Å; S441-K443 PolarHBondContact OG-N 2.96Å; K443-Q445 VanDerWaalsContact C-N 3.31Å; K443-L446 PolarHBondContact O-N 2.78Å; K443-K447 WeakPolarHBondContact O-CB 3.21Å; K443-K447 PolarHBondContact O-N 3.09Å; K443-G483 PolarHBondContact N-O 3.2Å; K443-A484 HydrophobicContact CB-CB 4.21Å; K443-A484 HydrophobicContact CD-CB 3.85Å
444	D	95.3	Very high	96.6	Very high	84 Å²	84	53.5 Å²	53.5	45%	0.449	29%	0.291	S	S	.	.	H	α-helix	trans	-68.7	-33.2	175.5	-54.7	-52.1	0	0	0	111.5	S441 V442 A448	S441-D444 WeakPolarHBondContact CA-OD2 3.35Å; S441-D444 VanDerWaalsContact CB-OD2 3.28Å; S441-D444 WeakPolarHBondContact CB-OD2 3.19Å; S441-D444 PolarHBondContact N-OD2 2.85Å; S441-D444 WeakPolarHBondContact O-CB 3.5Å; S441-D444 PolarHBondContact O-N 2.88Å; S441-D444 VanDerWaalsContact O-N 3.07Å; S441-D444 PolarHBondContact OG-N 3.14Å; S441-D444 VanDerWaalsContact OG-N 3.14Å; S441-D444 PolarHBondContact OG-OD2 3.21Å; V442-D444 VanDerWaalsContact C-N 3.3Å; V442-D444 PolarHBondContact O-N 2.92Å; D444-A448 VanDerWaalsContact O-CB 3.28Å; D444-A448 WeakPolarHBondContact O-CB 3.3Å; D444-A448 PolarHBondContact O-N 3.35Å; D444-A448 VanDerWaalsContact O-N 3.07Å
445	Q	96.8	Very high	96.5	Very high	30 Å²	30	58.2 Å²	58.2	14%	0.14	32%	0.316	C	S	.	.	H	α-helix	trans	-66.2	-47.6	173.3	-169.9	178.1	-0.5	0	0	111.7	S441 V442 K443 K447 A448 Y449 L452 R488	S441-Q445 PolarHBondContact O-N 2.78Å; V442-Q445 WeakPolarHBondContact O-CB 3.47Å; V442-Q445 PolarHBondContact O-N 3.37Å; V442-Q445 VanDerWaalsContact O-N 3.12Å; K443-Q445 VanDerWaalsContact C-N 3.31Å; Q445-K447 VanDerWaalsContact C-N 3.31Å; Q445-K447 PolarHBondContact O-N 3.32Å; Q445-A448 PolarHBondContact O-N 2.92Å; Q445-A448 VanDerWaalsContact O-N 3.11Å; Q445-Y449 HydrophobicContact CG-CD2 4.02Å; Q445-Y449 PolarHBondContact O-N 3.48Å; Q445-L452 HydrophobicContact CG-CD2 4Å; Q445-R488 VanDerWaalsContact OE1-NE 3.1Å
446	L	97.5	Very high	96.5	Very high	10 Å²	10	58.7 Å²	58.7	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-60	-41.8	176.3	-68.7	170.7	0	0	0	111.3	V442 K443 A448 G450 L452 E550 E554	V442-L446 HydrophobicContact CG1-CD1 4.28Å; V442-L446 HydrophobicContact CG1-CG 4.43Å; V442-L446 WeakPolarHBondContact O-CG 3.34Å; V442-L446 PolarHBondContact O-N 3.5Å; K443-L446 PolarHBondContact O-N 2.78Å; L446-A448 VanDerWaalsContact C-N 3.3Å; L446-A448 PolarHBondContact O-N 2.86Å; L446-G450 WeakPolarHBondContact CD2-O 3.33Å; L446-G450 WeakPolarHBondContact O-CA 3.32Å; L446-G450 PolarHBondContact O-N 2.79Å; L446-L452 HydrophobicContact CD2-CD2 4.19Å; L446-L452 HydrophobicContact CD2-CG 3.92Å; L446-E550 HydrophobicContact CD1-CG 3.81Å; L446-E550 WeakPolarHBondContact CD1-O 3.46Å; L446-E554 HydrophobicContact CD2-CG 4.43Å
447	K	96.3	Very high	96.6	Very high	186 Å²	186	56.5 Å²	56.5	81%	0.809	31%	0.313	S	S	*	.	H	α-helix	trans	-64	-31.5	175.2	-173.5	-177	175.1	-169.7	0	113.3	K443 Q445	K443-K447 WeakPolarHBondContact O-CB 3.21Å; K443-K447 PolarHBondContact O-N 3.09Å; Q445-K447 VanDerWaalsContact C-N 3.31Å; Q445-K447 PolarHBondContact O-N 3.32Å
448	A	96.3	Very high	96.6	Very high	67 Å²	67	56.9 Å²	56.9	55%	0.554	31%	0.314	S	S	*	.	H	α-helix	trans	-93.2	-29	-175.1	0	0	0	0	0	114.4	D444 Q445 L446	D444-A448 VanDerWaalsContact O-CB 3.28Å; D444-A448 WeakPolarHBondContact O-CB 3.3Å; D444-A448 PolarHBondContact O-N 3.35Å; D444-A448 VanDerWaalsContact O-N 3.07Å; Q445-A448 PolarHBondContact O-N 2.92Å; Q445-A448 VanDerWaalsContact O-N 3.11Å; L446-A448 VanDerWaalsContact C-N 3.3Å; L446-A448 PolarHBondContact O-N 2.86Å
449	Y	96.3	Very high	96.6	Very high	191 Å²	191	56.7 Å²	56.7	75%	0.749	31%	0.307	S	S	*	.	H	α-helix	trans	-132	-2	-169.6	-57.7	-74.6	0	0	0	114.6	Q445	Q445-Y449 HydrophobicContact CG-CD2 4.02Å; Q445-Y449 PolarHBondContact O-N 3.48Å
450	G	97.4	Very high	96.8	Very high	17 Å²	17	56 Å²	56	18%	0.175	30%	0.296	C	S	.	.			trans	75	-164	-175	0	0	0	0	0	113.7	L446 E554	L446-G450 WeakPolarHBondContact CD2-O 3.33Å; L446-G450 WeakPolarHBondContact O-CA 3.32Å; L446-G450 PolarHBondContact O-N 2.79Å; G450-E554 WeakPolarHBondContact CA-OE1 3.14Å
451	A	97.3	Very high	96.9	Very high	46 Å²	46	54.8 Å²	54.8	38%	0.38	28%	0.284	S	S	.	.	S	Bend	trans	-57.4	139.1	-173.9	0	0	0	0	0	113.2	E554	A451-E554 HydrophobicContact CB-CG 4Å; A451-E554 PolarHBondContact N-OE1 3.45Å
452	L	97.5	Very high	97	Very high	16 Å²	16	57.5 Å²	57.5	8%	0.084	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-74.9	141.4	174.9	-52.1	-172	0	0	0	110.2	V442 Q445 L446 V456 Y460 M551	V442-L452 HydrophobicContact CG1-CD1 4.2Å; Q445-L452 HydrophobicContact CG-CD2 4Å; L446-L452 HydrophobicContact CD2-CD2 4.19Å; L446-L452 HydrophobicContact CD2-CG 3.92Å; L452-V456 HydrophobicContact CB-CB 4.37Å; L452-V456 HydrophobicContact CB-CG1 4.4Å; L452-V456 HydrophobicContact CD1-CG1 4.05Å; L452-Y460 HydrophobicContact CD1-CD2 3.73Å; L452-Y460 HydrophobicContact CD1-CE2 3.79Å; L452-M551 WeakPolarHBondContact CB-O 3.4Å; L452-M551 HydrophobicContact CD1-CB 4.05Å; L452-M551 HydrophobicContact CD1-CG 3.82Å; L452-M551 HydrophobicContact CD1-SD 3.93Å; L452-M551 HydrophobicContact CG-CB 4.39Å; L452-M551 PolarHBondContact N-O 2.75Å
453	T	96.6	Very high	97	Very high	94 Å²	94	58.1 Å²	58.1	58%	0.577	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-63.7	148.2	170.9	67.5	0	0	0	0	109.9	N455 V456 T457	T453-N455 PolarHBondContact O-N 3.37Å; T453-V456 PolarHBondContact O-N 3.34Å; T453-T457 PolarHBondContact O-N 3.23Å; T453-T457 PolarHBondContact O-OG1 3.18Å
454	E	96.3	Very high	97.2	Very high	39 Å²	39	52.7 Å²	52.7	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-54.6	-31.8	-175.8	-168.5	-172.3	112.3	0	0	112.6	T457 R458 L552 S584 F612	E454-T457 PolarHBondContact O-N 3.05Å; E454-R458 WeakPolarHBondContact O-CB 3.24Å; E454-R458 PolarHBondContact O-N 3.4Å; E454-R458 IonicContact OE1-CZ 3.51Å; E454-R458 IonicContact OE1-NH1 3.33Å; E454-R458 PolarHBondContact OE1-NH1 2.72Å; E454-R458 IonicContact OE1-NH2 2.81Å; E454-R458 PolarHBondContact OE1-NH2 3.11Å; E454-L552 HydrophobicContact CB-CD2 4.32Å; E454-L552 HydrophobicContact CG-CD2 4.44Å; E454-S584 VanDerWaalsContact CD-OG 3.22Å; E454-S584 WeakPolarHBondContact OE1-CB 3.33Å; E454-S584 PolarHBondContact OE1-OG 3.27Å; E454-S584 WeakPolarHBondContact OE2-CB 3.47Å; E454-S584 PolarHBondContact OE2-N 2.94Å; E454-S584 PolarHBondContact OE2-OG 3.26Å; E454-F612 HydrophobicContact CG-CE2 3.75Å; E454-F612 HydrophobicContact CG-CZ 4.36Å
455	N	95.4	Very high	97.3	Very high	110 Å²	110	48.7 Å²	48.7	59%	0.588	25%	0.251	S	S	*	.	H	α-helix	trans	-68.8	-36.8	177.5	-160.1	40.9	0	0	0	113.5	T453 K459	T453-N455 PolarHBondContact O-N 3.37Å; N455-K459 PolarHBondContact O-N 2.91Å
456	V	96.6	Very high	97.4	Very high	47 Å²	47	49.4 Å²	49.4	29%	0.285	25%	0.254	S	S	.	.	H	α-helix	trans	-70.6	-43.1	173	179.6	0	0	0	0	109.8	L452 T453 R458 K459 Y460	L452-V456 HydrophobicContact CB-CB 4.37Å; L452-V456 HydrophobicContact CB-CG1 4.4Å; L452-V456 HydrophobicContact CD1-CG1 4.05Å; T453-V456 PolarHBondContact O-N 3.34Å; V456-R458 VanDerWaalsContact C-N 3.31Å; V456-R458 PolarHBondContact O-N 2.86Å; V456-K459 PolarHBondContact O-N 3.3Å; V456-Y460 HydrophobicContact CG1-CD1 4.44Å; V456-Y460 HydrophobicContact CG1-CD2 4.07Å; V456-Y460 HydrophobicContact CG1-CE1 4.06Å; V456-Y460 HydrophobicContact CG1-CE2 3.67Å; V456-Y460 HydrophobicContact CG1-CG 4.43Å; V456-Y460 PolarHBondContact O-N 3.42Å
457	T	97.7	Very high	97.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-43.9	173.1	-59.7	0	0	0	0	111.7	T453 E454 Y460 T461 V548 M551 L552 F612	T453-T457 PolarHBondContact O-N 3.23Å; T453-T457 PolarHBondContact O-OG1 3.18Å; E454-T457 PolarHBondContact O-N 3.05Å; T457-Y460 PolarHBondContact O-N 2.7Å; T457-T461 VanDerWaalsContact O-CB 3.24Å; T457-T461 WeakPolarHBondContact O-CB 3.23Å; T457-T461 PolarHBondContact O-N 3.11Å; T457-T461 PolarHBondContact O-OG1 3.04Å; T457-V548 HydrophobicContact CG2-CG1 3.92Å; T457-M551 HydrophobicContact CG2-CB 3.94Å; T457-M551 HydrophobicContact CG2-CE 4.07Å; T457-L552 HydrophobicContact CG2-CD1 4.41Å; T457-L552 HydrophobicContact CG2-CD2 4.04Å; T457-L552 HydrophobicContact CG2-CG 3.97Å; T457-F612 HydrophobicContact CG2-CZ 4.21Å
458	R	97.4	Very high	97.5	Very high	18 Å²	18	40.1 Å²	40.1	7%	0.068	21%	0.213	C	C	.	.	H	α-helix	trans	-57.8	-50.7	174	161.8	175.3	-63.3	104	1	111.8	E454 V456 Y460 T461 R462 Q586 F612 Q614	E454-R458 WeakPolarHBondContact O-CB 3.24Å; E454-R458 PolarHBondContact O-N 3.4Å; E454-R458 IonicContact OE1-CZ 3.51Å; E454-R458 IonicContact OE1-NH1 3.33Å; E454-R458 PolarHBondContact OE1-NH1 2.72Å; E454-R458 IonicContact OE1-NH2 2.81Å; E454-R458 PolarHBondContact OE1-NH2 3.11Å; V456-R458 VanDerWaalsContact C-N 3.31Å; V456-R458 PolarHBondContact O-N 2.86Å; R458-Y460 PolarHBondContact O-N 2.93Å; R458-T461 PolarHBondContact O-N 2.76Å; R458-R462 PolarHBondContact O-N 2.88Å; R458-Q586 VanDerWaalsContact NH2-OE1 3.08Å; R458-F612 HydrophobicContact CB-CZ 4.48Å; R458-F612 VanDerWaalsContact CG-O 3.25Å; R458-F612 WeakPolarHBondContact CG-O 3.33Å; R458-F612 PolarHBondContact NE-O 2.85Å; R458-Q614 WeakPolarHBondContact CD-O 3.25Å
459	K	97.4	Very high	97.6	Very high	62 Å²	62	38.3 Å²	38.3	27%	0.27	20%	0.197	S	C	.	.	H	α-helix	trans	-55.6	-50.9	175.4	-174.1	-169.4	175.1	-170.3	0	110.8	N455 V456 R462 Q463 G492 N493	N455-K459 PolarHBondContact O-N 2.91Å; V456-K459 PolarHBondContact O-N 3.3Å; K459-R462 PolarHBondContact O-N 3.48Å; K459-Q463 WeakPolarHBondContact O-CB 3.49Å; K459-Q463 WeakPolarHBondContact O-CG 3.45Å; K459-Q463 PolarHBondContact O-N 2.94Å; K459-G492 PolarHBondContact NZ-O 3.09Å; K459-N493 VanDerWaalsContact CE-OD1 3.31Å; K459-N493 WeakPolarHBondContact CE-OD1 3.32Å; K459-N493 PolarHBondContact NZ-OD1 2.97Å
460	Y	98.4	Very high	97.7	Very high	11 Å²	11	31.6 Å²	31.6	4%	0.043	17%	0.17	C	C	.	.	H	α-helix	trans	-69.1	-40.1	-176.4	-68.2	-2.1	0	0	0	112.1	V442 L452 V456 T457 R458 R462 Q463 I464 R488 G492 V494 M551	V442-Y460 HydrophobicContact CG2-CD2 4.05Å; V442-Y460 HydrophobicContact CG2-CE2 4.14Å; L452-Y460 HydrophobicContact CD1-CD2 3.73Å; L452-Y460 HydrophobicContact CD1-CE2 3.79Å; V456-Y460 HydrophobicContact CG1-CD1 4.44Å; V456-Y460 HydrophobicContact CG1-CD2 4.07Å; V456-Y460 HydrophobicContact CG1-CE1 4.06Å; V456-Y460 HydrophobicContact CG1-CE2 3.67Å; V456-Y460 HydrophobicContact CG1-CG 4.43Å; V456-Y460 PolarHBondContact O-N 3.42Å; T457-Y460 PolarHBondContact O-N 2.7Å; R458-Y460 PolarHBondContact O-N 2.93Å; Y460-R462 VanDerWaalsContact C-N 3.33Å; Y460-R462 PolarHBondContact O-N 3.26Å; Y460-Q463 PolarHBondContact O-N 3.45Å; Y460-I464 WeakPolarHBondContact O-CB 3.48Å; Y460-I464 WeakPolarHBondContact O-CD1 3.38Å; Y460-I464 WeakPolarHBondContact O-CG1 3.23Å; Y460-I464 PolarHBondContact O-N 2.83Å; Y460-R488 VanDerWaalsContact OH-CD 3.27Å; Y460-R488 WeakPolarHBondContact OH-CD 3.47Å; Y460-G492 WeakPolarHBondContact CE1-O 3.3Å; Y460-V494 HydrophobicContact CD1-CB 4.48Å; Y460-V494 HydrophobicContact CD1-CG1 3.67Å; Y460-V494 HydrophobicContact CD1-CG2 4.04Å; Y460-V494 HydrophobicContact CD2-CG1 3.79Å; Y460-V494 HydrophobicContact CE1-CG1 3.9Å; Y460-V494 HydrophobicContact CE2-CG1 4Å; Y460-V494 HydrophobicContact CG-CG1 3.64Å; Y460-V494 HydrophobicContact CG-CG2 4.13Å; Y460-M551 HydrophobicContact CD2-SD 3.94Å; Y460-M551 HydrophobicContact CG-SD 4.39Å
461	T	98.6	Very high	97.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-56.4	-47	174.7	-58.3	0	0	0	0	111	T457 R458 I464 L465 L544 V548 F590 F612	T457-T461 VanDerWaalsContact O-CB 3.24Å; T457-T461 WeakPolarHBondContact O-CB 3.23Å; T457-T461 PolarHBondContact O-N 3.11Å; T457-T461 PolarHBondContact O-OG1 3.04Å; R458-T461 PolarHBondContact O-N 2.76Å; T461-I464 PolarHBondContact O-N 3.25Å; T461-L465 HydrophobicContact CG2-CD1 4.07Å; T461-L465 WeakPolarHBondContact O-CB 3.34Å; T461-L465 VanDerWaalsContact O-CG 3.28Å; T461-L465 WeakPolarHBondContact O-CG 3.48Å; T461-L465 PolarHBondContact O-N 3.45Å; T461-L544 HydrophobicContact CG2-CD1 4.46Å; T461-V548 HydrophobicContact CG2-CG2 3.83Å; T461-V548 VanDerWaalsContact OG1-CG2 3.31Å; T461-V548 WeakPolarHBondContact OG1-CG2 3.38Å; T461-F590 HydrophobicContact CG2-CE1 3.71Å; T461-F590 HydrophobicContact CG2-CE2 4.14Å; T461-F590 HydrophobicContact CG2-CZ 3.36Å; T461-F612 HydrophobicContact CG2-CD1 4.33Å; T461-F612 HydrophobicContact CG2-CE1 4.09Å
462	R	98.4	Very high	97.6	Very high	63 Å²	63	29.2 Å²	29.2	24%	0.238	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-49.3	175.9	-170.7	-163.7	174.6	89.9	0.4	111.9	R458 K459 Y460 I464 L465 E466 L608 S613	R458-R462 PolarHBondContact O-N 2.88Å; K459-R462 PolarHBondContact O-N 3.48Å; Y460-R462 VanDerWaalsContact C-N 3.33Å; Y460-R462 PolarHBondContact O-N 3.26Å; R462-I464 VanDerWaalsContact C-N 3.3Å; R462-I464 PolarHBondContact O-N 2.99Å; R462-L465 WeakPolarHBondContact O-CB 3.48Å; R462-L465 PolarHBondContact O-N 2.76Å; R462-L465 VanDerWaalsContact O-N 3.14Å; R462-E466 WeakPolarHBondContact CD-OE1 3.45Å; R462-E466 IonicContact CZ-OE1 3.17Å; R462-E466 IonicContact NE-OE1 2.72Å; R462-E466 PolarHBondContact NE-OE1 3.2Å; R462-E466 IonicContact NH2-OE1 3.51Å; R462-E466 WeakPolarHBondContact O-CG 3.31Å; R462-E466 PolarHBondContact O-N 2.82Å; R462-L608 HydrophobicContact CG-CD2 4.1Å; R462-S613 WeakPolarHBondContact CD-O 3.42Å; R462-S613 WeakPolarHBondContact CG-O 3.48Å; R462-S613 PolarHBondContact NH1-O 3.07Å
463	Q	98.5	Very high	97.5	Very high	14 Å²	14	32.5 Å²	32.5	7%	0.065	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-34.2	-179.3	-74.4	-170.2	-26.9	0	0	112.5	R414 K459 Y460 G467 N493 V494	R414-Q463 VanDerWaalsContact CB-O 3.29Å; R414-Q463 WeakPolarHBondContact CB-O 3.14Å; R414-Q463 VanDerWaalsContact CG-O 3.25Å; R414-Q463 WeakPolarHBondContact CG-O 3.32Å; K459-Q463 WeakPolarHBondContact O-CB 3.49Å; K459-Q463 WeakPolarHBondContact O-CG 3.45Å; K459-Q463 PolarHBondContact O-N 2.94Å; Y460-Q463 PolarHBondContact O-N 3.45Å; Q463-G467 PolarHBondContact O-N 2.93Å; Q463-N493 PolarHBondContact NE2-OD1 3.19Å; Q463-N493 VanDerWaalsContact OE1-CA 3.27Å; Q463-V494 HydrophobicContact CB-CG2 3.44Å; Q463-V494 VanDerWaalsContact CB-CG2 3.44Å; Q463-V494 HydrophobicContact CG-CG2 4.5Å
