A0A096M6N9_POEFO Loading...

Pleckstrin homology and RhoGEF domain containing G5

AlphaFold DB , UniProt , Accession A0A096M6N9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 759 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	Q	41	Very low	53	Low	189 Å²	189	103 Å²	103	88%	0.883	54%	0.537	S	S	*	.				0	165	0	-69	170.6	-10.5	0	0	107.6	L19	Q1-L19 WeakPolarHBondContact O-CD2 3.43Å
2	V	49.5	Very low	52.8	Low	75 Å²	75	100.3 Å²	100.3	46%	0.455	52%	0.524	S	S	.	.			trans	-93.1	134.2	178.5	-174.6	0	0	0	0	109.1
3	C	50.3	Low	52.7	Low	19 Å²	19	101.1 Å²	101.1	13%	0.128	54%	0.543	C	S	.	.			trans	-78.8	133.3	173.2	-172.2	0	0	0	0	110.1	L19 C23	C3-L19 HydrophobicContact CB-CD2 3.86Å; C3-C23 VanDerWaalsContact SG-SG 3.61Å
4	H	54.5	Low	52.4	Low	142 Å²	142	107.6 Å²	107.6	66%	0.657	56%	0.564	S	S	*	*			trans	-118.8	8.9	178.3	-69.2	-67	0	0	0	113.7	Q9	H4-Q9 PolarHBondContact O-NE2 3.27Å
5	H	59.7	Low	52.1	Low	81 Å²	81	105.7 Å²	105.7	38%	0.375	56%	0.564	S	S	.	*			trans	-60	135.6	172.2	-74.9	157.4	0	0	0	110.9	D7 C8 C23	H5-D7 PolarHBondContact O-N 3.32Å; H5-C8 HydrophobicContact CB-CB 4.29Å; H5-C8 PolarHBondContact O-N 3.21Å; H5-C23 PolarHBondContact CE1-SG 3.26Å; H5-C23 PolarHBondContact ND1-SG 2.89Å
6	P	53.9	Low	51.6	Low	93 Å²	93	104.1 Å²	104.1	60%	0.604	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	-52.6	-176.9	-27	35.2	0	0	0	112.7	C8 Q9	P6-C8 PolarHBondContact O-N 3.08Å; P6-Q9 PolarHBondContact O-N 3.47Å
7	D	55.1	Low	51.2	Low	130 Å²	130	106.2 Å²	106.2	70%	0.695	57%	0.571	S	S	*	*	H	α-helix	trans	-61.6	-19.7	-174.8	-34.5	-48.4	0	0	0	113.3	H5	H5-D7 PolarHBondContact O-N 3.32Å
8	C	55.3	Low	51.2	Low	23 Å²	23	108.3 Å²	108.3	16%	0.155	58%	0.576	C	S	.	*	H	α-helix	trans	-91.9	-11.2	-179.8	-63.4	0	0	0	0	113.6	H5 P6 N12	H5-C8 HydrophobicContact CB-CB 4.29Å; H5-C8 PolarHBondContact O-N 3.21Å; P6-C8 PolarHBondContact O-N 3.08Å; C8-N12 PolarHBondContact O-ND2 2.84Å
9	Q	56.1	Low	51.3	Low	93 Å²	93	105.4 Å²	105.4	44%	0.435	56%	0.561	S	S	.	*	H	α-helix	trans	-82.3	-35.1	-178.2	-66.4	-174.2	36.3	0	0	112.7	H4 P6	H4-Q9 PolarHBondContact O-NE2 3.27Å; P6-Q9 PolarHBondContact O-N 3.47Å
10	D	55.4	Low	51.7	Low	140 Å²	140	102.1 Å²	102.1	75%	0.749	55%	0.545	S	S	*	.	H	α-helix	trans	-73.8	-40.2	-179.7	-70	-31.6	0	0	0	112.2	N12	D10-N12 PolarHBondContact O-N 2.9Å
11	L	52.3	Low	51.7	Low	148 Å²	148	103.9 Å²	103.9	78%	0.775	56%	0.555	S	S	*	*	H	α-helix	trans	-62.6	-38.5	176.4	-77.2	165.8	0	0	0	113.1	S13	L11-S13 PolarHBondContact O-N 3.38Å
12	N	50.2	Low	52.5	Low	70 Å²	70	98.1 Å²	98.1	37%	0.374	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	9.1	-172.9	-80.9	-42.8	0	0	0	114.9	C8 D10 K14 S15	C8-N12 PolarHBondContact O-ND2 2.84Å; D10-N12 PolarHBondContact O-N 2.9Å; N12-K14 PolarHBondContact O-N 3.07Å; N12-S15 WeakPolarHBondContact O-CB 3.46Å; N12-S15 PolarHBondContact O-N 3.15Å
13	S	52.3	Low	52.9	Low	111 Å²	111	95.4 Å²	95.4	78%	0.776	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	31.6	175.9	-62.5	0	0	0	0	114.3	L11 S15	L11-S13 PolarHBondContact O-N 3.38Å; S13-S15 VanDerWaalsContact C-N 3.29Å; S13-S15 PolarHBondContact O-N 2.85Å
14	K	48	Very low	53.2	Low	192 Å²	192	98 Å²	98	84%	0.835	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	22	-175.9	-53.4	179.9	-178.6	178.1	0	115.8	N12	N12-K14 PolarHBondContact O-N 3.07Å
15	S	47.4	Very low	53.2	Low	80 Å²	80	95 Å²	95	56%	0.559	53%	0.528	S	S	*	.			trans	-80.8	130.6	169.5	-170.4	0	0	0	0	111.5	N12 S13 L17	N12-S15 WeakPolarHBondContact O-CB 3.46Å; N12-S15 PolarHBondContact O-N 3.15Å; S13-S15 VanDerWaalsContact C-N 3.29Å; S13-S15 PolarHBondContact O-N 2.85Å; S15-L17 PolarHBondContact O-N 3.14Å
16	P	44.1	Very low	52.8	Low	80 Å²	80	100.4 Å²	100.4	52%	0.519	55%	0.545	S	S	.	.			trans	-93.8	13.6	-158.6	35.5	-37.3	0	0	0	117.1
17	L	45	Very low	52.6	Low	140 Å²	140	99.2 Å²	99.2	73%	0.733	54%	0.538	S	S	*	.	S	Bend	trans	-114.6	0.1	-160	-70.4	179.6	0	0	0	118.8	S15	S15-L17 PolarHBondContact O-N 3.14Å
18	H	51.7	Low	52	Low	143 Å²	143	99.7 Å²	99.7	66%	0.662	54%	0.536	S	S	*	.			trans	-122.5	138.4	177.1	-77	-92.2	0	0	0	113.6
19	L	52.2	Low	51.1	Low	54 Å²	54	103.4 Å²	103.4	28%	0.283	56%	0.56	S	S	.	*			trans	-87.8	155.2	162.7	-61	178.9	0	0	0	108.8	Q1 C3 C23	Q1-L19 WeakPolarHBondContact O-CD2 3.43Å; C3-L19 HydrophobicContact CB-CD2 3.86Å; L19-C23 HydrophobicContact CB-CB 4.4Å
20	C	59.5	Low	50.5	Low	38 Å²	38	108.7 Å²	108.7	26%	0.257	58%	0.584	S	S	.	*			trans	-92.9	160.2	168.1	63.8	0	0	0	0	111	S22 C23 D24	C20-S22 PolarHBondContact O-N 3Å; C20-C23 WeakPolarHBondContact O-CA 3.27Å; C20-C23 WeakPolarHBondContact O-CB 3.35Å; C20-C23 PolarHBondContact O-N 3.4Å; C20-D24 PolarHBondContact O-N 3.2Å