464	I	98.6	Very high	97.4	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-67.3	-47.2	171	-67.2	160.5	0	0	0	110.7	Y460 T461 R462 E466 G467 M468 I486 V494 L496 L544 M551	Y460-I464 WeakPolarHBondContact O-CB 3.48Å; Y460-I464 WeakPolarHBondContact O-CD1 3.38Å; Y460-I464 WeakPolarHBondContact O-CG1 3.23Å; Y460-I464 PolarHBondContact O-N 2.83Å; T461-I464 PolarHBondContact O-N 3.25Å; R462-I464 VanDerWaalsContact C-N 3.3Å; R462-I464 PolarHBondContact O-N 2.99Å; I464-E466 VanDerWaalsContact C-N 3.34Å; I464-E466 PolarHBondContact O-N 3.29Å; I464-G467 CarbonylContact O-C 3.59Å; I464-G467 PolarHBondContact O-N 3.4Å; I464-G467 VanDerWaalsContact O-N 3.11Å; I464-M468 HydrophobicContact CG2-CG 4.12Å; I464-M468 HydrophobicContact CG2-SD 3.68Å; I464-M468 WeakPolarHBondContact O-CG 3.45Å; I464-M468 PolarHBondContact O-N 2.83Å; I464-I486 HydrophobicContact CD1-CD1 3.93Å; I464-I486 HydrophobicContact CD1-CG1 3.89Å; I464-I486 HydrophobicContact CD1-CG2 4Å; I464-I486 HydrophobicContact CG1-CD1 3.96Å; I464-I486 HydrophobicContact CG1-CG1 4.34Å; I464-I486 HydrophobicContact CG1-CG2 4.07Å; I464-V494 HydrophobicContact CG1-CG2 4.12Å; I464-L496 HydrophobicContact CG2-CD2 4.07Å; I464-L544 HydrophobicContact CB-CD1 4.26Å; I464-L544 HydrophobicContact CD1-CD1 4.42Å; I464-L544 HydrophobicContact CG2-CD1 3.73Å; I464-M551 HydrophobicContact CD1-CE 4.17Å
465	L	98.6	Very high	97.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-40.3	178.2	-79.4	169	0	0	0	112.9	T461 R462 G467 M468 S469 L544 F590 A604 L607 L608	T461-L465 HydrophobicContact CG2-CD1 4.07Å; T461-L465 WeakPolarHBondContact O-CB 3.34Å; T461-L465 VanDerWaalsContact O-CG 3.28Å; T461-L465 WeakPolarHBondContact O-CG 3.48Å; T461-L465 PolarHBondContact O-N 3.45Å; R462-L465 WeakPolarHBondContact O-CB 3.48Å; R462-L465 PolarHBondContact O-N 2.76Å; R462-L465 VanDerWaalsContact O-N 3.14Å; L465-G467 VanDerWaalsContact C-N 3.32Å; L465-G467 PolarHBondContact O-N 3.02Å; L465-M468 PolarHBondContact O-N 2.86Å; L465-S469 WeakPolarHBondContact O-CB 3.46Å; L465-S469 PolarHBondContact O-N 3.26Å; L465-L544 HydrophobicContact CD1-CD2 4.42Å; L465-L544 HydrophobicContact CD2-CD2 3.32Å; L465-L544 HydrophobicContact CG-CD2 3.66Å; L465-F590 HydrophobicContact CD1-CE2 4.11Å; L465-F590 HydrophobicContact CD1-CZ 4.07Å; L465-A604 HydrophobicContact CD2-CB 4.02Å; L465-L607 HydrophobicContact CD1-CB 3.88Å; L465-L607 HydrophobicContact CD2-CB 3.62Å; L465-L607 HydrophobicContact CD2-CD1 4Å; L465-L607 HydrophobicContact CD2-CG 4.49Å; L465-L607 HydrophobicContact CG-CB 4.43Å; L465-L608 HydrophobicContact CB-CD2 3.47Å; L465-L608 VanDerWaalsContact CB-CD2 3.47Å; L465-L608 HydrophobicContact CB-CG 3.82Å; L465-L608 HydrophobicContact CD1-CD2 4.35Å
466	E	98.5	Very high	97	Very high	44 Å²	44	32.9 Å²	32.9	21%	0.206	17%	0.168	C	C	.	.	H	α-helix	trans	-55.4	-47.5	172.1	-77.6	166.7	-173.2	0	0	110.3	H412 R414 R462 I464 Y470 L608	H412-E466 PolarHBondContact CE1-O 3.24Å; R414-E466 HydrophobicContact CG-CB 3.78Å; R414-E466 IonicContact CZ-OE2 2.7Å; R414-E466 IonicContact NE-OE2 3.63Å; R414-E466 PolarHBondContact NE-OE2 3.24Å; R414-E466 IonicContact NH2-OE2 3.67Å; R462-E466 WeakPolarHBondContact CD-OE1 3.45Å; R462-E466 IonicContact CZ-OE1 3.17Å; R462-E466 IonicContact NE-OE1 2.72Å; R462-E466 PolarHBondContact NE-OE1 3.2Å; R462-E466 IonicContact NH2-OE1 3.51Å; R462-E466 WeakPolarHBondContact O-CG 3.31Å; R462-E466 PolarHBondContact O-N 2.82Å; I464-E466 VanDerWaalsContact C-N 3.34Å; I464-E466 PolarHBondContact O-N 3.29Å; E466-Y470 PolarHBondContact O-N 3.03Å; E466-L608 HydrophobicContact CG-CD2 3.96Å
467	G	98.3	Very high	96.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.7	-43.5	175.3	0	0	0	0	0	114	Q463 I464 L465 S469 Y470 L471	Q463-G467 PolarHBondContact O-N 2.93Å; I464-G467 CarbonylContact O-C 3.59Å; I464-G467 PolarHBondContact O-N 3.4Å; I464-G467 VanDerWaalsContact O-N 3.11Å; L465-G467 VanDerWaalsContact C-N 3.32Å; L465-G467 PolarHBondContact O-N 3.02Å; G467-S469 PolarHBondContact O-N 2.81Å; G467-Y470 PolarHBondContact O-N 2.84Å; G467-L471 PolarHBondContact O-N 2.87Å
468	M	98.2	Very high	96.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-44.5	177	-72.7	172.3	60.3	0	0	111.6	I464 L465 Y470 L471 H472 I481 L496 D540 V541 L544 A604	I464-M468 HydrophobicContact CG2-CG 4.12Å; I464-M468 HydrophobicContact CG2-SD 3.68Å; I464-M468 WeakPolarHBondContact O-CG 3.45Å; I464-M468 PolarHBondContact O-N 2.83Å; L465-M468 PolarHBondContact O-N 2.86Å; M468-Y470 VanDerWaalsContact C-N 3.29Å; M468-Y470 PolarHBondContact O-N 2.89Å; M468-L471 PolarHBondContact O-N 2.83Å; M468-H472 VanDerWaalsContact O-CB 3.26Å; M468-H472 WeakPolarHBondContact O-CB 3.49Å; M468-H472 PolarHBondContact O-CD2 2.82Å; M468-H472 VanDerWaalsContact O-CD2 3.3Å; M468-H472 PolarHBondContact O-N 2.98Å; M468-I481 HydrophobicContact CE-CD1 4.03Å; M468-I481 HydrophobicContact CG-CD1 3.71Å; M468-I481 HydrophobicContact SD-CD1 3.66Å; M468-L496 HydrophobicContact CG-CD1 3.99Å; M468-D540 HydrophobicContact CE-CB 4Å; M468-V541 HydrophobicContact CE-CB 4.48Å; M468-V541 HydrophobicContact CE-CG2 3.83Å; M468-L544 HydrophobicContact CE-CB 4.15Å; M468-L544 HydrophobicContact CE-CD2 4.22Å; M468-L544 HydrophobicContact SD-CB 3.93Å; M468-L544 HydrophobicContact SD-CD2 3.83Å; M468-L544 HydrophobicContact SD-CG 4.3Å; M468-A604 HydrophobicContact CB-CB 3.87Å; M468-A604 HydrophobicContact CE-CB 4.42Å
469	S	98.2	Very high	96.1	Very high	29 Å²	29	35.3 Å²	35.3	20%	0.203	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-39.8	177.6	-165.3	0	0	0	0	111.5	L465 G467 S473	L465-S469 WeakPolarHBondContact O-CB 3.46Å; L465-S469 PolarHBondContact O-N 3.26Å; G467-S469 PolarHBondContact O-N 2.81Å; S469-S473 WeakPolarHBondContact O-CB 3.35Å; S469-S473 PolarHBondContact O-N 3.34Å; S469-S473 PolarHBondContact O-OG 2.85Å
470	Y	98.1	Very high	95.8	Very high	50 Å²	50	33.8 Å²	33.8	20%	0.196	17%	0.169	C	C	.	.	H	α-helix	trans	-66.3	-44.3	174.4	177.8	-89.1	0	0	0	113.1	L410 H411 H412 I415 E466 G467 M468 S473 N474	L410-Y470 HydrophobicContact CB-CE1 4.1Å; L410-Y470 HydrophobicContact CD2-CE1 4Å; H411-Y470 PolarHBondContact N-OH 2.85Å; H411-Y470 PolarHBondContact O-OH 3.13Å; H412-Y470 HydrophobicContact CB-CD1 3.72Å; H412-Y470 HydrophobicContact CB-CD2 3.91Å; H412-Y470 HydrophobicContact CB-CE1 3.82Å; H412-Y470 HydrophobicContact CB-CE2 3.99Å; H412-Y470 HydrophobicContact CB-CG 3.77Å; H412-Y470 AromaticContact CD2-CD2 3.62Å; H412-Y470 AromaticContact CD2-CG 3.85Å; H412-Y470 AromaticContact CG-CD2 3.8Å; H412-Y470 AromaticContact CG-CG 3.63Å; I415-Y470 HydrophobicContact CG1-CD1 3.94Å; I415-Y470 HydrophobicContact CG1-CE1 4.45Å; E466-Y470 PolarHBondContact O-N 3.03Å; G467-Y470 PolarHBondContact O-N 2.84Å; M468-Y470 VanDerWaalsContact C-N 3.29Å; M468-Y470 PolarHBondContact O-N 2.89Å; Y470-S473 PolarHBondContact O-OG 3.38Å; Y470-N474 PolarHBondContact O-N 3.46Å; Y470-N474 PolarHBondContact O-ND2 3.3Å
471	L	96.3	Very high	95.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-45.1	175.1	-69.6	177.4	0	0	0	111.1	L410 I415 G467 M468 S473 N474 M475 I476 H478 L496 F499	L410-L471 HydrophobicContact CD1-CD2 4.21Å; I415-L471 HydrophobicContact CD1-CD1 3.89Å; I415-L471 HydrophobicContact CD1-CD2 3.99Å; I415-L471 HydrophobicContact CD1-CG 3.68Å; G467-L471 PolarHBondContact O-N 2.87Å; M468-L471 PolarHBondContact O-N 2.83Å; L471-S473 PolarHBondContact O-N 2.69Å; L471-N474 CarbonylContact O-C 3.59Å; L471-N474 PolarHBondContact O-N 3.32Å; L471-M475 PolarHBondContact O-N 3.05Å; L471-I476 CarbonylContact C-O 3.6Å; L471-I476 HydrophobicContact CB-CB 4.27Å; L471-I476 HydrophobicContact CB-CG2 4.35Å; L471-I476 HydrophobicContact CD2-CB 4.38Å; L471-I476 HydrophobicContact CD2-CD1 4.47Å; L471-I476 HydrophobicContact CD2-CG2 4.09Å; L471-I476 WeakPolarHBondContact O-CA 3.13Å; L471-I476 WeakPolarHBondContact O-CB 3.48Å; L471-I476 PolarHBondContact O-N 2.86Å; L471-H478 HydrophobicContact CD1-CB 4.26Å; L471-L496 HydrophobicContact CD1-CD1 4.34Å; L471-F499 HydrophobicContact CD1-CB 4.02Å; L471-F499 HydrophobicContact CD1-CD2 4.47Å; L471-F499 HydrophobicContact CD1-CG 4.2Å; L471-F499 HydrophobicContact CD2-CD2 3.88Å; L471-F499 HydrophobicContact CD2-CE2 4.09Å; L471-F499 HydrophobicContact CD2-CG 4.35Å
472	H	96.1	Very high	95.5	Very high	13 Å²	13	35 Å²	35	6%	0.06	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-40.1	-176.2	-74.4	-166.9	0	0	0	111.9	M468 N474 M475 I476 R537 D540	M468-H472 VanDerWaalsContact O-CB 3.26Å; M468-H472 WeakPolarHBondContact O-CB 3.49Å; M468-H472 PolarHBondContact O-CD2 2.82Å; M468-H472 VanDerWaalsContact O-CD2 3.3Å; M468-H472 PolarHBondContact O-N 2.98Å; H472-N474 VanDerWaalsContact C-N 3.33Å; H472-M475 PolarHBondContact O-N 3.34Å; H472-M475 VanDerWaalsContact O-N 3.09Å; H472-I476 WeakPolarHBondContact CA-O 3.48Å; H472-I476 PolarHBondContact CD2-O 2.94Å; H472-R537 HydrophobicContact CB-CG 4.25Å; H472-R537 PolarHBondContact CE1-O 3.3Å; H472-R537 VanDerWaalsContact CE1-O 3.26Å; H472-R537 VanDerWaalsContact O-CZ 3.31Å; H472-R537 PolarHBondContact O-NE 2.74Å; H472-R537 VanDerWaalsContact O-NE 3.16Å; H472-R537 PolarHBondContact O-NH2 2.72Å; H472-D540 IonicContact CD2-OD2 2.77Å; H472-D540 IonicContact CE1-OD2 2.7Å; H472-D540 IonicContact NE2-OD2 3.67Å; H472-D540 PolarHBondContact NE2-OD2 3.33Å
473	S	96.3	Very high	95.4	Very high	85 Å²	85	32 Å²	32	59%	0.594	16%	0.163	S	C	*	.	H	α-helix	trans	-66.6	-33.5	175.3	65.1	0	0	0	0	112.5	S469 Y470 L471 M475	S469-S473 WeakPolarHBondContact O-CB 3.35Å; S469-S473 PolarHBondContact O-N 3.34Å; S469-S473 PolarHBondContact O-OG 2.85Å; Y470-S473 PolarHBondContact O-OG 3.38Å; L471-S473 PolarHBondContact O-N 2.69Å; S473-M475 PolarHBondContact O-N 3.15Å; S473-M475 VanDerWaalsContact O-N 3.16Å
474	N	93.3	Very high	95.1	Very high	76 Å²	76	32.8 Å²	32.8	41%	0.406	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	15.4	170.3	-74.2	-82	0	0	0	114	L410 Y470 L471 H472 I476	L410-N474 HydrophobicContact CD2-CB 4.26Å; Y470-N474 PolarHBondContact O-N 3.46Å; Y470-N474 PolarHBondContact O-ND2 3.3Å; L471-N474 CarbonylContact O-C 3.59Å; L471-N474 PolarHBondContact O-N 3.32Å; H472-N474 VanDerWaalsContact C-N 3.33Å; N474-I476 HydrophobicContact CB-CD1 4.36Å; N474-I476 PolarHBondContact O-N 3.28Å
475	M	91.8	Very high	95	Very high	143 Å²	143	33.3 Å²	33.3	70%	0.704	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	13.5	-178.2	-57.2	-64.2	-61.4	0	0	115.2	L471 H472 S473 R537	L471-M475 PolarHBondContact O-N 3.05Å; H472-M475 PolarHBondContact O-N 3.34Å; H472-M475 VanDerWaalsContact O-N 3.09Å; S473-M475 PolarHBondContact O-N 3.15Å; S473-M475 VanDerWaalsContact O-N 3.16Å; M475-R537 PolarHBondContact SD-NH2 3.17Å
476	I	91.4	Very high	94.9	Very high	33 Å²	33	33.3 Å²	33.3	17%	0.169	18%	0.175	C	C	.	.			trans	-91.8	144.4	178.5	-64	164.2	0	0	0	109.7	L407 L410 L471 H472 N474	L407-I476 HydrophobicContact CD2-CD1 3.76Å; L410-I476 HydrophobicContact CD1-CD1 3.54Å; L410-I476 HydrophobicContact CD2-CD1 4.12Å; L410-I476 HydrophobicContact CG-CD1 4.4Å; L471-I476 CarbonylContact C-O 3.6Å; L471-I476 HydrophobicContact CB-CB 4.27Å; L471-I476 HydrophobicContact CB-CG2 4.35Å; L471-I476 HydrophobicContact CD2-CB 4.38Å; L471-I476 HydrophobicContact CD2-CD1 4.47Å; L471-I476 HydrophobicContact CD2-CG2 4.09Å; L471-I476 WeakPolarHBondContact O-CA 3.13Å; L471-I476 WeakPolarHBondContact O-CB 3.48Å; L471-I476 PolarHBondContact O-N 2.86Å; H472-I476 WeakPolarHBondContact CA-O 3.48Å; H472-I476 PolarHBondContact CD2-O 2.94Å; N474-I476 HydrophobicContact CB-CD1 4.36Å; N474-I476 PolarHBondContact O-N 3.28Å
477	V	91.3	Very high	94.9	Very high	22 Å²	22	33 Å²	33	13%	0.133	17%	0.174	C	C	.	.			trans	-121.6	130.6	173.1	-176.3	0	0	0	0	106.2	R479 Y535 R537 D540	V477-R479 HydrophobicContact CG1-CG 4.24Å; V477-Y535 HydrophobicContact CG1-CD1 3.67Å; V477-Y535 HydrophobicContact CG1-CE1 3.83Å; V477-R537 HydrophobicContact CG2-CG 4.16Å; V477-D540 WeakPolarHBondContact CA-OD2 3.46Å; V477-D540 VanDerWaalsContact CG1-OD2 3.29Å; V477-D540 WeakPolarHBondContact CG1-OD2 3.4Å
478	H	93.1	Very high	94.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.			trans	-72.5	-40.4	-168.4	-173.6	-41.6	0	0	0	112.4	L471 D480 I481 G497 F499 G500 D540	L471-H478 HydrophobicContact CD1-CB 4.26Å; H478-D480 VanDerWaalsContact C-N 3.27Å; H478-D480 PolarHBondContact CE1-O 3.05Å; H478-D480 PolarHBondContact O-N 3.26Å; H478-I481 HydrophobicContact CB-CD1 3.95Å; H478-I481 HydrophobicContact CB-CG1 3.76Å; H478-G497 PolarHBondContact CE1-O 3.34Å; H478-G497 PolarHBondContact NE2-O 2.82Å; H478-F499 HydrophobicContact CB-CB 4.33Å; H478-G500 PolarHBondContact O-N 2.93Å; H478-D540 PolarHBondContact N-OD1 3.16Å; H478-D540 PolarHBondContact N-OD2 2.93Å
479	R	90	Very high	94.8	Very high	94 Å²	94	36.1 Å²	36.1	36%	0.355	19%	0.189	S	C	.	.	S	Bend	trans	72.6	-5.9	176.6	-54.9	176.6	-179.2	132.7	2	118.1	V477 G500 Y535 D540	V477-R479 HydrophobicContact CG1-CG 4.24Å; R479-G500 PolarHBondContact NH1-O 3.46Å; R479-Y535 VanDerWaalsContact CA-CZ 3.46Å; R479-Y535 HydrophobicContact CB-CD1 4.38Å; R479-Y535 HydrophobicContact CB-CE1 4.21Å; R479-Y535 HydrophobicContact CB-CE2 4.35Å; R479-Y535 HydrophobicContact CG-CD1 3.84Å; R479-Y535 HydrophobicContact CG-CE1 4.08Å; R479-Y535 HydrophobicContact CG-CG 4.12Å; R479-Y535 PolarHBondContact O-OH 3.35Å; R479-D540 PolarHBondContact N-OD1 2.86Å
480	D	89.8	Confident	94.5	Very high	30 Å²	30	40.4 Å²	40.4	16%	0.16	22%	0.219	C	C	.	.			trans	-153.6	52.3	-174.3	-160.5	25.9	0	0	0	111.8	H478 K482 N485	H478-D480 VanDerWaalsContact C-N 3.27Å; H478-D480 PolarHBondContact CE1-O 3.05Å; H478-D480 PolarHBondContact O-N 3.26Å; D480-K482 PolarHBondContact O-N 3.45Å; D480-K482 VanDerWaalsContact OD1-CE 3.29Å; D480-K482 WeakPolarHBondContact OD1-CE 3.26Å; D480-K482 IonicContact OD1-NZ 2.87Å; D480-K482 PolarHBondContact OD1-NZ 3.05Å; D480-K482 WeakPolarHBondContact OD2-CE 3.34Å; D480-K482 IonicContact OD2-NZ 2.84Å; D480-K482 PolarHBondContact OD2-NZ 3.03Å; D480-N485 PolarHBondContact O-ND2 3.21Å; D480-N485 PolarHBondContact OD2-ND2 3.23Å
481	I	95.3	Very high	94.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.237	C	C	.	.			trans	-82.7	115.9	178	-58.6	-174.3	0	0	0	109.6	M468 H478 I486 L496 D540 S543 T547	M468-I481 HydrophobicContact CE-CD1 4.03Å; M468-I481 HydrophobicContact CG-CD1 3.71Å; M468-I481 HydrophobicContact SD-CD1 3.66Å; H478-I481 HydrophobicContact CB-CD1 3.95Å; H478-I481 HydrophobicContact CB-CG1 3.76Å; I481-I486 HydrophobicContact CG2-CD1 4.31Å; I481-L496 HydrophobicContact CG1-CD2 4.47Å; I481-D540 HydrophobicContact CD1-CB 3.8Å; I481-S543 WeakPolarHBondContact O-CB 3.48Å; I481-T547 PolarHBondContact O-OG1 2.97Å
482	K	95.1	Very high	94.1	Very high	36 Å²	36	42.6 Å²	42.6	16%	0.157	25%	0.25	C	C	.	.	S	Bend	trans	-163.9	159.5	-179	61.2	-166.8	175.5	-154.2	0	109.3	D480 A484 N485 I486 W524 T547	D480-K482 PolarHBondContact O-N 3.45Å; D480-K482 VanDerWaalsContact OD1-CE 3.29Å; D480-K482 WeakPolarHBondContact OD1-CE 3.26Å; D480-K482 IonicContact OD1-NZ 2.87Å; D480-K482 PolarHBondContact OD1-NZ 3.05Å; D480-K482 WeakPolarHBondContact OD2-CE 3.34Å; D480-K482 IonicContact OD2-NZ 2.84Å; D480-K482 PolarHBondContact OD2-NZ 3.03Å; K482-A484 HydrophobicContact CD-CB 4.38Å; K482-A484 HydrophobicContact CG-CB 4.11Å; K482-A484 PolarHBondContact O-N 2.92Å; K482-N485 VanDerWaalsContact CE-OD1 3.27Å; K482-N485 WeakPolarHBondContact CE-OD1 3.47Å; K482-N485 HydrophobicContact CG-CB 4.35Å; K482-N485 PolarHBondContact O-N 3.1Å; K482-I486 WeakPolarHBondContact O-CG1 3.48Å; K482-I486 PolarHBondContact O-N 3.12Å; K482-W524 HydrophobicContact CB-CD2 3.82Å; K482-W524 HydrophobicContact CB-CG 3.93Å; K482-W524 HydrophobicContact CB-CZ2 4.01Å; K482-T547 WeakPolarHBondContact CA-OG1 3.14Å