21	D	53.2	Low	49.5	Very low	141 Å²	141	107.3 Å²	107.3	75%	0.754	59%	0.585	S	S	*	*	H	α-helix	trans	-61	-31.3	-172.6	-52	-50.4	0	0	0	113.3	C23 D24 S25	D21-C23 VanDerWaalsContact C-N 3.26Å; D21-C23 PolarHBondContact O-N 3.47Å; D21-D24 PolarHBondContact O-N 3.01Å; D21-S25 WeakPolarHBondContact O-CB 3.44Å; D21-S25 PolarHBondContact O-N 3.19Å; D21-S25 PolarHBondContact O-OG 2.87Å
22	S	56.5	Low	48.9	Very low	68 Å²	68	104.6 Å²	104.6	48%	0.476	59%	0.585	S	S	.	*	H	α-helix	trans	-71.2	-16.6	174.6	-169.5	0	0	0	0	113.8	C20 R26	C20-S22 PolarHBondContact O-N 3Å; S22-R26 WeakPolarHBondContact O-CD 3.4Å; S22-R26 WeakPolarHBondContact O-CG 3.28Å
23	C	58	Low	48.1	Very low	17 Å²	17	108.2 Å²	108.2	12%	0.115	60%	0.604	C	S	.	*	H	α-helix	trans	-88.8	-45.8	166.8	-74.8	0	0	0	0	111.8	C3 H5 L19 C20 D21 S25 R26 C27	C3-C23 VanDerWaalsContact SG-SG 3.61Å; H5-C23 PolarHBondContact CE1-SG 3.26Å; H5-C23 PolarHBondContact ND1-SG 2.89Å; L19-C23 HydrophobicContact CB-CB 4.4Å; C20-C23 WeakPolarHBondContact O-CA 3.27Å; C20-C23 WeakPolarHBondContact O-CB 3.35Å; C20-C23 PolarHBondContact O-N 3.4Å; D21-C23 VanDerWaalsContact C-N 3.26Å; D21-C23 PolarHBondContact O-N 3.47Å; C23-S25 VanDerWaalsContact C-N 3.33Å; C23-S25 PolarHBondContact O-N 3.12Å; C23-R26 PolarHBondContact O-N 2.57Å; C23-C27 PolarHBondContact O-N 2.8Å
24	D	56.9	Low	47.2	Very low	74 Å²	74	109.9 Å²	109.9	40%	0.396	60%	0.604	S	S	.	*	H	α-helix	trans	-60.5	-44.6	-175.5	-149.1	54.9	0	0	0	110.9	C20 D21 R26 C27	C20-D24 PolarHBondContact O-N 3.2Å; D21-D24 PolarHBondContact O-N 3.01Å; D24-R26 VanDerWaalsContact C-N 3.26Å; D24-R26 PolarHBondContact O-N 3.2Å; D24-C27 PolarHBondContact O-N 3.23Å; D24-C27 VanDerWaalsContact O-N 3.16Å
25	S	54.6	Low	46.3	Very low	79 Å²	79	107.9 Å²	107.9	55%	0.552	60%	0.6	S	S	*	*	H	α-helix	trans	-61	-24.4	173.7	52.9	0	0	0	0	115	D21 C23	D21-S25 WeakPolarHBondContact O-CB 3.44Å; D21-S25 PolarHBondContact O-N 3.19Å; D21-S25 PolarHBondContact O-OG 2.87Å; C23-S25 VanDerWaalsContact C-N 3.33Å; C23-S25 PolarHBondContact O-N 3.12Å
26	R	51.9	Low	45.4	Very low	194 Å²	194	113.8 Å²	113.8	73%	0.732	62%	0.618	S	S	*	*	H	α-helix	trans	-86.7	-18.9	176.8	-69.9	-175.7	-175.2	-152	1	113.6	S22 C23 D24	S22-R26 WeakPolarHBondContact O-CD 3.4Å; S22-R26 WeakPolarHBondContact O-CG 3.28Å; C23-R26 PolarHBondContact O-N 2.57Å; D24-R26 VanDerWaalsContact C-N 3.26Å; D24-R26 PolarHBondContact O-N 3.2Å
27	C	48.6	Very low	44.6	Very low	68 Å²	68	118.8 Å²	118.8	46%	0.459	63%	0.632	S	S	.	*	H	α-helix	trans	-84.3	-13.9	176	-71.9	0	0	0	0	113.3	C23 D24 P29	C23-C27 PolarHBondContact O-N 2.8Å; D24-C27 PolarHBondContact O-N 3.23Å; D24-C27 VanDerWaalsContact O-N 3.16Å; C27-P29 WeakPolarHBondContact O-CD 3.49Å
28	H	41.9	Very low	43.9	Very low	141 Å²	141	120.2 Å²	120.2	65%	0.653	64%	0.64	S	S	*	*	S	Bend	trans	-123.6	75.7	177.3	-69.5	-61.5	0	0	0	111.4	E30	H28-E30 PolarHBondContact O-N 2.69Å
29	P	36.6	Very low	43	Very low	101 Å²	101	122.9 Å²	122.9	66%	0.656	64%	0.644	S	S	*	*			trans	-65.6	121.3	174.9	27.9	-34.2	0	0	0	110.8	C27 S31	C27-P29 WeakPolarHBondContact O-CD 3.49Å; P29-S31 PolarHBondContact O-N 2.62Å; P29-S31 VanDerWaalsContact O-N 3.12Å; P29-S31 PolarHBondContact O-OG 2.96Å
30	E	45.1	Very low	42	Very low	203 Å²	203	128.7 Å²	128.7	95%	0.949	67%	0.67	S	S	*	*			trans	-62.7	111.5	177.1	-61.9	-176.1	135.1	0	0	110.8	H28	H28-E30 PolarHBondContact O-N 2.69Å
31	S	32.6	Very low	40.5	Very low	111 Å²	111	132.4 Å²	132.4	78%	0.776	69%	0.694	S	S	*	*			trans	-150.1	153.4	172.7	50.8	0	0	0	0	109.7	P29	P29-S31 PolarHBondContact O-N 2.62Å; P29-S31 VanDerWaalsContact O-N 3.12Å; P29-S31 PolarHBondContact O-OG 2.96Å
32	A	40	Very low	39.3	Very low	92 Å²	92	133.1 Å²	133.1	76%	0.76	69%	0.686	S	S	*	*			trans	-83.5	168.6	-151.2	0	0	0	0	0	116.2
33	D	33.7	Very low	38	Very low	145 Å²	145	140.4 Å²	140.4	78%	0.775	71%	0.709	S	S	*	*			trans	71.8	104.8	164	-71.3	-33.2	0	0	0	120.4
34	N	34.5	Very low	36.7	Very low	146 Å²	146	145 Å²	145	78%	0.781	73%	0.732	S	S	*	*			trans	74.3	148.4	146.2	-70.8	-73.5	0	0	0	120
35	M	28.7	Very low	35.4	Very low	151 Å²	151	149 Å²	149	74%	0.744	75%	0.753	S	S	*	*			trans	67.5	90.6	177.3	-52.3	-94.9	72.3	0	0	115.1	F37	M35-F37 HydrophobicContact CB-CD2 4.41Å; M35-F37 HydrophobicContact CB-CE2 4.15Å; M35-F37 PolarHBondContact O-N 3.39Å; M35-F37 VanDerWaalsContact O-N 3.1Å
36	H	29.1	Very low	34	Very low	204 Å²	204	153.8 Å²	153.8	94%	0.944	77%	0.767	S	S	*	*			trans	-59.3	113	158.3	-74.3	-66.9	0	0	0	109.7
37	F	26.9	Very low	33.1	Very low	185 Å²	185	150.3 Å²	150.3	81%	0.811	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-85.5	138.5	163.7	-84.1	-92.8	0	0	0	109.9	M35	M35-F37 HydrophobicContact CB-CD2 4.41Å; M35-F37 HydrophobicContact CB-CE2 4.15Å; M35-F37 PolarHBondContact O-N 3.39Å; M35-F37 VanDerWaalsContact O-N 3.1Å
38	D	30.2	Very low	32.8	Very low	170 Å²	170	153.5 Å²	153.5	91%	0.909	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-61.8	147	177.1	-87.8	-54.9	0	0	0	112.4
39	R	33.2	Very low	32.8	Very low	198 Å²	198	149.2 Å²	149.2	75%	0.747	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-71.4	153.8	-169.6	-67.1	174.3	172.1	165	-2.8	112.4
40	H	30.1	Very low	33.2	Very low	176 Å²	176	146 Å²	146	82%	0.815	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-52.1	146.3	160.9	-104	-79.9	0	0	0	110.4	R42	H40-R42 PolarHBondContact O-N 2.86Å
41	P	27.3	Very low	33.9	Very low	117 Å²	117	136.7 Å²	136.7	76%	0.76	70%	0.703	S	S	*	*			trans	-66	103.3	-176.7	27.1	-35	0	0	0	110.9
42	R	29.4	Very low	34.9	Very low	156 Å²	156	131.5 Å²	131.5	59%	0.589	67%	0.666	S	S	*	*			trans	-68.9	147.5	157.9	-68.9	-179.2	173.5	-173	-5.3	108.3	H40 D44	H40-R42 PolarHBondContact O-N 2.86Å; R42-D44 HydrophobicContact CB-CB 4.36Å; R42-D44 VanDerWaalsContact CB-CG 3.48Å; R42-D44 WeakPolarHBondContact CB-OD1 3.46Å; R42-D44 WeakPolarHBondContact CB-OD2 3.46Å; R42-D44 PolarHBondContact O-N 3.47Å
43	F	29	Very low	35.2	Very low	220 Å²	220	129.9 Å²	129.9	97%	0.965	65%	0.653	S	S	*	*			trans	-76	56.9	158.9	-81.9	-89.7	0	0	0	109.5	L45	F43-L45 PolarHBondContact O-N 3.03Å
44	D	30.5	Very low	35.7	Very low	113 Å²	113	130.3 Å²	130.3	60%	0.604	64%	0.644	S	S	*	*			trans	-68.1	113.6	166.5	-68.1	-27.5	0	0	0	106.2	R42 Q46	R42-D44 HydrophobicContact CB-CB 4.36Å; R42-D44 VanDerWaalsContact CB-CG 3.48Å; R42-D44 WeakPolarHBondContact CB-OD1 3.46Å; R42-D44 WeakPolarHBondContact CB-OD2 3.46Å; R42-D44 PolarHBondContact O-N 3.47Å; D44-Q46 PolarHBondContact O-N 2.7Å; D44-Q46 VanDerWaalsContact O-N 3.16Å
45	L	29.8	Very low	36	Very low	158 Å²	158	127.5 Å²	127.5	83%	0.827	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-54.3	122.6	167.1	-73.1	167.7	0	0	0	107.1	F43 P47	F43-L45 PolarHBondContact O-N 3.03Å; L45-P47 WeakPolarHBondContact O-CD 3.45Å
46	Q	25.2	Very low	36.2	Very low	180 Å²	180	124.3 Å²	124.3	84%	0.841	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-52.9	128.6	175.5	-76.6	-170.1	-33.8	0	0	108.7	D44 Q48	D44-Q46 PolarHBondContact O-N 2.7Å; D44-Q46 VanDerWaalsContact O-N 3.16Å; Q46-Q48 PolarHBondContact O-N 2.85Å; Q46-Q48 VanDerWaalsContact O-N 3.13Å
47	P	33.4	Very low	36.3	Very low	121 Å²	121	117.8 Å²	117.8	79%	0.786	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-49.7	125.3	169	-26.3	34.7	0	0	0	108.2	L45 A49	L45-P47 WeakPolarHBondContact O-CD 3.45Å; P47-A49 PolarHBondContact O-N 3.35Å
48	Q	41.9	Very low	36.4	Very low	135 Å²	135	115.9 Å²	115.9	63%	0.631	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-54.3	118.5	-174	-71.9	-171.8	-3.3	0	0	108.9	Q46 S50	Q46-Q48 PolarHBondContact O-N 2.85Å; Q46-Q48 VanDerWaalsContact O-N 3.13Å; Q48-S50 PolarHBondContact O-N 3.16Å; Q48-S50 VanDerWaalsContact O-N 3.16Å
49	A	40.9	Very low	36.6	Very low	51 Å²	51	115.1 Å²	115.1	42%	0.421	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-54.3	125.5	-171.8	0	0	0	0	0	110.5	P47 I51 R54	P47-A49 PolarHBondContact O-N 3.35Å; A49-I51 PolarHBondContact O-N 3.37Å; A49-R54 VanDerWaalsContact O-CZ 3.26Å; A49-R54 PolarHBondContact O-NH1 3.04Å
50	S	46.4	Very low	36.4	Very low	34 Å²	34	109.6 Å²	109.6	24%	0.238	58%	0.575	C	S	.	*			trans	-38.4	132.4	176.8	153.7	0	0	0	0	111.2	Q48 L52 A53 R54 D551	Q48-S50 PolarHBondContact O-N 3.16Å; Q48-S50 VanDerWaalsContact O-N 3.16Å; S50-L52 PolarHBondContact O-N 3.33Å; S50-L52 WeakPolarHBondContact OG-CB 3.47Å; S50-L52 PolarHBondContact OG-N 2.93Å; S50-L52 VanDerWaalsContact OG-N 3.17Å; S50-A53 WeakPolarHBondContact O-CB 3.5Å; S50-A53 PolarHBondContact O-N 2.73Å; S50-A53 VanDerWaalsContact O-N 3.12Å; S50-A53 PolarHBondContact OG-N 3.47Å; S50-R54 WeakPolarHBondContact O-CG 3.42Å; S50-R54 PolarHBondContact O-N 2.89Å; S50-D551 WeakPolarHBondContact CA-OD1 3.42Å; S50-D551 WeakPolarHBondContact CB-OD2 3.43Å; S50-D551 PolarHBondContact OG-OD2 2.95Å
51	I	58.9	Low	36.2	Very low	8 Å²	8	107 Å²	107	4%	0.041	58%	0.575	C	S	.	*	H	α-helix	trans	-62.1	-38.7	174.5	-62.5	173.5	0	0	0	108.5	A49 A53 R54 N55 D551 M554 R555	A49-I51 PolarHBondContact O-N 3.37Å; I51-A53 VanDerWaalsContact C-N 3.26Å; I51-A53 PolarHBondContact O-N 2.97Å; I51-R54 PolarHBondContact O-N 2.88Å; I51-R54 VanDerWaalsContact O-N 3.08Å; I51-N55 PolarHBondContact O-N 2.95Å; I51-D551 PolarHBondContact N-OD1 3.26Å; I51-M554 HydrophobicContact CD1-CB 3.86Å; I51-M554 HydrophobicContact CG2-CE 3.78Å; I51-R555 HydrophobicContact CD1-CB 4.22Å; I51-R555 HydrophobicContact CD1-CG 3.51Å; I51-R555 HydrophobicContact CG1-CG 4.11Å