483	G	96.1	Very high	94.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-25	-178.2	0	0	0	0	0	115	S441 V442 K443 N485 E550	S441-G483 WeakPolarHBondContact CB-O 3.44Å; V442-G483 PolarHBondContact N-O 3.24Å; V442-G483 VanDerWaalsContact N-O 3.08Å; K443-G483 PolarHBondContact N-O 3.2Å; G483-N485 VanDerWaalsContact C-N 3.34Å; G483-E550 WeakPolarHBondContact CA-OE1 3.3Å; G483-E550 PolarHBondContact N-OE1 3.36Å; G483-E550 PolarHBondContact N-OE2 3.46Å
484	A	93.5	Very high	94.3	Very high	30 Å²	30	39.3 Å²	39.3	25%	0.248	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-27.4	173.7	0	0	0	0	0	114.3	S441 K443 K482	S441-A484 VanDerWaalsContact CB-O 3.22Å; S441-A484 WeakPolarHBondContact CB-O 3.32Å; K443-A484 HydrophobicContact CB-CB 4.21Å; K443-A484 HydrophobicContact CD-CB 3.85Å; K482-A484 HydrophobicContact CD-CB 4.38Å; K482-A484 HydrophobicContact CG-CB 4.11Å; K482-A484 PolarHBondContact O-N 2.92Å
485	N	95.3	Very high	94.5	Very high	14 Å²	14	37 Å²	37	8%	0.075	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-2.9	-177	-65.2	9.1	0	0	0	112.4	D480 K482 G483 G497	D480-N485 PolarHBondContact O-ND2 3.21Å; D480-N485 PolarHBondContact OD2-ND2 3.23Å; K482-N485 VanDerWaalsContact CE-OD1 3.27Å; K482-N485 WeakPolarHBondContact CE-OD1 3.47Å; K482-N485 HydrophobicContact CG-CB 4.35Å; K482-N485 PolarHBondContact O-N 3.1Å; G483-N485 VanDerWaalsContact C-N 3.34Å; N485-G497 PolarHBondContact O-N 2.99Å
486	I	97.9	Very high	94.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	107.1	168.8	-49.2	-45.7	0	0	0	107.9	S441 V442 I464 I481 K482 V494 L496 T547	S441-I486 CarbonylContact C-O 3.57Å; S441-I486 VanDerWaalsContact CA-O 3.27Å; S441-I486 WeakPolarHBondContact CA-O 3.31Å; V442-I486 HydrophobicContact CB-CB 4.17Å; V442-I486 HydrophobicContact CB-CG2 4.46Å; V442-I486 HydrophobicContact CG2-CB 3.83Å; V442-I486 HydrophobicContact CG2-CG2 3.6Å; V442-I486 PolarHBondContact N-O 3.38Å; I464-I486 HydrophobicContact CD1-CD1 3.93Å; I464-I486 HydrophobicContact CD1-CG1 3.89Å; I464-I486 HydrophobicContact CD1-CG2 4Å; I464-I486 HydrophobicContact CG1-CD1 3.96Å; I464-I486 HydrophobicContact CG1-CG1 4.34Å; I464-I486 HydrophobicContact CG1-CG2 4.07Å; I481-I486 HydrophobicContact CG2-CD1 4.31Å; K482-I486 WeakPolarHBondContact O-CG1 3.48Å; K482-I486 PolarHBondContact O-N 3.12Å; I486-V494 HydrophobicContact CG2-CB 3.51Å; I486-V494 HydrophobicContact CG2-CG1 3.53Å; I486-V494 HydrophobicContact CG2-CG2 4.15Å; I486-L496 HydrophobicContact CD1-CD2 3.36Å; I486-T547 HydrophobicContact CG1-CG2 4.12Å
487	L	97.9	Very high	94.9	Very high	37 Å²	37	28.7 Å²	28.7	19%	0.194	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	145.5	-174.6	-55	-171.3	0	0	0	111.9	V416 M437 G440 V494 K495	V416-L487 HydrophobicContact CG2-CB 4.46Å; V416-L487 HydrophobicContact CG2-CD1 4.16Å; M437-L487 HydrophobicContact CB-CB 3.67Å; M437-L487 HydrophobicContact CB-CD1 4.15Å; M437-L487 HydrophobicContact CE-CB 4.44Å; M437-L487 HydrophobicContact CG-CB 3.73Å; M437-L487 HydrophobicContact CG-CD1 3.97Å; G440-L487 WeakPolarHBondContact O-CA 3.41Å; L487-V494 CarbonylContact O-C 3.6Å; L487-V494 WeakPolarHBondContact O-CA 3.2Å; L487-K495 PolarHBondContact N-O 3.48Å; L487-K495 PolarHBondContact O-N 3.08Å
488	R	97.9	Very high	94.7	Very high	30 Å²	30	29 Å²	29	11%	0.113	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140.3	-175.9	-65.8	-164.8	-44.4	-56.2	0.8	114.6	M437 G439 G440 S441 V442 Q445 Y460 N493 V494	M437-R488 CarbonylContact C-O 3.58Å; M437-R488 VanDerWaalsContact C-O 3.27Å; G439-R488 WeakPolarHBondContact CA-O 3.33Å; G439-R488 PolarHBondContact N-O 2.88Å; G439-R488 PolarHBondContact O-NH1 2.82Å; G439-R488 PolarHBondContact O-NH2 3.35Å; G440-R488 PolarHBondContact O-N 3.41Å; G440-R488 PolarHBondContact O-NH1 2.81Å; S441-R488 VanDerWaalsContact C-NH1 3.26Å; S441-R488 PolarHBondContact O-NH1 3.45Å; V442-R488 HydrophobicContact CG2-CG 4.32Å; Q445-R488 VanDerWaalsContact OE1-NE 3.1Å; Y460-R488 VanDerWaalsContact OH-CD 3.27Å; Y460-R488 WeakPolarHBondContact OH-CD 3.47Å; R488-N493 VanDerWaalsContact CA-O 3.28Å; R488-N493 WeakPolarHBondContact CA-O 3.42Å; R488-V494 HydrophobicContact CG-CG1 3.87Å
489	D	95.6	Very high	94.3	Very high	37 Å²	37	29.1 Å²	29.1	20%	0.198	17%	0.173	C	C	.	.			trans	-84.2	177.5	168.6	70.8	15.5	0	0	0	111.7	M437 A491 G492 N493	M437-D489 HydrophobicContact CE-CB 4.03Å; D489-A491 PolarHBondContact O-N 3.36Å; D489-A491 VanDerWaalsContact OD1-C 3.24Å; D489-A491 WeakPolarHBondContact OD1-CA 3.46Å; D489-A491 PolarHBondContact OD1-N 2.99Å; D489-G492 PolarHBondContact O-N 3.48Å; D489-G492 PolarHBondContact OD1-N 3.22Å; D489-N493 PolarHBondContact N-O 3.45Å; D489-N493 VanDerWaalsContact N-O 3.1Å; D489-N493 PolarHBondContact OD1-N 3.01Å; D489-N493 WeakPolarHBondContact OD2-CB 3.49Å; D489-N493 PolarHBondContact OD2-ND2 3.31Å
490	S	92.7	Very high	93.6	Very high	119 Å²	119	24.7 Å²	24.7	83%	0.832	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.2	176	48.3	0	0	0	0	114.2
491	A	94.2	Very high	93	Very high	71 Å²	71	23.2 Å²	23.2	59%	0.587	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	4.8	175.1	0	0	0	0	0	112.7	D489	D489-A491 PolarHBondContact O-N 3.36Å; D489-A491 VanDerWaalsContact OD1-C 3.24Å; D489-A491 WeakPolarHBondContact OD1-CA 3.46Å; D489-A491 PolarHBondContact OD1-N 2.99Å
492	G	91.9	Very high	91.9	Very high	25 Å²	25	23.7 Å²	23.7	26%	0.258	15%	0.152	S	C	.	.	S	Bend	trans	69	31.6	179.8	0	0	0	0	0	113.6	K459 Y460 D489	K459-G492 PolarHBondContact NZ-O 3.09Å; Y460-G492 WeakPolarHBondContact CE1-O 3.3Å; D489-G492 PolarHBondContact O-N 3.48Å; D489-G492 PolarHBondContact OD1-N 3.22Å
493	N	97	Very high	91	Very high	28 Å²	28	28.4 Å²	28.4	15%	0.15	17%	0.172	C	C	.	.			trans	-97.9	163.7	165.3	-49	-62.1	0	0	0	110.8	K459 Q463 R488 D489	K459-N493 VanDerWaalsContact CE-OD1 3.31Å; K459-N493 WeakPolarHBondContact CE-OD1 3.32Å; K459-N493 PolarHBondContact NZ-OD1 2.97Å; Q463-N493 PolarHBondContact NE2-OD1 3.19Å; Q463-N493 VanDerWaalsContact OE1-CA 3.27Å; R488-N493 VanDerWaalsContact CA-O 3.28Å; R488-N493 WeakPolarHBondContact CA-O 3.42Å; D489-N493 PolarHBondContact N-O 3.45Å; D489-N493 VanDerWaalsContact N-O 3.1Å; D489-N493 PolarHBondContact OD1-N 3.01Å; D489-N493 WeakPolarHBondContact OD2-CB 3.49Å; D489-N493 PolarHBondContact OD2-ND2 3.31Å
494	V	98.5	Very high	90.3	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	149.6	176.8	-68.9	0	0	0	0	113.5	R414 V442 Y460 Q463 I464 I486 L487 R488	R414-V494 WeakPolarHBondContact CD-O 3.4Å; V442-V494 HydrophobicContact CG2-CG1 3.95Å; Y460-V494 HydrophobicContact CD1-CB 4.48Å; Y460-V494 HydrophobicContact CD1-CG1 3.67Å; Y460-V494 HydrophobicContact CD1-CG2 4.04Å; Y460-V494 HydrophobicContact CD2-CG1 3.79Å; Y460-V494 HydrophobicContact CE1-CG1 3.9Å; Y460-V494 HydrophobicContact CE2-CG1 4Å; Y460-V494 HydrophobicContact CG-CG1 3.64Å; Y460-V494 HydrophobicContact CG-CG2 4.13Å; Q463-V494 HydrophobicContact CB-CG2 3.44Å; Q463-V494 VanDerWaalsContact CB-CG2 3.44Å; Q463-V494 HydrophobicContact CG-CG2 4.5Å; I464-V494 HydrophobicContact CG1-CG2 4.12Å; I486-V494 HydrophobicContact CG2-CB 3.51Å; I486-V494 HydrophobicContact CG2-CG1 3.53Å; I486-V494 HydrophobicContact CG2-CG2 4.15Å; L487-V494 CarbonylContact O-C 3.6Å; L487-V494 WeakPolarHBondContact O-CA 3.2Å; R488-V494 HydrophobicContact CG-CG1 3.87Å
495	K	98.5	Very high	89.5	Confident	27 Å²	27	30.6 Å²	30.6	12%	0.117	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153	168.4	-54.8	-163.8	-169.3	-171.4	0	111.5	E413 R414 I415 V416 E435 M437 L487	E413-K495 WeakPolarHBondContact O-CD 3.34Å; E413-K495 WeakPolarHBondContact O-CE 3.35Å; E413-K495 WeakPolarHBondContact O-CG 3.34Å; R414-K495 CarbonylContact O-C 3.48Å; R414-K495 VanDerWaalsContact O-CA 3.27Å; R414-K495 WeakPolarHBondContact O-CA 3.39Å; I415-K495 WeakPolarHBondContact O-CD 3.35Å; V416-K495 HydrophobicContact CG2-CB 3.76Å; E435-K495 IonicContact OE1-NZ 2.76Å; E435-K495 PolarHBondContact OE1-NZ 3.31Å; E435-K495 IonicContact OE2-NZ 3.67Å; E435-K495 PolarHBondContact OE2-NZ 3.44Å; M437-K495 HydrophobicContact CE-CB 3.98Å; M437-K495 HydrophobicContact CE-CD 3.83Å; M437-K495 HydrophobicContact CE-CG 3.64Å; M437-K495 HydrophobicContact SD-CD 4Å; M437-K495 HydrophobicContact SD-CG 4.44Å; L487-K495 PolarHBondContact N-O 3.48Å; L487-K495 PolarHBondContact O-N 3.08Å
496	L	97.8	Very high	88.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.5	172.6	-68	160.5	0	0	0	110.8	R414 I415 V416 I464 M468 L471 I481 I486	R414-L496 PolarHBondContact O-N 2.58Å; I415-L496 HydrophobicContact CD1-CB 4.07Å; I415-L496 HydrophobicContact CD1-CD1 4.05Å; V416-L496 WeakPolarHBondContact CB-O 3.47Å; V416-L496 WeakPolarHBondContact CG2-O 3.42Å; V416-L496 PolarHBondContact N-O 3.39Å; I464-L496 HydrophobicContact CG2-CD2 4.07Å; M468-L496 HydrophobicContact CG-CD1 3.99Å; L471-L496 HydrophobicContact CD1-CD1 4.34Å; I481-L496 HydrophobicContact CG1-CD2 4.47Å; I486-L496 HydrophobicContact CD1-CD2 3.36Å
497	G	94.5	Very high	87.8	Confident	2 Å²	2	35.8 Å²	35.8	2%	0.021	20%	0.202	C	C	.	.			trans	-114.5	169.5	172.5	0	0	0	0	0	112.9	H478 N485 F499	H478-G497 PolarHBondContact CE1-O 3.34Å; H478-G497 PolarHBondContact NE2-O 2.82Å; N485-G497 PolarHBondContact O-N 2.99Å; G497-F499 PolarHBondContact O-N 3.08Å; G497-F499 VanDerWaalsContact O-N 3.13Å
498	D	85.7	Confident	86.8	Confident	30 Å²	30	34.1 Å²	34.1	16%	0.16	19%	0.193	C	C	.	.	S	Bend	trans	56.2	25.4	178	-87.9	-23.2	0	0	0	116.1	K382 S502	K382-D498 IonicContact NZ-OD1 3.11Å; K382-D498 PolarHBondContact NZ-OD1 3.11Å; K382-D498 IonicContact NZ-OD2 2.67Å; K382-D498 PolarHBondContact NZ-OD2 3.34Å; D498-S502 PolarHBondContact O-OG 3.02Å
499	F	85.1	Confident	85.6	Confident	1 Å²	1	33.9 Å²	33.9	0%	0.004	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	144.8	177.3	60.1	-90.9	0	0	0	113.1	L407 L410 I415 Y418 L471 H478 G497 A501	L407-F499 HydrophobicContact CB-CE2 4.17Å; L407-F499 HydrophobicContact CD1-CD2 4.22Å; L407-F499 HydrophobicContact CD1-CE2 4.05Å; L407-F499 HydrophobicContact CD2-CD2 4.33Å; L407-F499 HydrophobicContact CD2-CE2 4.02Å; L407-F499 HydrophobicContact CG-CE2 4.29Å; L410-F499 HydrophobicContact CD1-CE2 3.67Å; L410-F499 HydrophobicContact CD1-CZ 4.28Å; I415-F499 HydrophobicContact CG2-CD1 4.23Å; I415-F499 HydrophobicContact CG2-CE1 3.35Å; I415-F499 HydrophobicContact CG2-CE2 4.32Å; I415-F499 HydrophobicContact CG2-CZ 3.39Å; Y418-F499 HydrophobicContact CD2-CE1 4.12Å; Y418-F499 HydrophobicContact CD2-CE2 4.08Å; Y418-F499 AromaticContact CD2-CZ 3.55Å; Y418-F499 HydrophobicContact CD2-CZ 3.55Å; Y418-F499 HydrophobicContact CE2-CD1 4.26Å; Y418-F499 HydrophobicContact CE2-CD2 4.36Å; Y418-F499 AromaticContact CE2-CE1 3.65Å; Y418-F499 HydrophobicContact CE2-CE1 3.65Å; Y418-F499 AromaticContact CE2-CE2 3.77Å; Y418-F499 HydrophobicContact CE2-CE2 3.77Å; Y418-F499 AromaticContact CE2-CZ 3.39Å; Y418-F499 HydrophobicContact CE2-CZ 3.39Å; L471-F499 HydrophobicContact CD1-CB 4.02Å; L471-F499 HydrophobicContact CD1-CD2 4.47Å; L471-F499 HydrophobicContact CD1-CG 4.2Å; L471-F499 HydrophobicContact CD2-CD2 3.88Å; L471-F499 HydrophobicContact CD2-CE2 4.09Å; L471-F499 HydrophobicContact CD2-CG 4.35Å; H478-F499 HydrophobicContact CB-CB 4.33Å; G497-F499 PolarHBondContact O-N 3.08Å; G497-F499 VanDerWaalsContact O-N 3.13Å; F499-A501 PolarHBondContact O-N 3.22Å
500	G	74.8	Confident	84.5	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.01	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-64	174.3	0	0	0	0	0	114.1	H478 R479 S502	H478-G500 PolarHBondContact O-N 2.93Å; R479-G500 PolarHBondContact NH1-O 3.46Å; G500-S502 PolarHBondContact O-N 3.25Å; G500-S502 VanDerWaalsContact O-N 3.15Å
501	A	77.4	Confident	83.1	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.1	-176	0	0	0	0	0	114.9	L400 I404 F499 K503 R504 L505	L400-A501 HydrophobicContact CD1-CB 3.58Å; I404-A501 HydrophobicContact CD1-CB 4.19Å; F499-A501 PolarHBondContact O-N 3.22Å; A501-K503 VanDerWaalsContact C-N 3.25Å; A501-K503 PolarHBondContact O-N 3.15Å; A501-K503 VanDerWaalsContact O-N 3.12Å; A501-R504 PolarHBondContact O-N 3.07Å; A501-L505 HydrophobicContact CB-CD1 4.11Å; A501-L505 HydrophobicContact CB-CG 4.47Å; A501-L505 WeakPolarHBondContact O-CG 3.13Å; A501-L505 PolarHBondContact O-N 3.1Å
502	S	72.6	Confident	81.1	Confident	9 Å²	9	31.2 Å²	31.2	6%	0.063	18%	0.179	C	C	.	.	H	α-helix	trans	-52.6	-37	-171.6	8.9	0	0	0	0	113.5	D498 G500 Q506	D498-S502 PolarHBondContact O-OG 3.02Å; G500-S502 PolarHBondContact O-N 3.25Å; G500-S502 VanDerWaalsContact O-N 3.15Å; S502-Q506 WeakPolarHBondContact O-CB 3.39Å; S502-Q506 PolarHBondContact O-N 3.06Å
503	K	76.1	Confident	79.1	Confident	135 Å²	135	34.3 Å²	34.3	59%	0.587	19%	0.193	S	C	*	.	H	α-helix	trans	-66.4	-41	177	-177.8	171.8	179.8	174.3	0	113.1	A501 T507	A501-K503 VanDerWaalsContact C-N 3.25Å; A501-K503 PolarHBondContact O-N 3.15Å; A501-K503 VanDerWaalsContact O-N 3.12Å; K503-T507 PolarHBondContact O-N 3.11Å; K503-T507 PolarHBondContact O-OG1 2.8Å
504	R	81.3	Confident	76.4	Confident	76 Å²	76	35.7 Å²	35.7	29%	0.287	21%	0.214	S	C	.	.	H	α-helix	trans	-75.5	-39.9	179.7	-72.4	-170.1	169.9	132.4	-12.8	111.9	E396 A399 L400 E403 A501 Q506 T507 I508	E396-R504 IonicContact OE2-NE 3.59Å; A399-R504 VanDerWaalsContact O-CZ 3.28Å; A399-R504 PolarHBondContact O-NH1 2.9Å; L400-R504 HydrophobicContact CB-CB 4.19Å; L400-R504 HydrophobicContact CD1-CB 4.4Å; E403-R504 IonicContact OE2-CZ 3.57Å; E403-R504 IonicContact OE2-NE 2.69Å; E403-R504 IonicContact OE2-NH1 2.64Å; E403-R504 PolarHBondContact OE2-NH1 2.89Å; A501-R504 PolarHBondContact O-N 3.07Å; R504-Q506 PolarHBondContact O-N 3.2Å; R504-T507 PolarHBondContact O-N 2.82Å; R504-T507 VanDerWaalsContact O-N 3.1Å; R504-I508 WeakPolarHBondContact O-CD1 3.34Å; R504-I508 VanDerWaalsContact O-CG1 3.3Å; R504-I508 WeakPolarHBondContact O-CG1 3.46Å; R504-I508 PolarHBondContact O-N 3.24Å
505	L	77	Confident	73.4	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-52.9	-45.2	170.5	-70.5	171.3	0	0	0	111	F364 V384 L400 I432 A501 I508 C509	F364-L505 HydrophobicContact CB-CB 4.22Å; F364-L505 HydrophobicContact CD1-CB 4.13Å; F364-L505 HydrophobicContact CG-CB 4.18Å; V384-L505 HydrophobicContact CB-CD2 4.48Å; V384-L505 HydrophobicContact CG1-CD2 4.15Å; V384-L505 HydrophobicContact CG2-CD2 3.65Å; L400-L505 HydrophobicContact CD2-CD2 3.65Å; L400-L505 HydrophobicContact CD2-CG 4.11Å; I432-L505 HydrophobicContact CD1-CD2 4.13Å; A501-L505 HydrophobicContact CB-CD1 4.11Å; A501-L505 HydrophobicContact CB-CG 4.47Å; A501-L505 WeakPolarHBondContact O-CG 3.13Å; A501-L505 PolarHBondContact O-N 3.1Å; L505-I508 PolarHBondContact O-N 3.43Å; L505-C509 WeakPolarHBondContact O-CB 3.47Å; L505-C509 PolarHBondContact O-N 3.18Å; L505-C509 PolarHBondContact O-SG 3.16Å