52	L	54.7	Low	36.2	Very low	1 Å²	1	106.9 Å²	106.9	1%	0.005	57%	0.574	C	S	.	*	H	α-helix	trans	-62.9	-33.2	176.1	-55.5	175.1	0	0	0	112.3	S50 H510 T514 I547 V550 D551 M554	S50-L52 PolarHBondContact O-N 3.33Å; S50-L52 WeakPolarHBondContact OG-CB 3.47Å; S50-L52 PolarHBondContact OG-N 2.93Å; S50-L52 VanDerWaalsContact OG-N 3.17Å; L52-H510 WeakPolarHBondContact CA-NE2 3.38Å; L52-H510 VanDerWaalsContact CD2-CE1 3.42Å; L52-H510 WeakPolarHBondContact CD2-CE1 3.43Å; L52-H510 PolarHBondContact O-NE2 2.87Å; L52-T514 HydrophobicContact CB-CG2 3.97Å; L52-I547 HydrophobicContact CD1-CG2 3.71Å; L52-V550 HydrophobicContact CD1-CG1 4.36Å; L52-V550 HydrophobicContact CD2-CG1 4.45Å; L52-D551 HydrophobicContact CD1-CB 4.32Å; L52-D551 WeakPolarHBondContact CG-OD2 3.44Å; L52-M554 HydrophobicContact CD2-CE 4.43Å; L52-M554 HydrophobicContact CD2-SD 3.66Å; L52-M554 HydrophobicContact CG-SD 4.44Å
53	A	45.3	Very low	36.1	Very low	58 Å²	58	105.1 Å²	105.1	48%	0.479	58%	0.583	S	S	.	*	H	α-helix	trans	-75.3	-29.4	173.2	0	0	0	0	0	113.4	S50 I51 V56	S50-A53 WeakPolarHBondContact O-CB 3.5Å; S50-A53 PolarHBondContact O-N 2.73Å; S50-A53 VanDerWaalsContact O-N 3.12Å; S50-A53 PolarHBondContact OG-N 3.47Å; I51-A53 VanDerWaalsContact C-N 3.26Å; I51-A53 PolarHBondContact O-N 2.97Å; A53-V56 PolarHBondContact O-N 3.03Å
54	R	44.6	Very low	36	Very low	155 Å²	155	105.3 Å²	105.3	59%	0.585	58%	0.577	S	S	*	*	H	α-helix	trans	-72	-31.4	179.3	-77	172.4	168.6	148.7	-5.3	113.2	A49 S50 I51 V56	A49-R54 VanDerWaalsContact O-CZ 3.26Å; A49-R54 PolarHBondContact O-NH1 3.04Å; S50-R54 WeakPolarHBondContact O-CG 3.42Å; S50-R54 PolarHBondContact O-N 2.89Å; I51-R54 PolarHBondContact O-N 2.88Å; I51-R54 VanDerWaalsContact O-N 3.08Å; R54-V56 PolarHBondContact O-N 3.19Å
55	N	39.7	Very low	35.8	Very low	86 Å²	86	106.3 Å²	106.3	46%	0.46	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.5	-0.8	177.8	-71	3.8	0	0	0	113.5	I51 S57	I51-N55 PolarHBondContact O-N 2.95Å; N55-S57 VanDerWaalsContact C-N 3.33Å; N55-S57 PolarHBondContact O-N 3.16Å
56	V	33.9	Very low	35.6	Very low	84 Å²	84	105.6 Å²	105.6	51%	0.509	59%	0.585	S	S	.	*	S	Bend	trans	-71.6	88.8	172	-174.6	0	0	0	0	109.8	A53 R54 T58	A53-V56 PolarHBondContact O-N 3.03Å; R54-V56 PolarHBondContact O-N 3.19Å; V56-T58 PolarHBondContact O-N 3.28Å
57	S	30.7	Very low	35.8	Very low	67 Å²	67	104.3 Å²	104.3	47%	0.469	58%	0.583	S	S	.	*			trans	-47.5	123.5	175.3	177.2	0	0	0	0	111.9	N55 R59	N55-S57 VanDerWaalsContact C-N 3.33Å; N55-S57 PolarHBondContact O-N 3.16Å; S57-R59 PolarHBondContact O-N 3.4Å; S57-R59 PolarHBondContact OG-N 2.87Å
58	T	29.2	Very low	35.5	Very low	145 Å²	145	107.9 Å²	107.9	89%	0.89	59%	0.589	S	S	*	*	S	Bend	trans	-71.4	10.4	172.2	50.1	0	0	0	0	113.3	V56	V56-T58 PolarHBondContact O-N 3.28Å
59	R	33.8	Very low	34.9	Very low	154 Å²	154	109.9 Å²	109.9	58%	0.581	60%	0.598	S	S	*	*	S	Bend	trans	-118.8	49.1	-178.5	-60	-169	-176.5	-144.7	-3.2	114.1	S57 D156	S57-R59 PolarHBondContact O-N 3.4Å; S57-R59 PolarHBondContact OG-N 2.87Å; R59-D156 IonicContact CZ-OD2 2.7Å; R59-D156 IonicContact NH1-OD2 3.59Å; R59-D156 IonicContact NH2-OD2 3.21Å; R59-D156 PolarHBondContact NH2-OD2 3.4Å
60	S	29.8	Very low	34.2	Very low	82 Å²	82	116.5 Å²	116.5	57%	0.573	62%	0.62	S	S	*	*			trans	-160.1	57.7	162.2	65	0	0	0	0	114.2
61	C	25.2	Very low	33.2	Very low	123 Å²	123	122.5 Å²	122.5	83%	0.831	65%	0.65	S	S	*	*			trans	-86.8	115.7	156.7	-71.7	0	0	0	0	108.4
62	P	28	Very low	31.8	Very low	113 Å²	113	131.2 Å²	131.2	73%	0.734	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-66.4	150.5	166.1	30.1	-33.6	0	0	0	109.4
63	P	27.9	Very low	30.4	Very low	119 Å²	119	134.3 Å²	134.3	77%	0.773	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-56.5	156.1	163.1	-19.9	32.6	0	0	0	110.4
64	R	26.3	Very low	29.5	Very low	225 Å²	225	137.3 Å²	137.3	85%	0.849	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-65.5	137.9	162.2	-74	179.2	172.6	161.7	-3.1	108.2	D66	R64-D66 VanDerWaalsContact C-N 3.31Å; R64-D66 PolarHBondContact O-N 3.12Å
65	T	27.2	Very low	28.6	Very low	133 Å²	133	137.1 Å²	137.1	82%	0.816	75%	0.751	S	S	*	*			trans	-73.8	89.1	165.1	48.3	0	0	0	0	108.1
66	D	25.3	Very low	28	Very low	143 Å²	143	139 Å²	139	77%	0.765	76%	0.76	S	S	*	*			trans	-69.6	144.5	154.2	-64.9	-38.8	0	0	0	107.5	R64	R64-D66 VanDerWaalsContact C-N 3.31Å; R64-D66 PolarHBondContact O-N 3.12Å
67	L	28.9	Very low	27.7	Very low	153 Å²	153	145.4 Å²	145.4	80%	0.801	78%	0.776	S	S	*	*			trans	-81.8	123.4	-175.6	-68.3	164.4	0	0	0	109.9	E69	L67-E69 PolarHBondContact O-N 2.85Å
68	E	26.6	Very low	27.5	Very low	197 Å²	197	146 Å²	146	92%	0.921	79%	0.792	S	S	*	*			trans	-84.9	96.3	163.5	-67.2	-177.8	147.5	0	0	107.6
69	E	28.8	Very low	27.3	Very low	176 Å²	176	144.2 Å²	144.2	82%	0.822	79%	0.786	S	S	*	*			trans	-82.8	133.7	166.9	-67.3	-176.5	152.6	0	0	109	L67	L67-E69 PolarHBondContact O-N 2.85Å