506	Q	78.7	Confident	70.6	Confident	66 Å²	66	48.8 Å²	48.8	31%	0.308	27%	0.27	S	S	.	.	H	α-helix	trans	-59.4	-48.4	174.3	-171.8	175.3	36.7	0	0	112.4	F364 S502 R504 I508 C509 M510 T519	F364-Q506 HydrophobicContact CE1-CB 3.73Å; F364-Q506 HydrophobicContact CE1-CG 4.18Å; F364-Q506 HydrophobicContact CZ-CB 4.41Å; S502-Q506 WeakPolarHBondContact O-CB 3.39Å; S502-Q506 PolarHBondContact O-N 3.06Å; R504-Q506 PolarHBondContact O-N 3.2Å; Q506-I508 PolarHBondContact O-N 3.34Å; Q506-C509 PolarHBondContact O-N 3.35Å; Q506-M510 HydrophobicContact CG-CG 4.32Å; Q506-M510 HydrophobicContact CG-SD 3.63Å; Q506-M510 WeakPolarHBondContact O-CB 2.94Å; Q506-M510 WeakPolarHBondContact O-CG 2.94Å; Q506-M510 PolarHBondContact O-N 2.92Å; Q506-T519 PolarHBondContact NE2-OG1 3.16Å
507	T	78.4	Confident	67.8	Low	57 Å²	57	51.8 Å²	51.8	35%	0.35	29%	0.291	S	S	.	.	H	α-helix	trans	-59.8	-46.4	178.5	-53.1	0	0	0	0	112.4	E396 K503 R504 M510 S511	E396-T507 HydrophobicContact CG-CG2 4Å; K503-T507 PolarHBondContact O-N 3.11Å; K503-T507 PolarHBondContact O-OG1 2.8Å; R504-T507 PolarHBondContact O-N 2.82Å; R504-T507 VanDerWaalsContact O-N 3.1Å; T507-M510 PolarHBondContact O-N 3.28Å; T507-S511 PolarHBondContact O-N 2.89Å; T507-S511 VanDerWaalsContact O-N 3.09Å; T507-S511 PolarHBondContact O-OG 3.14Å
508	I	77	Confident	65.3	Low	2 Å²	2	55.6 Å²	55.6	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-60.2	-49.2	179.9	-65.6	159.5	0	0	0	110.6	V384 F386 T393 E396 V397 L400 R504 L505 Q506 M510 S511 G512	V384-I508 HydrophobicContact CG1-CG2 4.19Å; F386-I508 HydrophobicContact CB-CG2 3.77Å; T393-I508 HydrophobicContact CG2-CG2 4.16Å; E396-I508 HydrophobicContact CB-CD1 4.4Å; E396-I508 HydrophobicContact CB-CG1 3.87Å; V397-I508 HydrophobicContact CB-CD1 4.49Å; V397-I508 HydrophobicContact CG2-CD1 3.83Å; V397-I508 HydrophobicContact CG2-CG1 4.01Å; V397-I508 HydrophobicContact CG2-CG2 4.09Å; L400-I508 HydrophobicContact CB-CD1 4.34Å; L400-I508 HydrophobicContact CD2-CD1 3.63Å; R504-I508 WeakPolarHBondContact O-CD1 3.34Å; R504-I508 VanDerWaalsContact O-CG1 3.3Å; R504-I508 WeakPolarHBondContact O-CG1 3.46Å; R504-I508 PolarHBondContact O-N 3.24Å; L505-I508 PolarHBondContact O-N 3.43Å; Q506-I508 PolarHBondContact O-N 3.34Å; I508-M510 PolarHBondContact O-N 2.86Å; I508-S511 PolarHBondContact O-N 3.02Å; I508-G512 PolarHBondContact O-N 3.31Å
509	C	73.7	Confident	63.2	Low	24 Å²	24	56.4 Å²	56.4	16%	0.162	32%	0.319	C	S	.	.	H	α-helix	trans	-69.5	-29.7	-178.4	-62.2	0	0	0	0	113.4	A363 L505 Q506 T513	A363-C509 WeakPolarHBondContact O-CB 3.48Å; L505-C509 WeakPolarHBondContact O-CB 3.47Å; L505-C509 PolarHBondContact O-N 3.18Å; L505-C509 PolarHBondContact O-SG 3.16Å; Q506-C509 PolarHBondContact O-N 3.35Å; C509-T513 WeakPolarHBondContact O-CG2 3.43Å; C509-T513 PolarHBondContact O-OG1 3.17Å
510	M	70.7	Confident	61.7	Low	55 Å²	55	57.4 Å²	57.4	27%	0.271	33%	0.33	S	S	.	.	H	α-helix	trans	-74.3	-31.6	175.3	-71.7	175.6	88.3	0	0	113	Q506 T507 I508 R516	Q506-M510 HydrophobicContact CG-CG 4.32Å; Q506-M510 HydrophobicContact CG-SD 3.63Å; Q506-M510 WeakPolarHBondContact O-CB 2.94Å; Q506-M510 WeakPolarHBondContact O-CG 2.94Å; Q506-M510 PolarHBondContact O-N 2.92Å; T507-M510 PolarHBondContact O-N 3.28Å; I508-M510 PolarHBondContact O-N 2.86Å; M510-R516 HydrophobicContact CE-CB 3.82Å; M510-R516 HydrophobicContact CE-CG 4.25Å
511	S	63.7	Low	61.3	Low	62 Å²	62	61.8 Å²	61.8	43%	0.434	36%	0.357	S	S	.	.	H	α-helix	trans	-66.4	-48	176.2	-66.8	0	0	0	0	112.1	T393 T507 I508 T513	T393-S511 VanDerWaalsContact OG1-CB 3.3Å; T393-S511 WeakPolarHBondContact OG1-CB 3.35Å; T507-S511 PolarHBondContact O-N 2.89Å; T507-S511 VanDerWaalsContact O-N 3.09Å; T507-S511 PolarHBondContact O-OG 3.14Å; I508-S511 PolarHBondContact O-N 3.02Å; S511-T513 VanDerWaalsContact C-N 3.3Å; S511-T513 PolarHBondContact O-N 2.83Å
512	G	52.8	Low	61.5	Low	55 Å²	55	62 Å²	62	57%	0.567	36%	0.358	S	S	*	.	H	α-helix	trans	-73.6	-12	-173.7	0	0	0	0	0	116	I508	I508-G512 PolarHBondContact O-N 3.31Å
513	T	50.8	Low	62.4	Low	90 Å²	90	63 Å²	63	55%	0.552	36%	0.36	S	S	*	.	H	α-helix	trans	-117.1	-10.3	-171.7	56.9	0	0	0	0	114.6	C509 S511 M515	C509-T513 WeakPolarHBondContact O-CG2 3.43Å; C509-T513 PolarHBondContact O-OG1 3.17Å; S511-T513 VanDerWaalsContact C-N 3.3Å; S511-T513 PolarHBondContact O-N 2.83Å; T513-M515 PolarHBondContact O-N 2.94Å
514	G	38.5	Very low	63.3	Low	56 Å²	56	57.8 Å²	57.8	58%	0.577	34%	0.337	S	S	*	.			trans	66.2	-20.1	-173.1	0	0	0	0	0	115.2	R516	G514-R516 PolarHBondContact O-N 3.17Å
515	M	37	Very low	63.8	Low	130 Å²	130	57.1 Å²	57.1	64%	0.64	34%	0.338	S	S	*	.			trans	-72.3	81.7	177.5	-71	178.3	62.2	0	0	111.3	T513 S517	T513-M515 PolarHBondContact O-N 2.94Å; M515-S517 PolarHBondContact O-N 2.72Å
516	R	39.1	Very low	64.5	Low	173 Å²	173	57.1 Å²	57.1	65%	0.653	34%	0.338	S	S	*	.			trans	-70.5	62.1	153.3	-39.7	-179.1	-156.6	153.1	5.1	110	R4 M510 G514	R4-R516 PolarHBondContact NH2-O 3.09Å; M510-R516 HydrophobicContact CE-CB 3.82Å; M510-R516 HydrophobicContact CE-CG 4.25Å; G514-R516 PolarHBondContact O-N 3.17Å
517	S	38.3	Very low	65.1	Low	63 Å²	63	55.6 Å²	55.6	44%	0.441	33%	0.334	S	S	.	.			trans	-72.2	154	158	175.6	0	0	0	0	108	M515 T519	M515-S517 PolarHBondContact O-N 2.72Å; S517-T519 PolarHBondContact O-N 3.14Å
518	V	41.8	Very low	65.6	Low	82 Å²	82	53.8 Å²	53.8	50%	0.497	32%	0.322	S	S	.	.			trans	-76.1	78.5	172.9	-175.1	0	0	0	0	107.6	L7 G520	L7-V518 HydrophobicContact CD1-CG2 4.2Å; V518-G520 PolarHBondContact O-N 2.93Å
519	T	41.5	Very low	66.2	Low	46 Å²	46	55.2 Å²	55.2	28%	0.282	33%	0.33	S	S	.	.			trans	-75.4	57.3	-175.7	41.8	0	0	0	0	112.5	A363 Q506 S517	A363-T519 HydrophobicContact CB-CG2 4.24Å; Q506-T519 PolarHBondContact NE2-OG1 3.16Å; S517-T519 PolarHBondContact O-N 3.14Å
520	G	54.6	Low	66.8	Low	23 Å²	23	55 Å²	55	24%	0.237	33%	0.328	C	S	.	.	S	Bend	trans	-156	114.1	172.8	0	0	0	0	0	108.8	V518 P522	V518-G520 PolarHBondContact O-N 2.93Å; G520-P522 VanDerWaalsContact O-CD 3.24Å; G520-P522 WeakPolarHBondContact O-CD 3.44Å; G520-P522 VanDerWaalsContact O-N 3.15Å
521	T	65.4	Low	67.2	Low	93 Å²	93	54 Å²	54	57%	0.571	33%	0.326	S	S	*	.			trans	-67.4	104.6	173.6	-38.3	0	0	0	0	106.3	Y523 W524	T521-Y523 VanDerWaalsContact C-N 3.33Å; T521-Y523 HydrophobicContact CG2-CD2 3.76Å; T521-Y523 HydrophobicContact CG2-CE2 3.59Å; T521-Y523 PolarHBondContact O-N 2.8Å; T521-W524 HydrophobicContact CG2-CZ3 3.93Å; T521-W524 VanDerWaalsContact O-CE3 3.24Å; T521-W524 WeakPolarHBondContact O-CZ3 3.36Å
522	P	82.1	Confident	67.8	Low	3 Å²	3	53.9 Å²	53.9	2%	0.019	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-82.8	-5.2	-147	31	-37	0	0	0	115.4	G520 W524 M525 A563 I567	G520-P522 VanDerWaalsContact O-CD 3.24Å; G520-P522 WeakPolarHBondContact O-CD 3.44Å; G520-P522 VanDerWaalsContact O-N 3.15Å; P522-W524 PolarHBondContact O-N 3.42Å; P522-M525 HydrophobicContact CB-SD 4.19Å; P522-M525 VanDerWaalsContact O-CB 3.28Å; P522-M525 WeakPolarHBondContact O-CB 3.39Å; P522-M525 WeakPolarHBondContact O-CG 3.45Å; P522-M525 PolarHBondContact O-N 2.87Å; P522-A563 HydrophobicContact CG-CB 3.87Å; P522-A563 WeakPolarHBondContact CG-O 3.43Å; P522-I567 HydrophobicContact CB-CD1 3.73Å; P522-I567 HydrophobicContact CB-CG1 3.63Å; P522-I567 HydrophobicContact CG-CD1 3.96Å; P522-I567 HydrophobicContact CG-CG1 3.9Å
523	Y	91.6	Very high	68.8	Low	30 Å²	30	58.6 Å²	58.6	12%	0.118	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-60.7	-15.6	-171.3	-47.3	-85.7	0	0	0	115.7	T521 C546 P556 P557 W558 F561 A566	T521-Y523 VanDerWaalsContact C-N 3.33Å; T521-Y523 HydrophobicContact CG2-CD2 3.76Å; T521-Y523 HydrophobicContact CG2-CE2 3.59Å; T521-Y523 PolarHBondContact O-N 2.8Å; Y523-C546 PolarHBondContact O-SG 3.12Å; Y523-P556 HydrophobicContact CD2-CG 4.08Å; Y523-P556 HydrophobicContact CG-CB 4.42Å; Y523-P556 HydrophobicContact CG-CG 3.94Å; Y523-P557 WeakPolarHBondContact CB-O 3.34Å; Y523-P557 WeakPolarHBondContact CD1-O 3.47Å; Y523-W558 HydrophobicContact CD1-CB 4.48Å; Y523-W558 VanDerWaalsContact CE1-O 3.28Å; Y523-W558 WeakPolarHBondContact CE1-O 3.41Å; Y523-F561 WeakPolarHBondContact CE1-O 3.41Å; Y523-F561 PolarHBondContact OH-O 3.04Å; Y523-F561 VanDerWaalsContact OH-O 3.05Å; Y523-A566 HydrophobicContact CD1-CB 3.74Å; Y523-A566 HydrophobicContact CE1-CB 3.53Å
524	W	94.4	Very high	69.5	Low	26 Å²	26	56 Å²	56	10%	0.098	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-98.6	-3.2	174	-57.2	-107.1	0	0	0	113.2	K482 T521 P522 S543 C546 E550 P556	K482-W524 HydrophobicContact CB-CD2 3.82Å; K482-W524 HydrophobicContact CB-CG 3.93Å; K482-W524 HydrophobicContact CB-CZ2 4.01Å; T521-W524 HydrophobicContact CG2-CZ3 3.93Å; T521-W524 VanDerWaalsContact O-CE3 3.24Å; T521-W524 WeakPolarHBondContact O-CZ3 3.36Å; P522-W524 PolarHBondContact O-N 3.42Å; W524-S543 WeakPolarHBondContact O-CB 3.27Å; W524-S543 PolarHBondContact O-OG 2.92Å; W524-C546 HydrophobicContact CB-CB 4.19Å; W524-C546 HydrophobicContact CG-CB 3.92Å; W524-E550 HydrophobicContact CZ2-CG 4.4Å; W524-E550 WeakPolarHBondContact CZ2-OE2 3.33Å; W524-E550 PolarHBondContact NE1-OE2 3.15Å; W524-P556 HydrophobicContact CD2-CB 4.18Å; W524-P556 HydrophobicContact CE3-CB 4.41Å; W524-P556 HydrophobicContact CH2-CB 3.87Å; W524-P556 HydrophobicContact CH2-CG 3.58Å; W524-P556 HydrophobicContact CZ2-CB 3.6Å; W524-P556 HydrophobicContact CZ2-CG 3.79Å; W524-P556 HydrophobicContact CZ3-CB 4.26Å; W524-P556 HydrophobicContact CZ3-CG 4.03Å
525	M	92	Very high	71.2	Confident	63 Å²	63	56.6 Å²	56.6	31%	0.31	32%	0.318	S	S	.	.			trans	-74.6	140.1	175.8	-63	-175.6	178.1	0	0	110.5	P522 V529 I530 W542	P522-M525 HydrophobicContact CB-SD 4.19Å; P522-M525 VanDerWaalsContact O-CB 3.28Å; P522-M525 WeakPolarHBondContact O-CB 3.39Å; P522-M525 WeakPolarHBondContact O-CG 3.45Å; P522-M525 PolarHBondContact O-N 2.87Å; M525-V529 HydrophobicContact CB-CG1 4.41Å; M525-V529 HydrophobicContact CG-CG1 4.49Å; M525-I530 HydrophobicContact CB-CD1 4.07Å; M525-I530 HydrophobicContact CB-CG1 4.03Å; M525-W542 PolarHBondContact O-NE1 2.92Å
526	S	92.4	Very high	73.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.302	C	S	.	.			trans	-87.5	160.6	177.2	62.7	0	0	0	0	112.4	E528 V529 I530 A539 W542	S526-E528 VanDerWaalsContact C-N 3.26Å; S526-E528 VanDerWaalsContact CB-CD 3.49Å; S526-E528 WeakPolarHBondContact CB-OE1 3.34Å; S526-E528 WeakPolarHBondContact CB-OE2 3.39Å; S526-E528 PolarHBondContact O-N 2.67Å; S526-E528 PolarHBondContact OG-OE1 3.16Å; S526-E528 PolarHBondContact OG-OE2 3.28Å; S526-V529 PolarHBondContact O-N 3.26Å; S526-V529 WeakPolarHBondContact OG-CG2 3.4Å; S526-I530 PolarHBondContact O-N 2.71Å; S526-A539 VanDerWaalsContact OG-CB 3.31Å; S526-A539 WeakPolarHBondContact OG-CB 3.48Å; S526-W542 VanDerWaalsContact CB-CG 3.47Å
527	P	91.4	Very high	76.3	Confident	34 Å²	34	48.7 Å²	48.7	22%	0.221	29%	0.29	C	S	.	.	H	α-helix	trans	-56.1	-41.4	-179.9	-24.2	33.8	0	0	0	112.1	V529 I530 S531 W542 I570	P527-V529 VanDerWaalsContact C-N 3.26Å; P527-V529 PolarHBondContact O-N 3.06Å; P527-I530 PolarHBondContact O-N 3.44Å; P527-I530 VanDerWaalsContact O-N 3.16Å; P527-S531 PolarHBondContact O-N 3.29Å; P527-S531 PolarHBondContact O-OG 2.76Å; P527-W542 HydrophobicContact CG-CH2 3.6Å; P527-W542 HydrophobicContact CG-CZ2 4.07Å; P527-W542 HydrophobicContact CG-CZ3 3.96Å; P527-I570 HydrophobicContact CB-CG2 4.39Å; P527-I570 HydrophobicContact CG-CG2 3.82Å
528	E	89.7	Confident	79	Confident	20 Å²	20	49.1 Å²	49.1	9%	0.093	28%	0.284	C	S	.	.	H	α-helix	trans	-71.2	-16.5	179.4	71.8	-80.1	174.7	0	0	114.4	S526 S531 E533 G534 A539 A598 R601	S526-E528 VanDerWaalsContact C-N 3.26Å; S526-E528 VanDerWaalsContact CB-CD 3.49Å; S526-E528 WeakPolarHBondContact CB-OE1 3.34Å; S526-E528 WeakPolarHBondContact CB-OE2 3.39Å; S526-E528 PolarHBondContact O-N 2.67Å; S526-E528 PolarHBondContact OG-OE1 3.16Å; S526-E528 PolarHBondContact OG-OE2 3.28Å; E528-S531 WeakPolarHBondContact CA-OG 3.44Å; E528-S531 PolarHBondContact O-OG 2.86Å; E528-E533 HydrophobicContact CB-CB 4.29Å; E528-E533 PolarHBondContact O-N 2.89Å; E528-G534 PolarHBondContact O-N 3.31Å; E528-A539 WeakPolarHBondContact OE1-CA 3.41Å; E528-A598 HydrophobicContact CG-CB 4.02Å; E528-R601 IonicContact OE1-CZ 2.7Å; E528-R601 IonicContact OE1-NH1 2.69Å; E528-R601 PolarHBondContact OE1-NH1 3.28Å; E528-R601 IonicContact OE1-NH2 2.7Å; E528-R601 IonicContact OE2-CZ 3.2Å; E528-R601 IonicContact OE2-NH1 2.78Å; E528-R601 PolarHBondContact OE2-NH1 3.09Å; E528-R601 IonicContact OE2-NH2 2.65Å; E528-R601 PolarHBondContact OE2-NH2 2.98Å
529	V	88.3	Confident	81.5	Confident	32 Å²	32	45.2 Å²	45.2	19%	0.194	26%	0.26	C	S	.	.	H	α-helix	trans	-84.4	-36.3	170.1	169.8	0	0	0	0	110.7	M525 S526 P527 G532 Y535 A539	M525-V529 HydrophobicContact CB-CG1 4.41Å; M525-V529 HydrophobicContact CG-CG1 4.49Å; S526-V529 PolarHBondContact O-N 3.26Å; S526-V529 WeakPolarHBondContact OG-CG2 3.4Å; P527-V529 VanDerWaalsContact C-N 3.26Å; P527-V529 PolarHBondContact O-N 3.06Å; V529-G532 PolarHBondContact O-N 2.81Å; V529-Y535 HydrophobicContact CB-CD2 4.31Å; V529-Y535 HydrophobicContact CG1-CD2 3.82Å; V529-Y535 HydrophobicContact CG1-CE2 4.09Å; V529-Y535 HydrophobicContact CG2-CD2 3.43Å; V529-Y535 VanDerWaalsContact CG2-CD2 3.43Å; V529-Y535 HydrophobicContact CG2-CE2 3.74Å; V529-Y535 HydrophobicContact CG2-CG 3.85Å; V529-A539 HydrophobicContact CG2-CB 3.65Å
530	I	86.4	Confident	84.1	Confident	20 Å²	20	43 Å²	43	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-72.4	-39.8	178.5	-72.5	165.2	0	0	0	111.9	M525 S526 P527 G532 I567 I570 A571	M525-I530 HydrophobicContact CB-CD1 4.07Å; M525-I530 HydrophobicContact CB-CG1 4.03Å; S526-I530 PolarHBondContact O-N 2.71Å; P527-I530 PolarHBondContact O-N 3.44Å; P527-I530 VanDerWaalsContact O-N 3.16Å; I530-G532 PolarHBondContact O-N 2.91Å; I530-I567 HydrophobicContact CD1-CG1 4.4Å; I530-I567 HydrophobicContact CD1-CG2 4.48Å; I530-I567 HydrophobicContact CG2-CG2 3.72Å; I530-I570 HydrophobicContact CD1-CB 3.78Å; I530-I570 HydrophobicContact CD1-CD1 4.08Å; I530-I570 HydrophobicContact CD1-CG2 3.58Å; I530-A571 HydrophobicContact CG2-CB 3.91Å
531	S	79.8	Confident	86.2	Confident	34 Å²	34	42 Å²	42	24%	0.238	24%	0.236	C	C	.	.	S	Bend	trans	-70.4	-13.6	175	64.1	0	0	0	0	113.6	P527 E528 E533	P527-S531 PolarHBondContact O-N 3.29Å; P527-S531 PolarHBondContact O-OG 2.76Å; E528-S531 WeakPolarHBondContact CA-OG 3.44Å; E528-S531 PolarHBondContact O-OG 2.86Å; S531-E533 VanDerWaalsContact C-N 3.33Å; S531-E533 WeakPolarHBondContact CB-OE1 3.46Å; S531-E533 VanDerWaalsContact OG-CD 3.25Å; S531-E533 WeakPolarHBondContact OG-CG 3.31Å; S531-E533 PolarHBondContact OG-OE1 3.43Å