70	E	27.4	Very low	27	Very low	190 Å²	190	142.7 Å²	142.7	89%	0.888	79%	0.793	S	S	*	*			trans	-79.3	142.4	-176.6	-63.3	-175.9	131.3	0	0	112	E72	E70-E72 PolarHBondContact O-N 3.47Å
71	D	26.2	Very low	26.9	Very low	161 Å²	161	144.9 Å²	144.9	86%	0.861	80%	0.803	S	S	*	*			trans	-88.5	100.7	-176.2	-176.8	29.2	0	0	0	111.7
72	E	29	Very low	26.9	Very low	191 Å²	191	147.1 Å²	147.1	89%	0.893	80%	0.799	S	S	*	*			trans	-126.8	109.7	169.9	-93.5	-79.7	156.9	0	0	108.5	E70	E70-E72 PolarHBondContact O-N 3.47Å
73	G	25.4	Very low	26.9	Very low	66 Å²	66	150 Å²	150	68%	0.68	81%	0.808	S	S	*	*			trans	-108.1	158.2	-164.4	0	0	0	0	0	116.2
74	S	25.4	Very low	26.9	Very low	120 Å²	120	149.8 Å²	149.8	84%	0.839	80%	0.796	S	S	*	*			trans	-157.7	163.9	162.5	-163.4	0	0	0	0	113.2
75	N	26.7	Very low	27	Very low	152 Å²	152	148.3 Å²	148.3	81%	0.813	79%	0.791	S	S	*	*			trans	-67.5	170.2	173.8	-60.3	-56.8	0	0	0	111.1
76	D	26.8	Very low	27	Very low	124 Å²	124	151.1 Å²	151.1	66%	0.663	79%	0.791	S	S	*	*			cis	-164.8	172.5	32.4	-168.3	15.8	0	0	0	112.7
77	R	27.1	Very low	27	Very low	219 Å²	219	150.5 Å²	150.5	83%	0.826	79%	0.793	S	S	*	*			trans	63.1	105	151.8	-85.5	161.3	-164.6	-104.2	-7.5	123.1
78	G	26.3	Very low	26.9	Very low	79 Å²	79	150.4 Å²	150.4	81%	0.814	80%	0.799	S	S	*	*				79.3	168.4	124.7	0	0	0	0	0	118.9
79	S	25	Very low	26.9	Very low	108 Å²	108	144.6 Å²	144.6	76%	0.755	79%	0.791	S	S	*	*			cis	-162.7	137.7	-8.3	-170.3	0	0	0	0	111.5
80	V	27.1	Very low	26.9	Very low	123 Å²	123	144.6 Å²	144.6	75%	0.745	79%	0.793	S	S	*	*			trans	34.1	118.8	144.6	-179.4	0	0	0	0	118.1
81	T	28	Very low	26.8	Very low	127 Å²	127	145.4 Å²	145.4	78%	0.779	79%	0.794	S	S	*	*				-145	157.4	56.7	49.1	0	0	0	0	111.4
82	F	25.2	Very low	27.1	Very low	171 Å²	171	145.9 Å²	145.9	75%	0.75	80%	0.796	S	S	*	*			cis	72.8	100	31.9	-103.8	-73.7	0	0	0	118.2
83	L	27.9	Very low	27.1	Very low	173 Å²	173	140 Å²	140	91%	0.906	79%	0.786	S	S	*	*			trans	-151.9	133.5	133.9	-142.9	80.7	0	0	0	111.5
84	E	28.2	Very low	27.3	Very low	114 Å²	114	147 Å²	147	53%	0.533	80%	0.798	S	S	.	*			trans	-80.1	-178.6	161.8	-43.7	170.5	82.6	0	0	109.4
85	R	28.7	Very low	27.4	Very low	195 Å²	195	151.1 Å²	151.1	74%	0.736	80%	0.801	S	S	*	*			cis	-159.4	176.2	19.3	-127.6	154.5	-151.1	173.3	12.4	105.2
86	K	27.2	Very low	27.5	Very low	191 Å²	191	153.2 Å²	153.2	83%	0.83	80%	0.803	S	S	*	*			cis	-164.2	163.1	29.3	-149.9	168.3	-173.9	177.4	0	109.2
87	T	24.4	Very low	27.5	Very low	131 Å²	131	153.1 Å²	153.1	80%	0.804	81%	0.809	S	S	*	*			trans	-92.3	157.6	-179.5	41.6	0	0	0	0	114.4
88	V	27.3	Very low	27.5	Very low	151 Å²	151	154.4 Å²	154.4	92%	0.915	81%	0.814	S	S	*	*			trans	-178.7	147.3	139.1	139.4	0	0	0	0	111.4
89	G	26.7	Very low	27.6	Very low	74 Å²	74	162.5 Å²	162.5	76%	0.763	82%	0.819	S	S	*	*			trans	98.1	93.1	148.6	0	0	0	0	0	118.8
90	M	28	Very low	27.9	Very low	176 Å²	176	168.8 Å²	168.8	87%	0.867	83%	0.827	S	S	*	*			trans	-78.5	132.1	169.8	-67.2	159.3	57.4	0	0	112.8
91	K	27	Very low	28	Very low	207 Å²	207	170.3 Å²	170.3	90%	0.9	83%	0.825	S	S	*	*			trans	-142.9	131.4	150.2	-78.8	-168.2	176.4	176.1	0	110.4	G93	K91-G93 PolarHBondContact O-N 2.85Å
92	L	32.3	Very low	28.1	Very low	172 Å²	172	170.7 Å²	170.7	90%	0.901	83%	0.828	S	S	*	*			trans	-75.2	109.6	177.3	-83.4	78.9	0	0	0	110.9
93	G	28.4	Very low	28.5	Very low	67 Å²	67	168.2 Å²	168.2	69%	0.691	82%	0.822	S	S	*	*			trans	-99.5	122.8	167.3	0	0	0	0	0	111.5	K91 K95	K91-G93 PolarHBondContact O-N 2.85Å; G93-K95 PolarHBondContact O-N 2.89Å
94	K	29.2	Very low	29	Very low	213 Å²	213	163.5 Å²	163.5	93%	0.926	80%	0.798	S	S	*	*			trans	-65.6	99.1	179.1	-66.5	178.1	-179.7	176.8	0	111.1	K96	K94-K96 PolarHBondContact O-N 2.87Å
95	K	27.8	Very low	30	Very low	206 Å²	206	162.7 Å²	162.7	90%	0.896	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-67.4	116.9	169.3	-78.5	-174.6	175.3	178.1	0	109.9	G93	G93-K95 PolarHBondContact O-N 2.89Å
96	K	28.4	Very low	31.1	Very low	197 Å²	197	155.8 Å²	155.8	86%	0.857	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-62.5	139.9	168.6	-67.3	178.7	178.4	177.7	0	109.2	K94	K94-K96 PolarHBondContact O-N 2.87Å
97	P	28.2	Very low	32.7	Very low	122 Å²	122	151.8 Å²	151.8	79%	0.792	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-67.9	145.2	178.5	28.2	-34.3	0	0	0	111.4
98	R	26.7	Very low	35.1	Very low	245 Å²	245	152.3 Å²	152.3	93%	0.925	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-59.9	141.7	165.8	-82.8	177.2	162.5	163.5	-7.6	109.2
99	R	27.6	Very low	37.7	Very low	249 Å²	249	147.2 Å²	147.2	94%	0.94	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-61.1	142.1	174.4	-72.9	-177.1	172.3	-175.2	-3.1	110.1