532	G	76.5	Confident	87.7	Confident	59 Å²	59	37.6 Å²	37.6	61%	0.608	21%	0.209	S	C	*	.	S	Bend	trans	81.4	5.7	-177	0	0	0	0	0	114.8	V529 I530 G534	V529-G532 PolarHBondContact O-N 2.81Å; I530-G532 PolarHBondContact O-N 2.91Å; G532-G534 PolarHBondContact O-N 3.4Å
533	E	73.1	Confident	88.4	Confident	153 Å²	153	37.6 Å²	37.6	72%	0.715	21%	0.209	S	C	*	.	S	Bend	trans	-57.8	-34.6	174.3	-72.7	163.3	-114.9	0	0	112.3	E528 S531	E528-E533 HydrophobicContact CB-CB 4.29Å; E528-E533 PolarHBondContact O-N 2.89Å; S531-E533 VanDerWaalsContact C-N 3.33Å; S531-E533 WeakPolarHBondContact CB-OE1 3.46Å; S531-E533 VanDerWaalsContact OG-CD 3.25Å; S531-E533 WeakPolarHBondContact OG-CG 3.31Å; S531-E533 PolarHBondContact OG-OE1 3.43Å
534	G	65.4	Low	88.8	Confident	36 Å²	36	36.1 Å²	36.1	37%	0.371	20%	0.203	S	C	.	.			trans	137.1	163.7	159.5	0	0	0	0	0	115	E528 G532	E528-G534 PolarHBondContact O-N 3.31Å; G532-G534 PolarHBondContact O-N 3.4Å
535	Y	74.9	Confident	88.9	Confident	69 Å²	69	34.9 Å²	34.9	27%	0.271	20%	0.198	S	C	.	.			trans	-89.9	112.4	-179	-148.8	-58.5	0	0	0	111.5	V477 R479 V529 A539 D540 S543	V477-Y535 HydrophobicContact CG1-CD1 3.67Å; V477-Y535 HydrophobicContact CG1-CE1 3.83Å; R479-Y535 VanDerWaalsContact CA-CZ 3.46Å; R479-Y535 HydrophobicContact CB-CD1 4.38Å; R479-Y535 HydrophobicContact CB-CE1 4.21Å; R479-Y535 HydrophobicContact CB-CE2 4.35Å; R479-Y535 HydrophobicContact CG-CD1 3.84Å; R479-Y535 HydrophobicContact CG-CE1 4.08Å; R479-Y535 HydrophobicContact CG-CG 4.12Å; R479-Y535 PolarHBondContact O-OH 3.35Å; V529-Y535 HydrophobicContact CB-CD2 4.31Å; V529-Y535 HydrophobicContact CG1-CD2 3.82Å; V529-Y535 HydrophobicContact CG1-CE2 4.09Å; V529-Y535 HydrophobicContact CG2-CD2 3.43Å; V529-Y535 VanDerWaalsContact CG2-CD2 3.43Å; V529-Y535 HydrophobicContact CG2-CE2 3.74Å; V529-Y535 HydrophobicContact CG2-CG 3.85Å; Y535-A539 HydrophobicContact CD1-CB 3.85Å; Y535-A539 HydrophobicContact CE1-CB 3.5Å; Y535-A539 VanDerWaalsContact CE1-CB 3.5Å; Y535-A539 HydrophobicContact CE2-CB 4.4Å; Y535-A539 HydrophobicContact CG-CB 4.4Å; Y535-D540 WeakPolarHBondContact CE1-OD1 3.43Å; Y535-S543 PolarHBondContact OH-OG 3.13Å
536	G	87.3	Confident	89.2	Confident	29 Å²	29	31.9 Å²	31.9	30%	0.299	18%	0.184	S	C	.	.			trans	-133.5	-179.4	178	0	0	0	0	0	113.9	K538 A539	G536-K538 PolarHBondContact O-N 2.83Å; G536-K538 VanDerWaalsContact O-N 3.08Å; G536-A539 WeakPolarHBondContact O-CB 3.3Å; G536-A539 PolarHBondContact O-N 3.05Å
537	R	94.8	Very high	89.5	Confident	108 Å²	108	31.9 Å²	31.9	41%	0.408	18%	0.184	S	C	.	.	H	α-helix	trans	-51.1	-34.6	-178.1	-69	-178	-179.2	137.9	-5.6	114.3	H472 M475 V477 A539 D540 V541	H472-R537 HydrophobicContact CB-CG 4.25Å; H472-R537 PolarHBondContact CE1-O 3.3Å; H472-R537 VanDerWaalsContact CE1-O 3.26Å; H472-R537 VanDerWaalsContact O-CZ 3.31Å; H472-R537 PolarHBondContact O-NE 2.74Å; H472-R537 VanDerWaalsContact O-NE 3.16Å; H472-R537 PolarHBondContact O-NH2 2.72Å; M475-R537 PolarHBondContact SD-NH2 3.17Å; V477-R537 HydrophobicContact CG2-CG 4.16Å; R537-A539 VanDerWaalsContact C-N 3.32Å; R537-D540 PolarHBondContact O-N 3.02Å; R537-V541 PolarHBondContact O-N 3.3Å
538	K	95.9	Very high	89.8	Confident	71 Å²	71	30.3 Å²	30.3	31%	0.309	17%	0.173	S	C	.	.	H	α-helix	trans	-71	-26.6	179.5	-58	-71.5	-172	177.3	0	112.2	G536 V541 W542 A598 R601	G536-K538 PolarHBondContact O-N 2.83Å; G536-K538 VanDerWaalsContact O-N 3.08Å; K538-V541 PolarHBondContact O-N 2.89Å; K538-W542 PolarHBondContact O-N 2.96Å; K538-A598 HydrophobicContact CB-CB 4.3Å; K538-A598 WeakPolarHBondContact CD-O 3.31Å; K538-A598 WeakPolarHBondContact CG-O 3.35Å; K538-R601 HydrophobicContact CD-CB 4.45Å; K538-R601 WeakPolarHBondContact CD-O 3.31Å; K538-R601 WeakPolarHBondContact CE-O 3.39Å; K538-R601 PolarHBondContact NZ-O 3.5Å; K538-R601 VanDerWaalsContact O-CD 3.32Å; K538-R601 WeakPolarHBondContact O-CD 3.47Å; K538-R601 PolarHBondContact O-NH1 2.97Å
539	A	94.4	Very high	90.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70.3	-42.7	174.7	0	0	0	0	0	111.2	S526 E528 V529 Y535 G536 R537 V541 W542 S543	S526-A539 VanDerWaalsContact OG-CB 3.31Å; S526-A539 WeakPolarHBondContact OG-CB 3.48Å; E528-A539 WeakPolarHBondContact OE1-CA 3.41Å; V529-A539 HydrophobicContact CG2-CB 3.65Å; Y535-A539 HydrophobicContact CD1-CB 3.85Å; Y535-A539 HydrophobicContact CE1-CB 3.5Å; Y535-A539 VanDerWaalsContact CE1-CB 3.5Å; Y535-A539 HydrophobicContact CE2-CB 4.4Å; Y535-A539 HydrophobicContact CG-CB 4.4Å; G536-A539 WeakPolarHBondContact O-CB 3.3Å; G536-A539 PolarHBondContact O-N 3.05Å; R537-A539 VanDerWaalsContact C-N 3.32Å; A539-V541 PolarHBondContact O-N 2.8Å; A539-W542 WeakPolarHBondContact O-CB 3.42Å; A539-W542 PolarHBondContact O-N 3.2Å; A539-S543 PolarHBondContact O-N 3.38Å; A539-S543 PolarHBondContact O-OG 3.1Å; A539-S543 VanDerWaalsContact O-OG 3.14Å
540	D	96.2	Very high	90.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-54.8	-37.4	171	-74.7	-15.5	0	0	0	111.6	M468 H472 V477 H478 R479 I481 Y535 R537 S543 L544	M468-D540 HydrophobicContact CE-CB 4Å; H472-D540 IonicContact CD2-OD2 2.77Å; H472-D540 IonicContact CE1-OD2 2.7Å; H472-D540 IonicContact NE2-OD2 3.67Å; H472-D540 PolarHBondContact NE2-OD2 3.33Å; V477-D540 WeakPolarHBondContact CA-OD2 3.46Å; V477-D540 VanDerWaalsContact CG1-OD2 3.29Å; V477-D540 WeakPolarHBondContact CG1-OD2 3.4Å; H478-D540 PolarHBondContact N-OD1 3.16Å; H478-D540 PolarHBondContact N-OD2 2.93Å; R479-D540 PolarHBondContact N-OD1 2.86Å; I481-D540 HydrophobicContact CD1-CB 3.8Å; Y535-D540 WeakPolarHBondContact CE1-OD1 3.43Å; R537-D540 PolarHBondContact O-N 3.02Å; D540-S543 PolarHBondContact O-N 3.39Å; D540-L544 PolarHBondContact O-N 3.27Å
541	V	98.3	Very high	91.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-68.7	-35.5	177.3	174.6	0	0	0	0	112.7	M468 R537 K538 A539 L544 G545 I594 R601 L607	M468-V541 HydrophobicContact CE-CB 4.48Å; M468-V541 HydrophobicContact CE-CG2 3.83Å; R537-V541 PolarHBondContact O-N 3.3Å; K538-V541 PolarHBondContact O-N 2.89Å; A539-V541 PolarHBondContact O-N 2.8Å; V541-L544 WeakPolarHBondContact O-CB 3.41Å; V541-G545 PolarHBondContact O-N 3.12Å; V541-G545 VanDerWaalsContact O-N 3.09Å; V541-I594 HydrophobicContact CG1-CG1 4.09Å; V541-I594 HydrophobicContact CG1-CG2 4.35Å; V541-I594 VanDerWaalsContact O-CG2 3.29Å; V541-I594 WeakPolarHBondContact O-CG2 3.43Å; V541-R601 HydrophobicContact CG1-CG 3.92Å; V541-L607 HydrophobicContact CG1-CD1 3.52Å
542	W	97.4	Very high	92.1	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-66.8	-45.8	170.8	174.4	-78.7	0	0	0	111.4	M525 S526 P527 K538 A539 L544 G545 C546 W558 I570 T575 F595	M525-W542 PolarHBondContact O-NE1 2.92Å; S526-W542 VanDerWaalsContact CB-CG 3.47Å; P527-W542 HydrophobicContact CG-CH2 3.6Å; P527-W542 HydrophobicContact CG-CZ2 4.07Å; P527-W542 HydrophobicContact CG-CZ3 3.96Å; K538-W542 PolarHBondContact O-N 2.96Å; A539-W542 WeakPolarHBondContact O-CB 3.42Å; A539-W542 PolarHBondContact O-N 3.2Å; W542-L544 VanDerWaalsContact C-N 3.26Å; W542-L544 PolarHBondContact O-N 3.4Å; W542-G545 WeakPolarHBondContact O-CA 3.43Å; W542-G545 PolarHBondContact O-N 2.7Å; W542-C546 PolarHBondContact O-N 2.7Å; W542-W558 HydrophobicContact CH2-CH2 4.33Å; W542-W558 AromaticContact CZ2-CH2 3.71Å; W542-W558 HydrophobicContact CZ2-CH2 3.71Å; W542-W558 HydrophobicContact CZ2-CZ3 4.04Å; W542-I570 HydrophobicContact CH2-CG2 4.45Å; W542-I570 HydrophobicContact CZ2-CG2 3.84Å; W542-T575 HydrophobicContact CH2-CG2 3.97Å; W542-T575 HydrophobicContact CZ2-CG2 4.34Å; W542-F595 HydrophobicContact CD2-CD1 4.06Å; W542-F595 AromaticContact CD2-CE1 3.95Å; W542-F595 HydrophobicContact CD2-CE1 3.95Å; W542-F595 AromaticContact CE2-CE1 3.73Å; W542-F595 AromaticContact CE3-CD1 3.8Å; W542-F595 HydrophobicContact CE3-CD1 3.8Å; W542-F595 HydrophobicContact CE3-CE1 4.18Å; W542-F595 AromaticContact CH2-CD1 3.62Å; W542-F595 HydrophobicContact CH2-CD1 3.62Å; W542-F595 HydrophobicContact CH2-CE1 4.14Å; W542-F595 AromaticContact CZ2-CD1 3.81Å; W542-F595 HydrophobicContact CZ2-CD1 3.81Å; W542-F595 AromaticContact CZ2-CE1 3.83Å; W542-F595 HydrophobicContact CZ2-CE1 3.83Å; W542-F595 HydrophobicContact CZ3-CB 4.42Å; W542-F595 AromaticContact CZ3-CD1 3.59Å; W542-F595 HydrophobicContact CZ3-CD1 3.59Å; W542-F595 HydrophobicContact CZ3-CE1 4.28Å; W542-F595 HydrophobicContact CZ3-CG 4.38Å
543	S	97.1	Very high	93.1	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	-60.4	-35.2	176.6	-55.9	0	0	0	0	112	I481 W524 Y535 A539 D540 C546 T547	I481-S543 WeakPolarHBondContact O-CB 3.48Å; W524-S543 WeakPolarHBondContact O-CB 3.27Å; W524-S543 PolarHBondContact O-OG 2.92Å; Y535-S543 PolarHBondContact OH-OG 3.13Å; A539-S543 PolarHBondContact O-N 3.38Å; A539-S543 PolarHBondContact O-OG 3.1Å; A539-S543 VanDerWaalsContact O-OG 3.14Å; D540-S543 PolarHBondContact O-N 3.39Å; S543-C546 PolarHBondContact O-N 3.03Å; S543-T547 WeakPolarHBondContact O-CB 3.32Å; S543-T547 PolarHBondContact O-N 2.99Å; S543-T547 PolarHBondContact O-OG1 3.38Å
544	L	98.3	Very high	94.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-49.9	166.2	169.7	64.8	0	0	0	111.7	T461 I464 L465 M468 D540 V541 W542 C546 T547 V548 F590 L607	T461-L544 HydrophobicContact CG2-CD1 4.46Å; I464-L544 HydrophobicContact CB-CD1 4.26Å; I464-L544 HydrophobicContact CD1-CD1 4.42Å; I464-L544 HydrophobicContact CG2-CD1 3.73Å; L465-L544 HydrophobicContact CD1-CD2 4.42Å; L465-L544 HydrophobicContact CD2-CD2 3.32Å; L465-L544 HydrophobicContact CG-CD2 3.66Å; M468-L544 HydrophobicContact CE-CB 4.15Å; M468-L544 HydrophobicContact CE-CD2 4.22Å; M468-L544 HydrophobicContact SD-CB 3.93Å; M468-L544 HydrophobicContact SD-CD2 3.83Å; M468-L544 HydrophobicContact SD-CG 4.3Å; D540-L544 PolarHBondContact O-N 3.27Å; V541-L544 WeakPolarHBondContact O-CB 3.41Å; W542-L544 VanDerWaalsContact C-N 3.26Å; W542-L544 PolarHBondContact O-N 3.4Å; L544-C546 VanDerWaalsContact C-N 3.27Å; L544-C546 PolarHBondContact O-N 3.15Å; L544-T547 CarbonylContact O-C 3.48Å; L544-T547 WeakPolarHBondContact O-CA 3.44Å; L544-T547 WeakPolarHBondContact O-CB 3.5Å; L544-T547 PolarHBondContact O-N 2.87Å; L544-V548 HydrophobicContact CD1-CG2 3.94Å; L544-V548 HydrophobicContact CG-CG2 4.37Å; L544-V548 WeakPolarHBondContact O-CG2 3.37Å; L544-V548 PolarHBondContact O-N 2.83Å; L544-F590 HydrophobicContact CD2-CZ 4.35Å; L544-L607 HydrophobicContact CD2-CD1 4.39Å
545	G	98.1	Very high	95.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-53.2	-44.6	176.2	0	0	0	0	0	112.6	V541 W542 T547 V548 V549	V541-G545 PolarHBondContact O-N 3.12Å; V541-G545 VanDerWaalsContact O-N 3.09Å; W542-G545 WeakPolarHBondContact O-CA 3.43Å; W542-G545 PolarHBondContact O-N 2.7Å; G545-T547 VanDerWaalsContact C-N 3.33Å; G545-T547 PolarHBondContact O-N 3.18Å; G545-V548 PolarHBondContact O-N 3.34Å; G545-V549 PolarHBondContact O-N 3.46Å; G545-V549 VanDerWaalsContact O-N 3.12Å
546	C	98.1	Very high	96.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-37.8	173.7	-62.5	0	0	0	0	112.6	Y523 W524 W542 S543 L544 V549 E550 P557	Y523-C546 PolarHBondContact O-SG 3.12Å; W524-C546 HydrophobicContact CB-CB 4.19Å; W524-C546 HydrophobicContact CG-CB 3.92Å; W542-C546 PolarHBondContact O-N 2.7Å; S543-C546 PolarHBondContact O-N 3.03Å; L544-C546 VanDerWaalsContact C-N 3.27Å; L544-C546 PolarHBondContact O-N 3.15Å; C546-V549 PolarHBondContact O-N 3.17Å; C546-E550 WeakPolarHBondContact O-CB 3.14Å; C546-E550 PolarHBondContact O-N 3.13Å; C546-P557 HydrophobicContact CB-CG 4.02Å
547	T	98.1	Very high	96.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.6	-31.4	176.4	-50.6	0	0	0	0	112.4	I481 K482 I486 S543 L544 G545 M551	I481-T547 PolarHBondContact O-OG1 2.97Å; K482-T547 WeakPolarHBondContact CA-OG1 3.14Å; I486-T547 HydrophobicContact CG1-CG2 4.12Å; S543-T547 WeakPolarHBondContact O-CB 3.32Å; S543-T547 PolarHBondContact O-N 2.99Å; S543-T547 PolarHBondContact O-OG1 3.38Å; L544-T547 CarbonylContact O-C 3.48Å; L544-T547 WeakPolarHBondContact O-CA 3.44Å; L544-T547 WeakPolarHBondContact O-CB 3.5Å; L544-T547 PolarHBondContact O-N 2.87Å; G545-T547 VanDerWaalsContact C-N 3.33Å; G545-T547 PolarHBondContact O-N 3.18Å; T547-M551 HydrophobicContact CG2-CE 4.33Å; T547-M551 WeakPolarHBondContact O-CG 3.41Å; T547-M551 PolarHBondContact O-N 2.95Å
548	V	98.4	Very high	96.7	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-71.2	-37.8	174.3	174.7	0	0	0	0	111.3	T457 T461 L544 G545 M551 L552 F590 I591 F612	T457-V548 HydrophobicContact CG2-CG1 3.92Å; T461-V548 HydrophobicContact CG2-CG2 3.83Å; T461-V548 VanDerWaalsContact OG1-CG2 3.31Å; T461-V548 WeakPolarHBondContact OG1-CG2 3.38Å; L544-V548 HydrophobicContact CD1-CG2 3.94Å; L544-V548 HydrophobicContact CG-CG2 4.37Å; L544-V548 WeakPolarHBondContact O-CG2 3.37Å; L544-V548 PolarHBondContact O-N 2.83Å; G545-V548 PolarHBondContact O-N 3.34Å; V548-M551 HydrophobicContact CG2-CE 4.1Å; V548-L552 HydrophobicContact CG1-CD1 4.23Å; V548-L552 WeakPolarHBondContact O-CG 3.33Å; V548-L552 PolarHBondContact O-N 2.98Å; V548-F590 HydrophobicContact CG2-CE1 4.07Å; V548-I591 HydrophobicContact CB-CD1 4.04Å; V548-I591 HydrophobicContact CG1-CD1 3.93Å; V548-F612 HydrophobicContact CG1-CE1 4.09Å; V548-F612 HydrophobicContact CG1-CZ 4.38Å
549	V	97.9	Very high	96.5	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.018	10%	0.095	C	C	.	.	H	α-helix	trans	-63.2	-51.2	169.6	177.3	0	0	0	0	110.2	G545 C546 M551 L552 T553 P557 P577 L579 I591	G545-V549 PolarHBondContact O-N 3.46Å; G545-V549 VanDerWaalsContact O-N 3.12Å; C546-V549 PolarHBondContact O-N 3.17Å; V549-M551 PolarHBondContact O-N 2.82Å; V549-L552 CarbonylContact O-C 3.45Å; V549-L552 WeakPolarHBondContact O-CA 3.27Å; V549-L552 PolarHBondContact O-N 3.01Å; V549-T553 HydrophobicContact CG1-CG2 4.2Å; V549-T553 PolarHBondContact O-N 3.12Å; V549-T553 PolarHBondContact O-OG1 3.22Å; V549-P557 HydrophobicContact CB-CG 3.83Å; V549-P557 HydrophobicContact CG1-CG 3.93Å; V549-P557 HydrophobicContact CG2-CG 3.99Å; V549-P577 HydrophobicContact CG2-CB 3.92Å; V549-P577 HydrophobicContact CG2-CG 3.76Å; V549-L579 HydrophobicContact CG2-CD2 3.88Å; V549-I591 HydrophobicContact CG2-CD1 4.03Å
550	E	97.9	Very high	96.4	Very high	7 Å²	7	24.6 Å²	24.6	3%	0.033	13%	0.125	C	C	.	.	H	α-helix	trans	-49.7	-43.2	176.5	-177.9	-171.2	-176.6	0	0	112.4	L446 G483 W524 C546 L552 E554 K555	L446-E550 HydrophobicContact CD1-CG 3.81Å; L446-E550 WeakPolarHBondContact CD1-O 3.46Å; G483-E550 WeakPolarHBondContact CA-OE1 3.3Å; G483-E550 PolarHBondContact N-OE1 3.36Å; G483-E550 PolarHBondContact N-OE2 3.46Å; W524-E550 HydrophobicContact CZ2-CG 4.4Å; W524-E550 WeakPolarHBondContact CZ2-OE2 3.33Å; W524-E550 PolarHBondContact NE1-OE2 3.15Å; C546-E550 WeakPolarHBondContact O-CB 3.14Å; C546-E550 PolarHBondContact O-N 3.13Å; E550-L552 PolarHBondContact O-N 2.92Å; E550-E554 CarbonylContact O-C 3.57Å; E550-E554 VanDerWaalsContact O-CA 3.32Å; E550-E554 WeakPolarHBondContact O-CA 3.21Å; E550-E554 PolarHBondContact O-N 2.83Å; E550-K555 WeakPolarHBondContact CA-O 3.34Å
551	M	98.4	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.1	-31.3	175.6	-75.9	-172.5	-72.4	0	0	113.9	V442 L452 T457 Y460 I464 T547 V548 V549	V442-M551 HydrophobicContact CG1-CG 3.8Å; V442-M551 HydrophobicContact CG1-SD 4.16Å; L452-M551 WeakPolarHBondContact CB-O 3.4Å; L452-M551 HydrophobicContact CD1-CB 4.05Å; L452-M551 HydrophobicContact CD1-CG 3.82Å; L452-M551 HydrophobicContact CD1-SD 3.93Å; L452-M551 HydrophobicContact CG-CB 4.39Å; L452-M551 PolarHBondContact N-O 2.75Å; T457-M551 HydrophobicContact CG2-CB 3.94Å; T457-M551 HydrophobicContact CG2-CE 4.07Å; Y460-M551 HydrophobicContact CD2-SD 3.94Å; Y460-M551 HydrophobicContact CG-SD 4.39Å; I464-M551 HydrophobicContact CD1-CE 4.17Å; T547-M551 HydrophobicContact CG2-CE 4.33Å; T547-M551 WeakPolarHBondContact O-CG 3.41Å; T547-M551 PolarHBondContact O-N 2.95Å; V548-M551 HydrophobicContact CG2-CE 4.1Å; V549-M551 PolarHBondContact O-N 2.82Å
552	L	97.9	Very high	95.8	Very high	14 Å²	14	34.5 Å²	34.5	7%	0.073	17%	0.17	C	C	.	.	H	α-helix	trans	-91	-15.1	-178	-67.2	169.5	0	0	0	114.4	E454 T457 V548 V549 E550 L579 P580	E454-L552 HydrophobicContact CB-CD2 4.32Å; E454-L552 HydrophobicContact CG-CD2 4.44Å; T457-L552 HydrophobicContact CG2-CD1 4.41Å; T457-L552 HydrophobicContact CG2-CD2 4.04Å; T457-L552 HydrophobicContact CG2-CG 3.97Å; V548-L552 HydrophobicContact CG1-CD1 4.23Å; V548-L552 WeakPolarHBondContact O-CG 3.33Å; V548-L552 PolarHBondContact O-N 2.98Å; V549-L552 CarbonylContact O-C 3.45Å; V549-L552 WeakPolarHBondContact O-CA 3.27Å; V549-L552 PolarHBondContact O-N 3.01Å; E550-L552 PolarHBondContact O-N 2.92Å; L552-L579 HydrophobicContact CD1-CD2 4.22Å; L552-P580 HydrophobicContact CB-CG 4.23Å; L552-P580 WeakPolarHBondContact O-CG 3.34Å
553	T	96.6	Very high	95.2	Very high	46 Å²	46	35.8 Å²	35.8	28%	0.282	18%	0.181	S	C	.	.	H	α-helix	trans	-135.2	4.8	-170.9	63.9	0	0	0	0	114.5	V549 K555 P580	V549-T553 HydrophobicContact CG1-CG2 4.2Å; V549-T553 PolarHBondContact O-N 3.12Å; V549-T553 PolarHBondContact O-OG1 3.22Å; T553-K555 PolarHBondContact O-N 3.08Å; T553-K555 PolarHBondContact OG1-N 2.98Å; T553-K555 PolarHBondContact OG1-O 2.91Å; T553-P580 HydrophobicContact CG2-CG 4.05Å
554	E	96	Very high	94.7	Very high	101 Å²	101	39 Å²	39	47%	0.472	20%	0.196	S	C	.	.	S	Bend	trans	64.6	-7.3	-172.4	-59.6	157.9	-156.5	0	0	115.4	L446 G450 A451 E550	L446-E554 HydrophobicContact CD2-CG 4.43Å; G450-E554 WeakPolarHBondContact CA-OE1 3.14Å; A451-E554 HydrophobicContact CB-CG 4Å; A451-E554 PolarHBondContact N-OE1 3.45Å; E550-E554 CarbonylContact O-C 3.57Å; E550-E554 VanDerWaalsContact O-CA 3.32Å; E550-E554 WeakPolarHBondContact O-CA 3.21Å; E550-E554 PolarHBondContact O-N 2.83Å
555	K	94.6	Very high	94.3	Very high	131 Å²	131	40.9 Å²	40.9	57%	0.57	21%	0.213	S	C	*	.	S	Bend	trans	-137.9	138.6	-169	-62.7	179.8	-177	175.8	0	110.1	E550 T553 A559	E550-K555 WeakPolarHBondContact CA-O 3.34Å; T553-K555 PolarHBondContact O-N 3.08Å; T553-K555 PolarHBondContact OG1-N 2.98Å; T553-K555 PolarHBondContact OG1-O 2.91Å; K555-A559 HydrophobicContact CB-CB 3.9Å
556	P	94.4	Very high	94	Very high	20 Å²	20	40.9 Å²	40.9	13%	0.13	21%	0.213	C	C	.	.			trans	-62.8	163.1	174.3	31.2	-37.5	0	0	0	110.8	Y523 W524 W558 A559	Y523-P556 HydrophobicContact CD2-CG 4.08Å; Y523-P556 HydrophobicContact CG-CB 4.42Å; Y523-P556 HydrophobicContact CG-CG 3.94Å; W524-P556 HydrophobicContact CD2-CB 4.18Å; W524-P556 HydrophobicContact CE3-CB 4.41Å; W524-P556 HydrophobicContact CH2-CB 3.87Å; W524-P556 HydrophobicContact CH2-CG 3.58Å; W524-P556 HydrophobicContact CZ2-CB 3.6Å; W524-P556 HydrophobicContact CZ2-CG 3.79Å; W524-P556 HydrophobicContact CZ3-CB 4.26Å; W524-P556 HydrophobicContact CZ3-CG 4.03Å; P556-W558 PolarHBondContact O-N 2.91Å; P556-A559 HydrophobicContact CG-CB 4.13Å; P556-A559 WeakPolarHBondContact O-CB 3.25Å; P556-A559 PolarHBondContact O-N 2.86Å
557	P	94.3	Very high	93.5	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.032	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	138.1	170.8	-28.8	37.6	0	0	0	112	Y523 C546 V549 A559 P577 F595	Y523-P557 WeakPolarHBondContact CB-O 3.34Å; Y523-P557 WeakPolarHBondContact CD1-O 3.47Å; C546-P557 HydrophobicContact CB-CG 4.02Å; V549-P557 HydrophobicContact CB-CG 3.83Å; V549-P557 HydrophobicContact CG1-CG 3.93Å; V549-P557 HydrophobicContact CG2-CG 3.99Å; P557-A559 PolarHBondContact O-N 3.46Å; P557-P577 HydrophobicContact CB-CB 4.09Å; P557-P577 HydrophobicContact CG-CB 4.1Å; P557-F595 HydrophobicContact CG-CZ 4.34Å
558	W	93.3	Very high	93.1	Very high	12 Å²	12	47.1 Å²	47.1	5%	0.045	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	19.4	173.6	-40.9	-56.9	0	0	0	115.1	Y523 W542 P556 E560 F561 K569 I570 T575 F595	Y523-W558 HydrophobicContact CD1-CB 4.48Å; Y523-W558 VanDerWaalsContact CE1-O 3.28Å; Y523-W558 WeakPolarHBondContact CE1-O 3.41Å; W542-W558 HydrophobicContact CH2-CH2 4.33Å; W542-W558 AromaticContact CZ2-CH2 3.71Å; W542-W558 HydrophobicContact CZ2-CH2 3.71Å; W542-W558 HydrophobicContact CZ2-CZ3 4.04Å; P556-W558 PolarHBondContact O-N 2.91Å; W558-E560 WeakPolarHBondContact CA-OE2 3.32Å; W558-E560 PolarHBondContact O-N 2.88Å; W558-E560 VanDerWaalsContact O-N 3.13Å; W558-F561 HydrophobicContact CB-CD2 3.85Å; W558-F561 WeakPolarHBondContact O-CB 3.47Å; W558-F561 PolarHBondContact O-N 3.43Å; W558-K569 HydrophobicContact CB-CD 4.46Å; W558-K569 VanDerWaalsContact CD1-CE 3.4Å; W558-K569 HydrophobicContact CG-CD 4Å; W558-I570 HydrophobicContact CD2-CG1 4.3Å; W558-I570 HydrophobicContact CE3-CD1 3.67Å; W558-I570 HydrophobicContact CE3-CG1 3.53Å; W558-I570 HydrophobicContact CH2-CG1 4.25Å; W558-I570 HydrophobicContact CZ3-CD1 3.75Å; W558-I570 HydrophobicContact CZ3-CG1 3.51Å; W558-T575 HydrophobicContact CH2-CG2 3.93Å; W558-T575 HydrophobicContact CZ2-CG2 3.87Å; W558-T575 WeakPolarHBondContact CZ2-O 3.44Å; W558-F595 HydrophobicContact CH2-CD1 4.04Å; W558-F595 AromaticContact CH2-CE1 3.69Å; W558-F595 HydrophobicContact CH2-CE1 3.69Å; W558-F595 HydrophobicContact CZ2-CE1 4.47Å; W558-F595 HydrophobicContact CZ3-CE1 4.46Å
559	A	91.9	Very high	92.7	Very high	37 Å²	37	48.7 Å²	48.7	31%	0.306	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.9	174.7	0	0	0	0	0	114.4	K555 P556 P557 F561	K555-A559 HydrophobicContact CB-CB 3.9Å; P556-A559 HydrophobicContact CG-CB 4.13Å; P556-A559 WeakPolarHBondContact O-CB 3.25Å; P556-A559 PolarHBondContact O-N 2.86Å; P557-A559 PolarHBondContact O-N 3.46Å; A559-F561 VanDerWaalsContact C-N 3.28Å
560	E	91.6	Very high	92.3	Very high	134 Å²	134	48.7 Å²	48.7	63%	0.626	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.4	168.8	69.9	-78.5	-175.9	0	0	113.7	W558	W558-E560 WeakPolarHBondContact CA-OE2 3.32Å; W558-E560 PolarHBondContact O-N 2.88Å; W558-E560 VanDerWaalsContact O-N 3.13Å
561	F	90.8	Very high	91.8	Very high	73 Å²	73	49.4 Å²	49.4	32%	0.32	26%	0.255	S	S	.	.	S	Bend	trans	-99.1	147.9	175.3	-65.4	-86.6	0	0	0	111.1	Y523 W558 A559 A565 A566 K569	Y523-F561 WeakPolarHBondContact CE1-O 3.41Å; Y523-F561 PolarHBondContact OH-O 3.04Å; Y523-F561 VanDerWaalsContact OH-O 3.05Å; W558-F561 HydrophobicContact CB-CD2 3.85Å; W558-F561 WeakPolarHBondContact O-CB 3.47Å; W558-F561 PolarHBondContact O-N 3.43Å; A559-F561 VanDerWaalsContact C-N 3.28Å; F561-A565 HydrophobicContact CB-CB 4.12Å; F561-A565 HydrophobicContact CD1-CB 4.19Å; F561-A566 HydrophobicContact CB-CB 4.14Å; F561-K569 HydrophobicContact CD2-CD 3.96Å; F561-K569 HydrophobicContact CE2-CD 3.56Å; F561-K569 HydrophobicContact CZ-CD 3.89Å
562	E	90	Very high	91.2	Very high	138 Å²	138	52.6 Å²	52.6	65%	0.645	27%	0.274	S	S	*	.			trans	-65.4	158	168.2	-160.8	-126	104.9	0	0	111	M564 A565 A566	E562-M564 VanDerWaalsContact C-N 3.3Å; E562-M564 PolarHBondContact O-N 2.85Å; E562-M564 VanDerWaalsContact O-N 3.16Å; E562-A565 CarbonylContact O-C 3.27Å; E562-A565 PolarHBondContact O-N 3.49Å; E562-A566 PolarHBondContact O-N 2.81Å
563	A	86.5	Confident	90.5	Very high	28 Å²	28	55.8 Å²	55.8	23%	0.231	29%	0.289	C	S	.	.	H	α-helix	trans	-54.4	-42.1	-169.5	0	0	0	0	0	113.5	P522 I567	P522-A563 HydrophobicContact CG-CB 3.87Å; P522-A563 WeakPolarHBondContact CG-O 3.43Å; A563-I567 WeakPolarHBondContact O-CG1 3.27Å; A563-I567 PolarHBondContact O-N 3.39Å; A563-I567 VanDerWaalsContact O-N 3.13Å
564	M	85.9	Confident	89.7	Confident	68 Å²	68	59.5 Å²	59.5	34%	0.335	31%	0.314	S	S	.	.	H	α-helix	trans	-72.9	-37.2	178.1	-63.2	-57.7	106.5	0	0	112.5	L7 E562 I567 F568	L7-M564 HydrophobicContact CD1-SD 4.39Å; L7-M564 HydrophobicContact CD2-SD 3.82Å; L7-M564 HydrophobicContact CG-SD 4.32Å; E562-M564 VanDerWaalsContact C-N 3.3Å; E562-M564 PolarHBondContact O-N 2.85Å; E562-M564 VanDerWaalsContact O-N 3.16Å; M564-I567 HydrophobicContact CE-CD1 3.74Å; M564-I567 PolarHBondContact O-N 3.33Å; M564-I567 HydrophobicContact SD-CD1 4.4Å; M564-F568 WeakPolarHBondContact O-CB 3.33Å; M564-F568 PolarHBondContact O-N 2.61Å
565	A	89.4	Confident	89.1	Confident	41 Å²	41	55.7 Å²	55.7	34%	0.339	30%	0.297	S	S	.	.	H	α-helix	trans	-67.7	-36.7	176.2	0	0	0	0	0	112	F561 E562 F568 K569	F561-A565 HydrophobicContact CB-CB 4.12Å; F561-A565 HydrophobicContact CD1-CB 4.19Å; E562-A565 CarbonylContact O-C 3.27Å; E562-A565 PolarHBondContact O-N 3.49Å; A565-F568 PolarHBondContact O-N 3.39Å; A565-K569 VanDerWaalsContact O-CB 3.28Å; A565-K569 WeakPolarHBondContact O-CB 3.46Å; A565-K569 PolarHBondContact O-N 3.23Å
566	A	91	Very high	88.8	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-46	172.3	0	0	0	0	0	111.5	Y523 F561 E562 F568 K569 I570	Y523-A566 HydrophobicContact CD1-CB 3.74Å; Y523-A566 HydrophobicContact CE1-CB 3.53Å; F561-A566 HydrophobicContact CB-CB 4.14Å; E562-A566 PolarHBondContact O-N 2.81Å; A566-F568 PolarHBondContact O-N 3.12Å; A566-K569 WeakPolarHBondContact O-CB 3.31Å; A566-K569 PolarHBondContact O-N 2.69Å; A566-I570 WeakPolarHBondContact O-CD1 3.43Å; A566-I570 WeakPolarHBondContact O-CG1 3.21Å; A566-I570 PolarHBondContact O-N 2.64Å
567	I	89.1	Confident	88.6	Confident	33 Å²	33	54.4 Å²	54.4	17%	0.169	30%	0.296	C	S	.	.	H	α-helix	trans	-57.5	-49.5	174.1	-75.1	168.4	0	0	0	111.2	P522 I530 A563 M564 K569 I570 A571	P522-I567 HydrophobicContact CB-CD1 3.73Å; P522-I567 HydrophobicContact CB-CG1 3.63Å; P522-I567 HydrophobicContact CG-CD1 3.96Å; P522-I567 HydrophobicContact CG-CG1 3.9Å; I530-I567 HydrophobicContact CD1-CG1 4.4Å; I530-I567 HydrophobicContact CD1-CG2 4.48Å; I530-I567 HydrophobicContact CG2-CG2 3.72Å; A563-I567 WeakPolarHBondContact O-CG1 3.27Å; A563-I567 PolarHBondContact O-N 3.39Å; A563-I567 VanDerWaalsContact O-N 3.13Å; M564-I567 HydrophobicContact CE-CD1 3.74Å; M564-I567 PolarHBondContact O-N 3.33Å; M564-I567 HydrophobicContact SD-CD1 4.4Å; I567-K569 VanDerWaalsContact C-N 3.33Å; I567-K569 PolarHBondContact O-N 2.82Å; I567-I570 PolarHBondContact O-N 3.08Å; I567-A571 WeakPolarHBondContact O-CB 3.29Å; I567-A571 PolarHBondContact O-N 3.09Å
568	F	88.3	Confident	88.3	Confident	97 Å²	97	61.5 Å²	61.5	43%	0.425	33%	0.333	S	S	.	.	H	α-helix	trans	-59.7	-43.3	177.8	-178.2	-89.7	0	0	0	111.7	L14 M564 A565 A566 A571 T572	L14-F568 HydrophobicContact CD1-CD2 4.39Å; L14-F568 HydrophobicContact CD2-CD2 3.87Å; L14-F568 HydrophobicContact CD2-CE2 3.77Å; M564-F568 WeakPolarHBondContact O-CB 3.33Å; M564-F568 PolarHBondContact O-N 2.61Å; A565-F568 PolarHBondContact O-N 3.39Å; A566-F568 PolarHBondContact O-N 3.12Å; F568-A571 PolarHBondContact O-N 2.83Å; F568-T572 HydrophobicContact CD2-CG2 4.35Å; F568-T572 HydrophobicContact CE1-CG2 4.42Å; F568-T572 WeakPolarHBondContact CE1-OG1 3.38Å; F568-T572 HydrophobicContact CE2-CG2 4.1Å; F568-T572 HydrophobicContact CZ-CG2 4.13Å; F568-T572 WeakPolarHBondContact O-CB 3.46Å; F568-T572 WeakPolarHBondContact O-CG2 3.35Å; F568-T572 PolarHBondContact O-N 2.96Å; F568-T572 VanDerWaalsContact O-N 3.08Å; F568-T572 PolarHBondContact O-OG1 2.88Å
569	K	90.3	Very high	88.4	Confident	35 Å²	35	62.7 Å²	62.7	15%	0.152	34%	0.34	C	S	.	.	H	α-helix	trans	-59.9	-48.3	175.9	179.7	172.3	-172.7	73.1	0	111.8	W558 F561 A565 A566 I567 A571 T572 Q573	W558-K569 HydrophobicContact CB-CD 4.46Å; W558-K569 VanDerWaalsContact CD1-CE 3.4Å; W558-K569 HydrophobicContact CG-CD 4Å; F561-K569 HydrophobicContact CD2-CD 3.96Å; F561-K569 HydrophobicContact CE2-CD 3.56Å; F561-K569 HydrophobicContact CZ-CD 3.89Å; A565-K569 VanDerWaalsContact O-CB 3.28Å; A565-K569 WeakPolarHBondContact O-CB 3.46Å; A565-K569 PolarHBondContact O-N 3.23Å; A566-K569 WeakPolarHBondContact O-CB 3.31Å; A566-K569 PolarHBondContact O-N 2.69Å; I567-K569 VanDerWaalsContact C-N 3.33Å; I567-K569 PolarHBondContact O-N 2.82Å; K569-A571 VanDerWaalsContact C-N 3.3Å; K569-A571 PolarHBondContact O-N 2.86Å; K569-T572 PolarHBondContact O-N 2.78Å; K569-Q573 HydrophobicContact CG-CB 4.23Å; K569-Q573 HydrophobicContact CG-CG 4.45Å; K569-Q573 WeakPolarHBondContact O-CB 3.46Å; K569-Q573 PolarHBondContact O-N 2.88Å
570	I	91.1	Very high	88.4	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.015	34%	0.338	C	S	.	.	H	α-helix	trans	-63.4	-36.5	-179.5	-64.3	160.8	0	0	0	111.6	P527 I530 W542 W558 A566 I567 T575	P527-I570 HydrophobicContact CB-CG2 4.39Å; P527-I570 HydrophobicContact CG-CG2 3.82Å; I530-I570 HydrophobicContact CD1-CB 3.78Å; I530-I570 HydrophobicContact CD1-CD1 4.08Å; I530-I570 HydrophobicContact CD1-CG2 3.58Å; W542-I570 HydrophobicContact CH2-CG2 4.45Å; W542-I570 HydrophobicContact CZ2-CG2 3.84Å; W558-I570 HydrophobicContact CD2-CG1 4.3Å; W558-I570 HydrophobicContact CE3-CD1 3.67Å; W558-I570 HydrophobicContact CE3-CG1 3.53Å; W558-I570 HydrophobicContact CH2-CG1 4.25Å; W558-I570 HydrophobicContact CZ3-CD1 3.75Å; W558-I570 HydrophobicContact CZ3-CG1 3.51Å; A566-I570 WeakPolarHBondContact O-CD1 3.43Å; A566-I570 WeakPolarHBondContact O-CG1 3.21Å; A566-I570 PolarHBondContact O-N 2.64Å; I567-I570 PolarHBondContact O-N 3.08Å; I570-T575 HydrophobicContact CB-CG2 4.4Å; I570-T575 HydrophobicContact CG1-CG2 4.45Å; I570-T575 HydrophobicContact CG2-CG2 4.43Å
571	A	87.4	Confident	88.4	Confident	22 Å²	22	62.4 Å²	62.4	18%	0.182	35%	0.347	C	S	.	.	H	α-helix	trans	-79.2	-22.6	-178.9	0	0	0	0	0	115.1	I530 I567 F568 K569	I530-A571 HydrophobicContact CG2-CB 3.91Å; I567-A571 WeakPolarHBondContact O-CB 3.29Å; I567-A571 PolarHBondContact O-N 3.09Å; F568-A571 PolarHBondContact O-N 2.83Å; K569-A571 VanDerWaalsContact C-N 3.3Å; K569-A571 PolarHBondContact O-N 2.86Å