100	R	31.6	Very low	40.5	Very low	240 Å²	240	143.8 Å²	143.8	91%	0.906	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-89	141.5	162.3	-60.7	174.9	178.5	168.2	-2.1	108.2
101	H	28.8	Very low	43.3	Very low	155 Å²	155	136.4 Å²	136.4	72%	0.718	66%	0.66	S	S	*	*			trans	-163.1	115.7	141.1	-156.2	-84.1	0	0	0	110.7
102	T	30.1	Very low	46.1	Very low	136 Å²	136	126.5 Å²	126.5	83%	0.834	62%	0.618	S	S	*	*			trans	-171.5	64.3	158	32.3	0	0	0	0	104.5	D104	T102-D104 PolarHBondContact O-N 3.14Å
103	D	34.2	Very low	48.5	Very low	118 Å²	118	121.1 Å²	121.1	63%	0.631	59%	0.587	S	S	*	*			trans	-76.1	114.6	173.3	-71.4	-64.9	0	0	0	107.9
104	D	39.3	Very low	50.9	Low	75 Å²	75	118.3 Å²	118.3	40%	0.401	56%	0.556	S	S	.	*			trans	-88.7	110.4	-179.9	165.8	5.4	0	0	0	107.8	T102 S106 K107	T102-D104 PolarHBondContact O-N 3.14Å; D104-S106 PolarHBondContact O-N 2.73Å; D104-S106 VanDerWaalsContact O-N 3.08Å; D104-S106 VanDerWaalsContact OD1-CB 3.3Å; D104-S106 WeakPolarHBondContact OD1-CB 3.12Å; D104-S106 PolarHBondContact OD1-N 2.85Å; D104-S106 VanDerWaalsContact OD1-N 3.11Å; D104-S106 PolarHBondContact OD1-OG 2.91Å; D104-S106 PolarHBondContact OD2-OG 2.69Å; D104-S106 VanDerWaalsContact OD2-OG 3.13Å; D104-K107 PolarHBondContact O-N 3.26Å; D104-K107 VanDerWaalsContact OD2-CE 3.27Å; D104-K107 WeakPolarHBondContact OD2-CE 3.07Å; D104-K107 IonicContact OD2-NZ 3.49Å
105	P	47.4	Very low	52.5	Low	97 Å²	97	111.6 Å²	111.6	63%	0.63	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-65.6	-15.4	-171.1	26.8	-35	0	0	0	113	K107 E108	P105-K107 PolarHBondContact O-N 2.85Å; P105-E108 PolarHBondContact O-N 3.46Å
106	S	53.5	Low	53.8	Low	49 Å²	49	104.4 Å²	104.4	34%	0.343	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-59.4	-28.6	172.4	71.2	0	0	0	0	112	D104 E108 C109 G172 G173	D104-S106 PolarHBondContact O-N 2.73Å; D104-S106 VanDerWaalsContact O-N 3.08Å; D104-S106 VanDerWaalsContact OD1-CB 3.3Å; D104-S106 WeakPolarHBondContact OD1-CB 3.12Å; D104-S106 PolarHBondContact OD1-N 2.85Å; D104-S106 VanDerWaalsContact OD1-N 3.11Å; D104-S106 PolarHBondContact OD1-OG 2.91Å; D104-S106 PolarHBondContact OD2-OG 2.69Å; D104-S106 VanDerWaalsContact OD2-OG 3.13Å; S106-E108 VanDerWaalsContact C-N 3.33Å; S106-E108 PolarHBondContact O-N 2.87Å; S106-C109 VanDerWaalsContact O-O 3.07Å; S106-G172 CarbonylContact O-C 3.51Å; S106-G173 WeakPolarHBondContact O-CA 3.47Å; S106-G173 PolarHBondContact O-N 3.16Å
107	K	59.8	Low	54.8	Low	107 Å²	107	102.8 Å²	102.8	47%	0.465	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-86.2	0.7	-172.6	-57.7	-168.1	179.1	178.2	0	114.8	D104 P105 A127	D104-K107 PolarHBondContact O-N 3.26Å; D104-K107 VanDerWaalsContact OD2-CE 3.27Å; D104-K107 WeakPolarHBondContact OD2-CE 3.07Å; D104-K107 IonicContact OD2-NZ 3.49Å; P105-K107 PolarHBondContact O-N 2.85Å; K107-A127 WeakPolarHBondContact O-CB 3.41Å
108	E	74.1	Confident	55.6	Low	142 Å²	142	102.7 Å²	102.7	66%	0.664	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-83.8	-21.1	177.2	-57.4	-160.5	140.8	0	0	112.9	P105 S106 A127	P105-E108 PolarHBondContact O-N 3.46Å; S106-E108 VanDerWaalsContact C-N 3.33Å; S106-E108 PolarHBondContact O-N 2.87Å; E108-A127 PolarHBondContact O-N 3.46Å
109	C	81.8	Confident	56.2	Low	44 Å²	44	96.2 Å²	96.2	30%	0.297	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	163.8	-179.1	66.4	0	0	0	0	113.1	S106 I124 V125 G172 G173	S106-C109 VanDerWaalsContact O-O 3.07Å; C109-I124 HydrophobicContact CB-CG2 3.63Å; C109-V125 CarbonylContact C-O 3.56Å; C109-V125 WeakPolarHBondContact CA-O 3.48Å; C109-V125 WeakPolarHBondContact CB-O 3.49Å; C109-G172 CarbonylContact O-C 3.55Å; C109-G172 WeakPolarHBondContact O-CA 3.12Å; C109-G173 PolarHBondContact O-N 2.76Å
110	F	86.6	Confident	57.3	Low	2 Å²	2	90.9 Å²	90.9	1%	0.009	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.8	171.4	65.8	-89.7	0	0	0	109.6	L112 V125 A127 L133 V136 L137 A168 L171 H174 L176	F110-L112 HydrophobicContact CD2-CD2 4.48Å; F110-L112 HydrophobicContact CE2-CD2 4.07Å; F110-V125 HydrophobicContact CD1-CB 4.38Å; F110-V125 HydrophobicContact CD1-CG1 4.49Å; F110-V125 WeakPolarHBondContact CD1-O 3.38Å; F110-V125 HydrophobicContact CD2-CB 4.24Å; F110-V125 HydrophobicContact CE1-CB 4.02Å; F110-V125 HydrophobicContact CE1-CG1 3.69Å; F110-V125 HydrophobicContact CE2-CB 3.88Å; F110-V125 HydrophobicContact CE2-CG1 3.97Å; F110-V125 HydrophobicContact CE2-CG2 4.42Å; F110-V125 HydrophobicContact CG-CB 4.48Å; F110-V125 HydrophobicContact CZ-CB 3.77Å; F110-V125 HydrophobicContact CZ-CG1 3.39Å; F110-V125 PolarHBondContact N-O 2.86Å; F110-V125 PolarHBondContact O-N 3.3Å; F110-A127 HydrophobicContact CD1-CB 4.13Å; F110-L133 HydrophobicContact CE2-CD2 4.13Å; F110-L133 HydrophobicContact CZ-CD2 3.82Å; F110-V136 HydrophobicContact CE1-CG1 4.33Å; F110-V136 HydrophobicContact CZ-CG1 4.34Å; F110-L137 HydrophobicContact CE2-CD2 4Å; F110-L137 HydrophobicContact CZ-CD2 4.01Å; F110-L137 HydrophobicContact CZ-CG 4.37Å; F110-A168 HydrophobicContact CE1-CB 4.16Å; F110-L171 WeakPolarHBondContact CB-O 3.04Å; F110-H174 WeakPolarHBondContact CB-O 3.23Å; F110-L176 HydrophobicContact CD2-CD1 3.66Å; F110-L176 HydrophobicContact CD2-CG 4.09Å; F110-L176 HydrophobicContact CE2-CD1 3.6Å; F110-L176 HydrophobicContact CE2-CG 4.49Å
111	S	87.4	Confident	58.5	Low	21 Å²	21	83.1 Å²	83.1	15%	0.147	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.5	-172.1	-67.4	0	0	0	0	111.9	H174 Y175 L176	S111-H174 PolarHBondContact N-O 3.17Å; S111-Y175 WeakPolarHBondContact O-CA 3.29Å; S111-L176 PolarHBondContact O-N 2.73Å
112	L	85.6	Confident	60.6	Low	0 Å²	0	79.9 Å²	79.9	0%	0	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	137.8	167.1	-58	-177.5	0	0	0	110.2	F110 F114 T122 E123 V125 L137 V140 F141 L176 V178	F110-L112 HydrophobicContact CD2-CD2 4.48Å; F110-L112 HydrophobicContact CE2-CD2 4.07Å; L112-F114 HydrophobicContact CB-CE2 4.12Å; L112-F114 HydrophobicContact CD1-CE2 4.22Å; L112-F114 HydrophobicContact CD1-CZ 4.05Å; L112-T122 VanDerWaalsContact O-CA 3.24Å; L112-T122 WeakPolarHBondContact O-CA 3.04Å; L112-E123 PolarHBondContact N-O 2.72Å; L112-E123 PolarHBondContact O-N 2.8Å; L112-E123 VanDerWaalsContact O-N 3.14Å; L112-V125 HydrophobicContact CD1-CG2 3.99Å; L112-V125 HydrophobicContact CG-CG2 3.86Å; L112-L137 HydrophobicContact CD1-CD2 3.8Å; L112-L137 HydrophobicContact CD2-CD1 4.44Å; L112-L137 HydrophobicContact CD2-CD2 3.89Å; L112-L137 HydrophobicContact CG-CD2 4.21Å; L112-V140 HydrophobicContact CD1-CG1 3.7Å; L112-F141 HydrophobicContact CD1-CZ 4.41Å; L112-L176 CarbonylContact C-O 3.49Å; L112-L176 WeakPolarHBondContact CA-O 3.38Å; L112-L176 HydrophobicContact CD2-CB 4.08Å; L112-L176 HydrophobicContact CD2-CD1 4.33Å; L112-V178 HydrophobicContact CB-CG2 4.1Å; L112-V178 HydrophobicContact CD1-CG2 4.48Å; L112-V178 HydrophobicContact CD2-CG2 4.09Å; L112-V178 HydrophobicContact CG-CG2 4.46Å
113	K	82.1	Confident	62.9	Low	58 Å²	58	75.3 Å²	75.3	25%	0.252	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.8	164.1	-64.9	177.3	-179.7	174.6	0	108.6	T122 D156 L176 V178	K113-T122 HydrophobicContact CG-CG2 4.28Å; K113-D156 IonicContact NZ-OD1 2.68Å; K113-D156 PolarHBondContact NZ-OD1 3.46Å; K113-L176 PolarHBondContact N-O 2.87Å; K113-V178 WeakPolarHBondContact O-CB 3.48Å; K113-V178 PolarHBondContact O-N 2.84Å
114	F	78.4	Confident	65.3	Low	9 Å²	9	75.3 Å²	75.3	4%	0.039	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.4	176.6	-67.9	-96.1	0	0	0	110.8	L112 L116 N121 E123 F141 I146 V178	L112-F114 HydrophobicContact CB-CE2 4.12Å; L112-F114 HydrophobicContact CD1-CE2 4.22Å; L112-F114 HydrophobicContact CD1-CZ 4.05Å; F114-L116 HydrophobicContact CB-CD1 4.48Å; F114-L116 HydrophobicContact CB-CG 4.49Å; F114-L116 PolarHBondContact O-N 3.29Å; F114-N121 PolarHBondContact N-O 3.44Å; F114-E123 HydrophobicContact CE2-CB 4.17Å; F114-F141 HydrophobicContact CE1-CD1 4.05Å; F114-F141 AromaticContact CE1-CE1 3.61Å; F114-F141 HydrophobicContact CE1-CE1 3.61Å; F114-F141 HydrophobicContact CZ-CE1 4.15Å; F114-I146 HydrophobicContact CD1-CD1 4.02Å; F114-I146 HydrophobicContact CE1-CD1 3.73Å; F114-V178 HydrophobicContact CD1-CB 4.24Å; F114-V178 HydrophobicContact CD1-CG1 3.94Å; F114-V178 HydrophobicContact CD1-CG2 4.48Å; F114-V178 HydrophobicContact CE1-CG1 4.18Å
115	D	62.3	Low	67.5	Low	71 Å²	71	71.8 Å²	71.8	38%	0.38	39%	0.388	S	S	.	.			trans	-83.5	62	179.2	-154.1	50.7	0	0	0	111.2	K177 V178	D115-K177 VanDerWaalsContact CB-CE 3.46Å; D115-K177 HydrophobicContact CB-CG 4.45Å; D115-K177 WeakPolarHBondContact OD1-CE 3.4Å; D115-K177 IonicContact OD1-NZ 2.67Å; D115-K177 PolarHBondContact OD1-NZ 3.2Å; D115-K177 WeakPolarHBondContact OD2-CE 3.3Å; D115-K177 IonicContact OD2-NZ 2.67Å; D115-K177 PolarHBondContact OD2-NZ 2.93Å; D115-V178 VanDerWaalsContact CB-O 3.32Å; D115-V178 WeakPolarHBondContact CB-O 3.21Å; D115-V178 PolarHBondContact N-O 2.88Å; D115-V178 VanDerWaalsContact N-O 3.08Å
116	L	56.7	Low	69.2	Low	56 Å²	56	70.7 Å²	70.7	29%	0.293	38%	0.381	S	S	.	.			trans	-112.8	117.2	178.4	-62.9	176.1	0	0	0	108.4	F114 V118 D119 V180	F114-L116 HydrophobicContact CB-CD1 4.48Å; F114-L116 HydrophobicContact CB-CG 4.49Å; F114-L116 PolarHBondContact O-N 3.29Å; L116-V118 PolarHBondContact O-N 2.97Å; L116-D119 PolarHBondContact O-N 2.91Å; L116-V180 HydrophobicContact CD2-CG2 4.31Å
117	N	49.5	Very low	70.8	Confident	163 Å²	163	68.8 Å²	68.8	87%	0.872	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	20	-156.2	-85.1	-1.9	0	0	0	120.1