572	T	83.9	Confident	88.4	Confident	67 Å²	67	70.4 Å²	70.4	41%	0.411	38%	0.375	S	S	.	.	H	α-helix	trans	-127.1	-18.1	-167.4	65.8	0	0	0	0	115.9	L14 F568 K569	L14-T572 HydrophobicContact CD2-CG2 3.46Å; L14-T572 VanDerWaalsContact CD2-CG2 3.46Å; F568-T572 HydrophobicContact CD2-CG2 4.35Å; F568-T572 HydrophobicContact CE1-CG2 4.42Å; F568-T572 WeakPolarHBondContact CE1-OG1 3.38Å; F568-T572 HydrophobicContact CE2-CG2 4.1Å; F568-T572 HydrophobicContact CZ-CG2 4.13Å; F568-T572 WeakPolarHBondContact O-CB 3.46Å; F568-T572 WeakPolarHBondContact O-CG2 3.35Å; F568-T572 PolarHBondContact O-N 2.96Å; F568-T572 VanDerWaalsContact O-N 3.08Å; F568-T572 PolarHBondContact O-OG1 2.88Å; K569-T572 PolarHBondContact O-N 2.78Å
573	Q	85.1	Confident	88.7	Confident	80 Å²	80	64.3 Å²	64.3	37%	0.374	35%	0.348	S	S	.	.	S	Bend	trans	-118.2	161.4	-172.2	-57.2	-176.8	9.9	0	0	112.5	K569 T575	K569-Q573 HydrophobicContact CG-CB 4.23Å; K569-Q573 HydrophobicContact CG-CG 4.45Å; K569-Q573 WeakPolarHBondContact O-CB 3.46Å; K569-Q573 PolarHBondContact O-N 2.88Å; Q573-T575 PolarHBondContact O-N 2.94Å
574	P	78.7	Confident	89.2	Confident	124 Å²	124	64.6 Å²	64.6	81%	0.805	35%	0.348	S	S	*	.			trans	-56.9	130.3	166.3	-24.2	35.2	0	0	0	111.7
575	T	82.6	Confident	89.7	Confident	21 Å²	21	66.9 Å²	66.9	13%	0.129	36%	0.362	C	S	.	.			trans	-113.8	38.4	-165.1	28.3	0	0	0	0	113	W542 W558 I570 Q573 P577 F595	W542-T575 HydrophobicContact CH2-CG2 3.97Å; W542-T575 HydrophobicContact CZ2-CG2 4.34Å; W558-T575 HydrophobicContact CH2-CG2 3.93Å; W558-T575 HydrophobicContact CZ2-CG2 3.87Å; W558-T575 WeakPolarHBondContact CZ2-O 3.44Å; I570-T575 HydrophobicContact CB-CG2 4.4Å; I570-T575 HydrophobicContact CG1-CG2 4.45Å; I570-T575 HydrophobicContact CG2-CG2 4.43Å; Q573-T575 PolarHBondContact O-N 2.94Å; T575-P577 WeakPolarHBondContact O-CD 3.43Å; T575-F595 WeakPolarHBondContact O-CB 3.44Å; T575-F595 VanDerWaalsContact O-CD1 3.25Å; T575-F595 WeakPolarHBondContact O-CD1 3.41Å
576	N	88.6	Confident	90	Very high	116 Å²	116	67.5 Å²	67.5	62%	0.62	36%	0.357	S	S	*	.			trans	-81.3	115.2	171.6	-170	31.1	0	0	0	109.9
577	P	90.1	Very high	90.3	Very high	8 Å²	8	67.5 Å²	67.5	5%	0.052	36%	0.358	C	S	.	.			trans	-74.6	153.6	-179.1	32.1	-36.7	0	0	0	112.1	V549 P557 T575 I591 F595	V549-P577 HydrophobicContact CG2-CB 3.92Å; V549-P577 HydrophobicContact CG2-CG 3.76Å; P557-P577 HydrophobicContact CB-CB 4.09Å; P557-P577 HydrophobicContact CG-CB 4.1Å; T575-P577 WeakPolarHBondContact O-CD 3.43Å; P577-I591 HydrophobicContact CG-CG2 3.58Å; P577-F595 HydrophobicContact CG-CD2 3.88Å; P577-F595 HydrophobicContact CG-CE2 3.73Å; P577-F595 HydrophobicContact CG-CG 4.37Å; P577-F595 HydrophobicContact CG-CZ 4.1Å
578	L	88.9	Confident	90.6	Very high	155 Å²	155	69.7 Å²	69.7	81%	0.812	36%	0.364	S	S	*	.			trans	-78.1	129.6	171.9	-63.2	177.3	0	0	0	110.1
579	L	94.2	Very high	91.1	Very high	36 Å²	36	68 Å²	68	19%	0.188	36%	0.359	C	S	.	.			trans	-108.3	157.2	174.1	-65.4	177.1	0	0	0	110.5	V549 L552 A583 R588 I591	V549-L579 HydrophobicContact CG2-CD2 3.88Å; L552-L579 HydrophobicContact CD1-CD2 4.22Å; L579-A583 HydrophobicContact CB-CB 4.31Å; L579-R588 HydrophobicContact CD1-CG 4.13Å; L579-I591 HydrophobicContact CD1-CB 4.15Å; L579-I591 HydrophobicContact CD1-CG1 4.02Å; L579-I591 HydrophobicContact CD1-CG2 4.24Å; L579-I591 HydrophobicContact CD2-CG1 4.28Å
580	P	93.6	Very high	91.4	Very high	40 Å²	40	66.3 Å²	66.3	26%	0.26	35%	0.352	S	S	.	.			trans	-54.4	142.4	174.4	-25.7	34.7	0	0	0	112.1	L552 T553 R582 A583	L552-P580 HydrophobicContact CB-CG 4.23Å; L552-P580 WeakPolarHBondContact O-CG 3.34Å; T553-P580 HydrophobicContact CG2-CG 4.05Å; P580-R582 PolarHBondContact O-N 3.36Å; P580-A583 VanDerWaalsContact O-CB 3.29Å; P580-A583 WeakPolarHBondContact O-CB 3.33Å; P580-A583 PolarHBondContact O-N 2.96Å
581	P	91.8	Very high	91.7	Very high	125 Å²	125	66.2 Å²	66.2	81%	0.812	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-28.1	177.3	-28.1	35.7	0	0	0	113.8	R588	P581-R588 PolarHBondContact O-NH2 2.8Å
582	R	90.8	Very high	92.1	Very high	242 Å²	242	72.2 Å²	72.2	91%	0.913	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-1.3	178.1	-64.2	-177.1	179	170.5	-0.5	115.1	P580	P580-R582 PolarHBondContact O-N 3.36Å
583	A	95.1	Very high	92.7	Very high	9 Å²	9	71.3 Å²	71.3	7%	0.074	37%	0.365	C	S	.	.			trans	-60.6	147	174.6	0	0	0	0	0	110.8	L579 P580 A587 R588	L579-A583 HydrophobicContact CB-CB 4.31Å; P580-A583 VanDerWaalsContact O-CB 3.29Å; P580-A583 WeakPolarHBondContact O-CB 3.33Å; P580-A583 PolarHBondContact O-N 2.96Å; A583-A587 HydrophobicContact CB-CB 4.36Å; A583-R588 PolarHBondContact O-NH1 3.12Å; A583-R588 PolarHBondContact O-NH2 2.94Å
584	S	96.4	Very high	93.3	Very high	34 Å²	34	67.5 Å²	67.5	24%	0.238	35%	0.347	C	S	.	.			trans	-73.7	159	173.5	70.4	0	0	0	0	111.6	E454 Q586 A587 R588	E454-S584 VanDerWaalsContact CD-OG 3.22Å; E454-S584 WeakPolarHBondContact OE1-CB 3.33Å; E454-S584 PolarHBondContact OE1-OG 3.27Å; E454-S584 WeakPolarHBondContact OE2-CB 3.47Å; E454-S584 PolarHBondContact OE2-N 2.94Å; E454-S584 PolarHBondContact OE2-OG 3.26Å; S584-Q586 PolarHBondContact O-N 3.47Å; S584-A587 WeakPolarHBondContact O-CB 3.47Å; S584-A587 PolarHBondContact O-N 3.23Å; S584-A587 PolarHBondContact OG-N 3.49Å; S584-R588 PolarHBondContact O-N 3.15Å
585	D	96.5	Very high	94.1	Very high	117 Å²	117	62.5 Å²	62.5	63%	0.626	31%	0.313	S	S	*	.	H	α-helix	trans	-67.8	-24	175.2	-61.1	-44.8	0	0	0	112.3	R588 D589	D585-R588 PolarHBondContact O-N 2.89Å; D585-R588 WeakPolarHBondContact OD1-CD 3.45Å; D585-R588 IonicContact OD1-CZ 3.74Å; D585-R588 IonicContact OD1-NE 3.99Å; D585-R588 IonicContact OD1-NH1 2.76Å; D585-R588 PolarHBondContact OD1-NH1 2.84Å; D585-D589 WeakPolarHBondContact O-CB 3.48Å; D585-D589 PolarHBondContact O-N 2.95Å
586	Q	96.5	Very high	94.6	Very high	53 Å²	53	64 Å²	64	25%	0.248	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-43.4	167.7	-62.5	-179.4	-4.9	0	0	111.7	R458 S584 D589 F590 P611 F612	R458-Q586 VanDerWaalsContact NH2-OE1 3.08Å; S584-Q586 PolarHBondContact O-N 3.47Å; Q586-D589 PolarHBondContact O-N 2.9Å; Q586-F590 WeakPolarHBondContact O-CB 3.07Å; Q586-F590 PolarHBondContact O-N 2.96Å; Q586-P611 HydrophobicContact CG-CB 4.28Å; Q586-F612 HydrophobicContact CB-CB 4.12Å; Q586-F612 HydrophobicContact CB-CD2 4.25Å
587	A	96.6	Very high	94.7	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-67.1	-41.8	177.3	0	0	0	0	0	111.3	A583 S584 D589 I591 F612	A583-A587 HydrophobicContact CB-CB 4.36Å; S584-A587 WeakPolarHBondContact O-CB 3.47Å; S584-A587 PolarHBondContact O-N 3.23Å; S584-A587 PolarHBondContact OG-N 3.49Å; A587-D589 PolarHBondContact O-N 3.48Å; A587-I591 WeakPolarHBondContact O-CB 3.28Å; A587-I591 VanDerWaalsContact O-CG1 3.29Å; A587-I591 WeakPolarHBondContact O-CG1 3.49Å; A587-I591 PolarHBondContact O-N 2.98Å; A587-F612 HydrophobicContact CB-CD2 3.84Å; A587-F612 HydrophobicContact CB-CE2 3.55Å; A587-F612 HydrophobicContact CB-CZ 4.23Å
588	R	97	Very high	94.9	Very high	79 Å²	79	65 Å²	65	30%	0.298	33%	0.327	S	S	.	.	H	α-helix	trans	-59.9	-44.2	174.2	-67.4	-178.7	-179.6	97.4	18	112.1	L579 P581 A583 S584 D585 R592	L579-R588 HydrophobicContact CD1-CG 4.13Å; P581-R588 PolarHBondContact O-NH2 2.8Å; A583-R588 PolarHBondContact O-NH1 3.12Å; A583-R588 PolarHBondContact O-NH2 2.94Å; S584-R588 PolarHBondContact O-N 3.15Å; D585-R588 PolarHBondContact O-N 2.89Å; D585-R588 WeakPolarHBondContact OD1-CD 3.45Å; D585-R588 IonicContact OD1-CZ 3.74Å; D585-R588 IonicContact OD1-NE 3.99Å; D585-R588 IonicContact OD1-NH1 2.76Å; D585-R588 PolarHBondContact OD1-NH1 2.84Å; R588-R592 VanDerWaalsContact O-CB 3.31Å; R588-R592 WeakPolarHBondContact O-CB 3.45Å; R588-R592 PolarHBondContact O-N 2.95Å
589	D	96.9	Very high	95	Very high	60 Å²	60	64.1 Å²	64.1	32%	0.321	32%	0.316	S	S	.	.	H	α-helix	trans	-72.9	-41.6	-177.5	-154.9	48.3	0	0	0	112.1	D585 Q586 A587 I591 R592 C593 H610	D585-D589 WeakPolarHBondContact O-CB 3.48Å; D585-D589 PolarHBondContact O-N 2.95Å; Q586-D589 PolarHBondContact O-N 2.9Å; A587-D589 PolarHBondContact O-N 3.48Å; D589-I591 VanDerWaalsContact C-N 3.28Å; D589-I591 PolarHBondContact O-N 2.77Å; D589-R592 WeakPolarHBondContact O-CB 3.28Å; D589-R592 PolarHBondContact O-N 2.91Å; D589-R592 VanDerWaalsContact O-N 3.09Å; D589-R592 IonicContact OD1-CZ 3.37Å; D589-R592 IonicContact OD1-NH1 2.67Å; D589-R592 PolarHBondContact OD1-NH1 2.8Å; D589-C593 PolarHBondContact O-N 3.07Å; D589-C593 PolarHBondContact O-SG 2.9Å; D589-C593 VanDerWaalsContact O-SG 3.32Å; D589-H610 IonicContact OD2-NE2 3.92Å
590	F	97.6	Very high	95.1	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-54.5	-45	173.7	-177.7	-93.6	0	0	0	112	T461 L465 L544 V548 Q586 I594 L607 H610 F612	T461-F590 HydrophobicContact CG2-CE1 3.71Å; T461-F590 HydrophobicContact CG2-CE2 4.14Å; T461-F590 HydrophobicContact CG2-CZ 3.36Å; L465-F590 HydrophobicContact CD1-CE2 4.11Å; L465-F590 HydrophobicContact CD1-CZ 4.07Å; L544-F590 HydrophobicContact CD2-CZ 4.35Å; V548-F590 HydrophobicContact CG2-CE1 4.07Å; Q586-F590 WeakPolarHBondContact O-CB 3.07Å; Q586-F590 PolarHBondContact O-N 2.96Å; F590-I594 HydrophobicContact CD1-CD1 3.85Å; F590-I594 HydrophobicContact CE1-CD1 3.42Å; F590-I594 VanDerWaalsContact CE1-CD1 3.42Å; F590-I594 HydrophobicContact CZ-CD1 3.86Å; F590-I594 WeakPolarHBondContact O-CG1 3.32Å; F590-I594 PolarHBondContact O-N 3.45Å; F590-L607 HydrophobicContact CD2-CD2 4.02Å; F590-L607 HydrophobicContact CE2-CB 4.16Å; F590-L607 HydrophobicContact CE2-CD1 4.47Å; F590-L607 HydrophobicContact CE2-CD2 3.72Å; F590-L607 HydrophobicContact CE2-CG 4.33Å; F590-L607 HydrophobicContact CZ-CD1 4.34Å; F590-L607 HydrophobicContact CZ-CD2 4.3Å; F590-H610 HydrophobicContact CD2-CB 4.1Å; F590-H610 AromaticContact CD2-CG 3.82Å; F590-H610 AromaticContact CD2-ND1 3.55Å; F590-H610 PolarHBondContact N-CE1 2.69Å; F590-F612 HydrophobicContact CB-CB 3.79Å; F590-F612 HydrophobicContact CB-CD1 3.9Å; F590-F612 HydrophobicContact CB-CG 3.97Å; F590-F612 AromaticContact CD1-CD1 3.76Å; F590-F612 HydrophobicContact CD1-CD1 3.76Å; F590-F612 HydrophobicContact CD1-CE1 4.16Å; F590-F612 HydrophobicContact CD2-CB 4Å; F590-F612 AromaticContact CD2-CD1 3.82Å; F590-F612 HydrophobicContact CD2-CD1 3.82Å; F590-F612 HydrophobicContact CD2-CG 4.35Å; F590-F612 HydrophobicContact CE1-CD1 4.21Å; F590-F612 HydrophobicContact CE1-CE1 4.46Å; F590-F612 HydrophobicContact CE2-CD1 4.24Å; F590-F612 HydrophobicContact CG-CB 4.07Å; F590-F612 AromaticContact CG-CD1 3.55Å; F590-F612 HydrophobicContact CG-CD1 3.55Å; F590-F612 HydrophobicContact CG-CE1 4.39Å; F590-F612 HydrophobicContact CG-CG 4.1Å; F590-F612 HydrophobicContact CZ-CD1 4.44Å
591	I	97.5	Very high	95.2	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-67.1	-46.9	175.8	-69.7	-66.6	0	0	0	110.7	V548 V549 P577 L579 A587 D589 C593 I594 F595	V548-I591 HydrophobicContact CB-CD1 4.04Å; V548-I591 HydrophobicContact CG1-CD1 3.93Å; V549-I591 HydrophobicContact CG2-CD1 4.03Å; P577-I591 HydrophobicContact CG-CG2 3.58Å; L579-I591 HydrophobicContact CD1-CB 4.15Å; L579-I591 HydrophobicContact CD1-CG1 4.02Å; L579-I591 HydrophobicContact CD1-CG2 4.24Å; L579-I591 HydrophobicContact CD2-CG1 4.28Å; A587-I591 WeakPolarHBondContact O-CB 3.28Å; A587-I591 VanDerWaalsContact O-CG1 3.29Å; A587-I591 WeakPolarHBondContact O-CG1 3.49Å; A587-I591 PolarHBondContact O-N 2.98Å; D589-I591 VanDerWaalsContact C-N 3.28Å; D589-I591 PolarHBondContact O-N 2.77Å; I591-C593 VanDerWaalsContact C-N 3.27Å; I591-C593 PolarHBondContact O-N 3.26Å; I591-I594 PolarHBondContact O-N 2.9Å; I591-F595 HydrophobicContact CD1-CE2 4.19Å; I591-F595 HydrophobicContact CG2-CD2 3.72Å; I591-F595 HydrophobicContact CG2-CE2 4Å; I591-F595 WeakPolarHBondContact O-CD2 3.44Å; I591-F595 PolarHBondContact O-N 3.01Å
592	R	95.9	Very high	95.5	Very high	148 Å²	148	62 Å²	62	56%	0.558	29%	0.293	S	S	*	.	H	α-helix	trans	-55.5	-39.2	176.5	-173.8	-169.1	-65.6	143.4	-6.6	112.5	R588 D589 I594 V596	R588-R592 VanDerWaalsContact O-CB 3.31Å; R588-R592 WeakPolarHBondContact O-CB 3.45Å; R588-R592 PolarHBondContact O-N 2.95Å; D589-R592 WeakPolarHBondContact O-CB 3.28Å; D589-R592 PolarHBondContact O-N 2.91Å; D589-R592 VanDerWaalsContact O-N 3.09Å; D589-R592 IonicContact OD1-CZ 3.37Å; D589-R592 IonicContact OD1-NH1 2.67Å; D589-R592 PolarHBondContact OD1-NH1 2.8Å; R592-I594 VanDerWaalsContact C-N 3.29Å; R592-I594 PolarHBondContact O-N 2.78Å; R592-V596 WeakPolarHBondContact O-CG1 3.33Å
593	C	96.3	Very high	95.8	Very high	48 Å²	48	52.2 Å²	52.2	32%	0.324	26%	0.262	S	S	.	.	H	α-helix	trans	-68.5	-23.9	176.3	-68.2	0	0	0	0	113.7	D589 I591 V596 P602	D589-C593 PolarHBondContact O-N 3.07Å; D589-C593 PolarHBondContact O-SG 2.9Å; D589-C593 VanDerWaalsContact O-SG 3.32Å; I591-C593 VanDerWaalsContact C-N 3.27Å; I591-C593 PolarHBondContact O-N 3.26Å; C593-V596 WeakPolarHBondContact O-CG2 3.39Å; C593-P602 HydrophobicContact CB-CG 4.49Å; C593-P602 WeakPolarHBondContact O-CD 3.49Å
594	I	96.9	Very high	95.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-88.9	-42.5	-178.6	-70.3	169.9	0	0	0	112.1	V541 F590 I591 R592 V596 R601 L607	V541-I594 HydrophobicContact CG1-CG1 4.09Å; V541-I594 HydrophobicContact CG1-CG2 4.35Å; V541-I594 VanDerWaalsContact O-CG2 3.29Å; V541-I594 WeakPolarHBondContact O-CG2 3.43Å; F590-I594 HydrophobicContact CD1-CD1 3.85Å; F590-I594 HydrophobicContact CE1-CD1 3.42Å; F590-I594 VanDerWaalsContact CE1-CD1 3.42Å; F590-I594 HydrophobicContact CZ-CD1 3.86Å; F590-I594 WeakPolarHBondContact O-CG1 3.32Å; F590-I594 PolarHBondContact O-N 3.45Å; I591-I594 PolarHBondContact O-N 2.9Å; R592-I594 VanDerWaalsContact C-N 3.29Å; R592-I594 PolarHBondContact O-N 2.78Å; I594-V596 PolarHBondContact O-N 3.02Å; I594-R601 WeakPolarHBondContact O-CD 3.3Å; I594-R601 WeakPolarHBondContact O-CG 3.5Å; I594-R601 PolarHBondContact O-NE 3.19Å; I594-R601 VanDerWaalsContact O-NE 3.08Å; I594-L607 HydrophobicContact CD1-CD1 3.85Å; I594-L607 HydrophobicContact CD1-CD2 4.41Å; I594-L607 HydrophobicContact CG1-CD1 3.95Å; I594-L607 HydrophobicContact CG1-CD2 4.27Å
595	F	95.5	Very high	96	Very high	19 Å²	19	55 Å²	55	8%	0.083	27%	0.269	C	S	.	.	S	Bend	trans	-82.2	58.6	-175.9	-71.8	-83.8	0	0	0	112.4	W542 P557 W558 T575 P577 I591	W542-F595 HydrophobicContact CD2-CD1 4.06Å; W542-F595 AromaticContact CD2-CE1 3.95Å; W542-F595 HydrophobicContact CD2-CE1 3.95Å; W542-F595 AromaticContact CE2-CE1 3.73Å; W542-F595 AromaticContact CE3-CD1 3.8Å; W542-F595 HydrophobicContact CE3-CD1 3.8Å; W542-F595 HydrophobicContact CE3-CE1 4.18Å; W542-F595 AromaticContact CH2-CD1 3.62Å; W542-F595 HydrophobicContact CH2-CD1 3.62Å; W542-F595 HydrophobicContact CH2-CE1 4.14Å; W542-F595 AromaticContact CZ2-CD1 3.81Å; W542-F595 HydrophobicContact CZ2-CD1 3.81Å; W542-F595 AromaticContact CZ2-CE1 3.83Å; W542-F595 HydrophobicContact CZ2-CE1 3.83Å; W542-F595 HydrophobicContact CZ3-CB 4.42Å; W542-F595 AromaticContact CZ3-CD1 3.59Å; W542-F595 HydrophobicContact CZ3-CD1 3.59Å; W542-F595 HydrophobicContact CZ3-CE1 4.28Å; W542-F595 HydrophobicContact CZ3-CG 4.38Å; P557-F595 HydrophobicContact CG-CZ 4.34Å; W558-F595 HydrophobicContact CH2-CD1 4.04Å; W558-F595 AromaticContact CH2-CE1 3.69Å; W558-F595 HydrophobicContact CH2-CE1 3.69Å; W558-F595 HydrophobicContact CZ2-CE1 4.47Å; W558-F595 HydrophobicContact CZ3-CE1 4.46Å; T575-F595 WeakPolarHBondContact O-CB 3.44Å; T575-F595 VanDerWaalsContact O-CD1 3.25Å; T575-F595 WeakPolarHBondContact O-CD1 3.41Å; P577-F595 HydrophobicContact CG-CD2 3.88Å; P577-F595 HydrophobicContact CG-CE2 3.73Å; P577-F595 HydrophobicContact CG-CG 4.37Å; P577-F595 HydrophobicContact CG-CZ 4.1Å; I591-F595 HydrophobicContact CD1-CE2 4.19Å; I591-F595 HydrophobicContact CG2-CD2 3.72Å; I591-F595 HydrophobicContact CG2-CE2 4Å; I591-F595 WeakPolarHBondContact O-CD2 3.44Å; I591-F595 PolarHBondContact O-N 3.01Å
596	V	94.1	Very high	96	Very high	53 Å²	53	54.4 Å²	54.4	32%	0.321	26%	0.263	S	S	.	.	S	Bend	trans	-131.2	173.8	177	-61.5	0	0	0	0	111	R592 C593 I594 H600 R601	R592-V596 WeakPolarHBondContact O-CG1 3.33Å; C593-V596 WeakPolarHBondContact O-CG2 3.39Å; I594-V596 PolarHBondContact O-N 3.02Å; V596-H600 HydrophobicContact CG2-CB 4.24Å; V596-R601 HydrophobicContact CG2-CB 3.9Å; V596-R601 HydrophobicContact CG2-CG 4.47Å; V596-R601 PolarHBondContact O-NE 3.04Å; V596-R601 PolarHBondContact O-NH2 3.47Å
597	E	91.4	Very high	96.1	Very high	118 Å²	118	52 Å²	52	55%	0.551	25%	0.252	S	S	*	.			trans	-50.9	139.3	171.6	-68.9	-168.6	-117	0	0	112.3	K599 H600 R601	E597-K599 HydrophobicContact CB-CG 4.28Å; E597-K599 PolarHBondContact O-N 2.69Å; E597-K599 IonicContact OE1-NZ 2.69Å; E597-K599 PolarHBondContact OE1-NZ 2.69Å; E597-K599 WeakPolarHBondContact OE2-CE 3.48Å; E597-K599 IonicContact OE2-NZ 2.61Å; E597-K599 PolarHBondContact OE2-NZ 3.35Å; E597-H600 PolarHBondContact O-N 2.85Å; E597-R601 PolarHBondContact O-N 3.4Å
598	A	92.6	Very high	96.1	Very high	27 Å²	27	53.5 Å²	53.5	22%	0.223	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.8	-174.6	0	0	0	0	0	114.5	E528 K538	E528-A598 HydrophobicContact CG-CB 4.02Å; K538-A598 HydrophobicContact CB-CB 4.3Å; K538-A598 WeakPolarHBondContact CD-O 3.31Å; K538-A598 WeakPolarHBondContact CG-O 3.35Å
599	K	92.3	Very high	96.1	Very high	136 Å²	136	57.2 Å²	57.2	59%	0.591	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-28.6	176.7	77.1	-162.5	-172.4	-150.2	0	113.7	E597	E597-K599 HydrophobicContact CB-CG 4.28Å; E597-K599 PolarHBondContact O-N 2.69Å; E597-K599 IonicContact OE1-NZ 2.69Å; E597-K599 PolarHBondContact OE1-NZ 2.69Å; E597-K599 WeakPolarHBondContact OE2-CE 3.48Å; E597-K599 IonicContact OE2-NZ 2.61Å; E597-K599 PolarHBondContact OE2-NZ 3.35Å
600	H	95.1	Very high	96.1	Very high	133 Å²	133	55.7 Å²	55.7	62%	0.616	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-22.8	-178.6	-66.4	-49.7	0	0	0	113.3	V596 E597	V596-H600 HydrophobicContact CG2-CB 4.24Å; E597-H600 PolarHBondContact O-N 2.85Å
601	R	96	Very high	96	Very high	1 Å²	1	59.1 Å²	59.1	0%	0.004	29%	0.287	C	S	.	.	S	Bend	trans	-54.3	133.7	175.5	-165.9	178.7	-52.4	138.7	9	110	E528 K538 V541 I594 V596 E597	E528-R601 IonicContact OE1-CZ 2.7Å; E528-R601 IonicContact OE1-NH1 2.69Å; E528-R601 PolarHBondContact OE1-NH1 3.28Å; E528-R601 IonicContact OE1-NH2 2.7Å; E528-R601 IonicContact OE2-CZ 3.2Å; E528-R601 IonicContact OE2-NH1 2.78Å; E528-R601 PolarHBondContact OE2-NH1 3.09Å; E528-R601 IonicContact OE2-NH2 2.65Å; E528-R601 PolarHBondContact OE2-NH2 2.98Å; K538-R601 HydrophobicContact CD-CB 4.45Å; K538-R601 WeakPolarHBondContact CD-O 3.31Å; K538-R601 WeakPolarHBondContact CE-O 3.39Å; K538-R601 PolarHBondContact NZ-O 3.5Å; K538-R601 VanDerWaalsContact O-CD 3.32Å; K538-R601 WeakPolarHBondContact O-CD 3.47Å; K538-R601 PolarHBondContact O-NH1 2.97Å; V541-R601 HydrophobicContact CG1-CG 3.92Å; I594-R601 WeakPolarHBondContact O-CD 3.3Å; I594-R601 WeakPolarHBondContact O-CG 3.5Å; I594-R601 PolarHBondContact O-NE 3.19Å; I594-R601 VanDerWaalsContact O-NE 3.08Å; V596-R601 HydrophobicContact CG2-CB 3.9Å; V596-R601 HydrophobicContact CG2-CG 4.47Å; V596-R601 PolarHBondContact O-NE 3.04Å; V596-R601 PolarHBondContact O-NH2 3.47Å; E597-R601 PolarHBondContact O-N 3.4Å
602	P	97.7	Very high	96	Very high	24 Å²	24	59 Å²	59	16%	0.156	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-67.7	168.4	-179	26.9	-34.6	0	0	0	112.8	C593 E606 L607	C593-P602 HydrophobicContact CB-CG 4.49Å; C593-P602 WeakPolarHBondContact O-CD 3.49Å; P602-E606 HydrophobicContact CB-CB 4.04Å; P602-L607 HydrophobicContact CB-CD2 4.23Å; P602-L607 HydrophobicContact CB-CG 4.05Å; P602-L607 HydrophobicContact CG-CD1 4.12Å; P602-L607 HydrophobicContact CG-CD2 3.48Å; P602-L607 VanDerWaalsContact CG-CD2 3.48Å; P602-L607 HydrophobicContact CG-CG 3.64Å
603	S	98.1	Very high	95.7	Very high	36 Å²	36	52 Å²	52	25%	0.252	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-83.7	168	166.5	66.9	0	0	0	0	112.1	E605 E606 L607	S603-E605 VanDerWaalsContact C-N 3.26Å; S603-E605 PolarHBondContact O-N 3.45Å; S603-E606 WeakPolarHBondContact CA-OE2 3.29Å; S603-E606 WeakPolarHBondContact CB-OE2 3.47Å; S603-E606 PolarHBondContact N-OE2 3.38Å; S603-E606 PolarHBondContact O-N 3.02Å; S603-E606 WeakPolarHBondContact OG-CG 3.28Å; S603-E606 PolarHBondContact OG-N 2.85Å; S603-E606 PolarHBondContact OG-OE2 3.29Å; S603-L607 WeakPolarHBondContact O-CB 3.48Å; S603-L607 WeakPolarHBondContact O-CG 3.46Å; S603-L607 PolarHBondContact O-N 3.33Å
604	A	97.8	Very high	95.3	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-60.3	-35.1	173.2	0	0	0	0	0	112.8	L465 M468 L607 L608	L465-A604 HydrophobicContact CD2-CB 4.02Å; M468-A604 HydrophobicContact CB-CB 3.87Å; M468-A604 HydrophobicContact CE-CB 4.42Å; A604-L607 PolarHBondContact O-N 2.92Å; A604-L608 WeakPolarHBondContact O-CG 3.3Å; A604-L608 PolarHBondContact O-N 3.49Å
605	E	96.9	Very high	94.1	Very high	99 Å²	99	57.6 Å²	57.6	46%	0.463	28%	0.283	S	S	.	.	H	α-helix	trans	-71.7	-37.8	179.7	-163.2	-159.1	121.4	0	0	112.4	S603 R609	S603-E605 VanDerWaalsContact C-N 3.26Å; S603-E605 PolarHBondContact O-N 3.45Å; E605-R609 PolarHBondContact O-NH1 3.38Å; E605-R609 IonicContact OE1-CZ 3.82Å; E605-R609 IonicContact OE1-NH1 2.69Å; E605-R609 PolarHBondContact OE1-NH1 3.14Å; E605-R609 IonicContact OE1-NH2 3.96Å; E605-R609 PolarHBondContact OE1-NH2 3Å
606	E	97.8	Very high	92.3	Very high	105 Å²	105	63.3 Å²	63.3	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-67.5	-42.4	172	-70	159.1	122.4	0	0	110.9	P602 S603 L608 R609	P602-E606 HydrophobicContact CB-CB 4.04Å; S603-E606 WeakPolarHBondContact CA-OE2 3.29Å; S603-E606 WeakPolarHBondContact CB-OE2 3.47Å; S603-E606 PolarHBondContact N-OE2 3.38Å; S603-E606 PolarHBondContact O-N 3.02Å; S603-E606 WeakPolarHBondContact OG-CG 3.28Å; S603-E606 PolarHBondContact OG-N 2.85Å; S603-E606 PolarHBondContact OG-OE2 3.29Å; E606-L608 VanDerWaalsContact C-N 3.33Å; E606-L608 PolarHBondContact O-N 2.98Å; E606-R609 WeakPolarHBondContact O-CB 3.42Å; E606-R609 PolarHBondContact O-N 3.08Å
607	L	98.1	Very high	89.8	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.016	36%	0.358	C	S	.	.	H	α-helix	trans	-63.8	-34.3	175.7	-75.2	177.6	0	0	0	112.8	L465 V541 L544 F590 I594 P602 S603 A604 R609 H610 S613	L465-L607 HydrophobicContact CD1-CB 3.88Å; L465-L607 HydrophobicContact CD2-CB 3.62Å; L465-L607 HydrophobicContact CD2-CD1 4Å; L465-L607 HydrophobicContact CD2-CG 4.49Å; L465-L607 HydrophobicContact CG-CB 4.43Å; V541-L607 HydrophobicContact CG1-CD1 3.52Å; L544-L607 HydrophobicContact CD2-CD1 4.39Å; F590-L607 HydrophobicContact CD2-CD2 4.02Å; F590-L607 HydrophobicContact CE2-CB 4.16Å; F590-L607 HydrophobicContact CE2-CD1 4.47Å; F590-L607 HydrophobicContact CE2-CD2 3.72Å; F590-L607 HydrophobicContact CE2-CG 4.33Å; F590-L607 HydrophobicContact CZ-CD1 4.34Å; F590-L607 HydrophobicContact CZ-CD2 4.3Å; I594-L607 HydrophobicContact CD1-CD1 3.85Å; I594-L607 HydrophobicContact CD1-CD2 4.41Å; I594-L607 HydrophobicContact CG1-CD1 3.95Å; I594-L607 HydrophobicContact CG1-CD2 4.27Å; P602-L607 HydrophobicContact CB-CD2 4.23Å; P602-L607 HydrophobicContact CB-CG 4.05Å; P602-L607 HydrophobicContact CG-CD1 4.12Å; P602-L607 HydrophobicContact CG-CD2 3.48Å; P602-L607 VanDerWaalsContact CG-CD2 3.48Å; P602-L607 HydrophobicContact CG-CG 3.64Å; S603-L607 WeakPolarHBondContact O-CB 3.48Å; S603-L607 WeakPolarHBondContact O-CG 3.46Å; S603-L607 PolarHBondContact O-N 3.33Å; A604-L607 PolarHBondContact O-N 2.92Å; L607-R609 PolarHBondContact O-N 3.4Å; L607-R609 VanDerWaalsContact O-N 3.12Å; L607-H610 WeakPolarHBondContact O-CB 3.03Å; L607-H610 PolarHBondContact O-N 3.4Å; L607-S613 PolarHBondContact O-OG 2.86Å
608	L	96.9	Very high	89.7	Confident	33 Å²	33	67.8 Å²	67.8	17%	0.173	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.9	172.7	-80.4	173.1	0	0	0	113.5	R462 L465 E466 A604 E606 Q614	R462-L608 HydrophobicContact CG-CD2 4.1Å; L465-L608 HydrophobicContact CB-CD2 3.47Å; L465-L608 VanDerWaalsContact CB-CD2 3.47Å; L465-L608 HydrophobicContact CB-CG 3.82Å; L465-L608 HydrophobicContact CD1-CD2 4.35Å; E466-L608 HydrophobicContact CG-CD2 3.96Å; A604-L608 WeakPolarHBondContact O-CG 3.3Å; A604-L608 PolarHBondContact O-N 3.49Å; E606-L608 VanDerWaalsContact C-N 3.33Å; E606-L608 PolarHBondContact O-N 2.98Å; L608-Q614 PolarHBondContact O-NE2 3.35Å
609	R	96.4	Very high	89.6	Confident	157 Å²	157	69.9 Å²	69.9	59%	0.592	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-17.7	176.8	-61.4	177.1	176.3	107.5	3.8	112.6	E605 E606 L607 Q614	E605-R609 PolarHBondContact O-NH1 3.38Å; E605-R609 IonicContact OE1-CZ 3.82Å; E605-R609 IonicContact OE1-NH1 2.69Å; E605-R609 PolarHBondContact OE1-NH1 3.14Å; E605-R609 IonicContact OE1-NH2 3.96Å; E605-R609 PolarHBondContact OE1-NH2 3Å; E606-R609 WeakPolarHBondContact O-CB 3.42Å; E606-R609 PolarHBondContact O-N 3.08Å; L607-R609 PolarHBondContact O-N 3.4Å; L607-R609 VanDerWaalsContact O-N 3.12Å; R609-Q614 VanDerWaalsContact CA-NE2 3.33Å; R609-Q614 PolarHBondContact O-NE2 3.31Å
610	H	97.4	Very high	89.4	Confident	27 Å²	27	66.2 Å²	66.2	13%	0.125	34%	0.342	C	S	.	.	S	Bend	trans	-62.3	141.7	-175.3	-168.6	-89.6	0	0	0	112.6	D589 F590 L607 F612 S613 Q614	D589-H610 IonicContact OD2-NE2 3.92Å; F590-H610 HydrophobicContact CD2-CB 4.1Å; F590-H610 AromaticContact CD2-CG 3.82Å; F590-H610 AromaticContact CD2-ND1 3.55Å; F590-H610 PolarHBondContact N-CE1 2.69Å; L607-H610 WeakPolarHBondContact O-CB 3.03Å; L607-H610 PolarHBondContact O-N 3.4Å; H610-F612 VanDerWaalsContact C-N 3.27Å; H610-F612 WeakPolarHBondContact ND1-CB 3.15Å; H610-F612 PolarHBondContact ND1-N 2.75Å; H610-F612 VanDerWaalsContact ND1-N 3.17Å; H610-F612 PolarHBondContact O-N 3.2Å; H610-S613 PolarHBondContact O-N 3.16Å; H610-S613 PolarHBondContact O-OG 3.11Å; H610-S613 VanDerWaalsContact O-OG 3.07Å; H610-Q614 PolarHBondContact O-N 3.14Å
611	P	96	Very high	89.1	Confident	72 Å²	72	62.3 Å²	62.3	47%	0.468	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-52.2	-41	-179.3	-30.3	36.4	0	0	0	114.2	Q586 S613 Q614	Q586-P611 HydrophobicContact CG-CB 4.28Å; P611-S613 VanDerWaalsContact C-N 3.27Å; P611-S613 PolarHBondContact O-N 2.97Å; P611-Q614 PolarHBondContact O-N 3.01Å; P611-Q614 VanDerWaalsContact O-N 3.13Å
612	F	96	Very high	88.7	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-55.4	-35.9	178	-177	-112.7	0	0	0	114.3	E454 T457 R458 T461 V548 Q586 A587 F590 H610	E454-F612 HydrophobicContact CG-CE2 3.75Å; E454-F612 HydrophobicContact CG-CZ 4.36Å; T457-F612 HydrophobicContact CG2-CZ 4.21Å; R458-F612 HydrophobicContact CB-CZ 4.48Å; R458-F612 VanDerWaalsContact CG-O 3.25Å; R458-F612 WeakPolarHBondContact CG-O 3.33Å; R458-F612 PolarHBondContact NE-O 2.85Å; T461-F612 HydrophobicContact CG2-CD1 4.33Å; T461-F612 HydrophobicContact CG2-CE1 4.09Å; V548-F612 HydrophobicContact CG1-CE1 4.09Å; V548-F612 HydrophobicContact CG1-CZ 4.38Å; Q586-F612 HydrophobicContact CB-CB 4.12Å; Q586-F612 HydrophobicContact CB-CD2 4.25Å; A587-F612 HydrophobicContact CB-CD2 3.84Å; A587-F612 HydrophobicContact CB-CE2 3.55Å; A587-F612 HydrophobicContact CB-CZ 4.23Å; F590-F612 HydrophobicContact CB-CB 3.79Å; F590-F612 HydrophobicContact CB-CD1 3.9Å; F590-F612 HydrophobicContact CB-CG 3.97Å; F590-F612 AromaticContact CD1-CD1 3.76Å; F590-F612 HydrophobicContact CD1-CD1 3.76Å; F590-F612 HydrophobicContact CD1-CE1 4.16Å; F590-F612 HydrophobicContact CD2-CB 4Å; F590-F612 AromaticContact CD2-CD1 3.82Å; F590-F612 HydrophobicContact CD2-CD1 3.82Å; F590-F612 HydrophobicContact CD2-CG 4.35Å; F590-F612 HydrophobicContact CE1-CD1 4.21Å; F590-F612 HydrophobicContact CE1-CE1 4.46Å; F590-F612 HydrophobicContact CE2-CD1 4.24Å; F590-F612 HydrophobicContact CG-CB 4.07Å; F590-F612 AromaticContact CG-CD1 3.55Å; F590-F612 HydrophobicContact CG-CD1 3.55Å; F590-F612 HydrophobicContact CG-CE1 4.39Å; F590-F612 HydrophobicContact CG-CG 4.1Å; F590-F612 HydrophobicContact CZ-CD1 4.44Å; H610-F612 VanDerWaalsContact C-N 3.27Å; H610-F612 WeakPolarHBondContact ND1-CB 3.15Å; H610-F612 PolarHBondContact ND1-N 2.75Å; H610-F612 VanDerWaalsContact ND1-N 3.17Å; H610-F612 PolarHBondContact O-N 3.2Å
613	S	90.9	Very high	88.1	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-97.9	3.2	-179.1	57.4	0	0	0	0	113.9	R462 L607 H610 P611	R462-S613 WeakPolarHBondContact CD-O 3.42Å; R462-S613 WeakPolarHBondContact CG-O 3.48Å; R462-S613 PolarHBondContact NH1-O 3.07Å; L607-S613 PolarHBondContact O-OG 2.86Å; H610-S613 PolarHBondContact O-N 3.16Å; H610-S613 PolarHBondContact O-OG 3.11Å; H610-S613 VanDerWaalsContact O-OG 3.07Å; P611-S613 VanDerWaalsContact C-N 3.27Å; P611-S613 PolarHBondContact O-N 2.97Å
614	Q	87.7	Confident	87.4	Confident	67 Å²	67	71.3 Å²	71.3	31%	0.313	37%	0.367	S	S	.	.	S	Bend	trans	-77	133.8	161	-53.9	-44.9	-21.9	0	0	109	R458 L608 R609 H610 P611 Q616	R458-Q614 WeakPolarHBondContact CD-O 3.25Å; L608-Q614 PolarHBondContact O-NE2 3.35Å; R609-Q614 VanDerWaalsContact CA-NE2 3.33Å; R609-Q614 PolarHBondContact O-NE2 3.31Å; H610-Q614 PolarHBondContact O-N 3.14Å; P611-Q614 PolarHBondContact O-N 3.01Å; P611-Q614 VanDerWaalsContact O-N 3.13Å; Q614-Q616 PolarHBondContact O-N 2.71Å
615	I	72.6	Confident	86.6	Confident	98 Å²	98	76.7 Å²	76.7	50%	0.503	39%	0.394	S	S	.	.			trans	-75.6	115.7	164.8	-62.1	168.4	0	0	0	105.1	C617	I615-C617 PolarHBondContact O-N 3.01Å
616	Q	57.3	Low	85.7	Confident	139 Å²	139	74.8 Å²	74.8	65%	0.65	39%	0.388	S	S	*	.			trans	-71.2	124	166	-68.6	178.7	-42.8	0	0	107.1	Q614	Q614-Q616 PolarHBondContact O-N 2.71Å
617	C	41.4	Very low	84.6	Confident	197 Å²	197	72.1 Å²	72.1	100%	1.331	38%	0.379	S	S	*	.			trans	-77.2	0	176.3	-59.1	0	0	0	0	111.2	I615	I615-C617 PolarHBondContact O-N 3.01Å

Retrieved 617 of 617 residues in 684.9 ms (Link to these results)

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