118	V	44	Very low	71.8	Confident	120 Å²	120	67.6 Å²	67.6	73%	0.727	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.6	-35.5	174.6	-169	0	0	0	0	113.4	L116	L116-V118 PolarHBondContact O-N 2.97Å
119	D	39.7	Very low	72.2	Confident	109 Å²	109	67.1 Å²	67.1	58%	0.583	36%	0.361	S	S	*	.			trans	-133.7	117.2	-173.5	-69.5	-68	0	0	0	112.1	L116 N121	L116-D119 PolarHBondContact O-N 2.91Å; D119-N121 VanDerWaalsContact C-N 3.28Å; D119-N121 PolarHBondContact O-N 2.74Å
120	I	50.1	Low	72.3	Confident	137 Å²	137	74.2 Å²	74.2	70%	0.703	39%	0.387	S	S	*	.			trans	-82.2	73.6	175.7	-48.9	179.1	0	0	0	109.9	T122	I120-T122 HydrophobicContact CG2-CG2 4.46Å; I120-T122 PolarHBondContact O-N 2.78Å
121	N	57.7	Low	72.2	Confident	77 Å²	77	78 Å²	78	41%	0.412	40%	0.403	S	S	.	.			trans	-66.1	126.9	168.5	-80.1	19.9	0	0	0	109.9	F114 D119	F114-N121 PolarHBondContact N-O 3.44Å; D119-N121 VanDerWaalsContact C-N 3.28Å; D119-N121 PolarHBondContact O-N 2.74Å
122	T	72.2	Confident	72.3	Confident	87 Å²	87	78.8 Å²	78.8	53%	0.534	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.2	172.1	57.6	0	0	0	0	110.9	L112 K113 I120	L112-T122 VanDerWaalsContact O-CA 3.24Å; L112-T122 WeakPolarHBondContact O-CA 3.04Å; K113-T122 HydrophobicContact CG-CG2 4.28Å; I120-T122 HydrophobicContact CG2-CG2 4.46Å; I120-T122 PolarHBondContact O-N 2.78Å
123	E	79.5	Confident	72.4	Confident	39 Å²	39	78.8 Å²	78.8	18%	0.182	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.8	178.1	-165.5	161.1	-179.4	0	0	110.2	L112 F114 V140 R143 N144	L112-E123 PolarHBondContact N-O 2.72Å; L112-E123 PolarHBondContact O-N 2.8Å; L112-E123 VanDerWaalsContact O-N 3.14Å; F114-E123 HydrophobicContact CE2-CB 4.17Å; E123-V140 HydrophobicContact CG-CG1 4.25Å; E123-R143 IonicContact OE1-CZ 2.64Å; E123-R143 IonicContact OE1-NH1 3.62Å; E123-R143 PolarHBondContact OE1-NH1 3.24Å; E123-N144 PolarHBondContact OE2-ND2 3.33Å
124	I	83.6	Confident	72.5	Confident	119 Å²	119	81.1 Å²	81.1	61%	0.61	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.8	-177.5	-59.4	176	0	0	0	109.1	C109	C109-I124 HydrophobicContact CB-CG2 3.63Å
125	V	85.4	Confident	72.8	Confident	1 Å²	1	84.7 Å²	84.7	1%	0.006	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.3	-170.3	-177.1	0	0	0	0	110.5	C109 F110 L112 A127 V136 L137 V140	C109-V125 CarbonylContact C-O 3.56Å; C109-V125 WeakPolarHBondContact CA-O 3.48Å; C109-V125 WeakPolarHBondContact CB-O 3.49Å; F110-V125 HydrophobicContact CD1-CB 4.38Å; F110-V125 HydrophobicContact CD1-CG1 4.49Å; F110-V125 WeakPolarHBondContact CD1-O 3.38Å; F110-V125 HydrophobicContact CD2-CB 4.24Å; F110-V125 HydrophobicContact CE1-CB 4.02Å; F110-V125 HydrophobicContact CE1-CG1 3.69Å; F110-V125 HydrophobicContact CE2-CB 3.88Å; F110-V125 HydrophobicContact CE2-CG1 3.97Å; F110-V125 HydrophobicContact CE2-CG2 4.42Å; F110-V125 HydrophobicContact CG-CB 4.48Å; F110-V125 HydrophobicContact CZ-CB 3.77Å; F110-V125 HydrophobicContact CZ-CG1 3.39Å; F110-V125 PolarHBondContact N-O 2.86Å; F110-V125 PolarHBondContact O-N 3.3Å; L112-V125 HydrophobicContact CD1-CG2 3.99Å; L112-V125 HydrophobicContact CG-CG2 3.86Å; V125-A127 PolarHBondContact O-N 3.5Å; V125-V136 HydrophobicContact CG1-CG1 3.35Å; V125-L137 HydrophobicContact CB-CD2 4.45Å; V125-L137 HydrophobicContact CG1-CD2 3.86Å; V125-L137 HydrophobicContact CG2-CD2 4.01Å; V125-V140 HydrophobicContact CG2-CG2 4.26Å
126	P	84	Confident	74	Confident	73 Å²	73	81.8 Å²	81.8	47%	0.474	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	131.5	-177.9	27.5	-34.9	0	0	0	112.5	M128 V136	P126-M128 VanDerWaalsContact C-N 3.31Å; P126-M128 HydrophobicContact CB-CG 4.28Å; P126-M128 HydrophobicContact CG-CG 4.43Å; P126-M128 PolarHBondContact O-N 3.23Å; P126-V136 WeakPolarHBondContact O-CG1 3.49Å
127	A	87.2	Confident	75.5	Confident	10 Å²	10	79.1 Å²	79.1	8%	0.083	40%	0.402	C	S	.	.			trans	-80	72.3	-177.1	0	0	0	0	0	111	K107 E108 F110 V125 Y169	K107-A127 WeakPolarHBondContact O-CB 3.41Å; E108-A127 PolarHBondContact O-N 3.46Å; F110-A127 HydrophobicContact CD1-CB 4.13Å; V125-A127 PolarHBondContact O-N 3.5Å; A127-Y169 HydrophobicContact CB-CD2 4.5Å; A127-Y169 WeakPolarHBondContact O-CA 3.4Å; A127-Y169 WeakPolarHBondContact O-CD2 3.35Å
128	M	80.4	Confident	77.1	Confident	81 Å²	81	71.9 Å²	71.9	40%	0.399	37%	0.366	S	S	.	.			trans	-73.1	130.6	-170.5	-66.8	-159.2	-74	0	0	114.2	P126 K131 V136 Y169	P126-M128 VanDerWaalsContact C-N 3.31Å; P126-M128 HydrophobicContact CB-CG 4.28Å; P126-M128 HydrophobicContact CG-CG 4.43Å; P126-M128 PolarHBondContact O-N 3.23Å; M128-K131 HydrophobicContact CB-CB 3.84Å; M128-K131 HydrophobicContact CB-CG 3.99Å; M128-K131 HydrophobicContact CE-CG 4.3Å; M128-V136 HydrophobicContact CB-CG2 4.16Å; M128-V136 HydrophobicContact CE-CB 4.48Å; M128-V136 HydrophobicContact CE-CG1 4.31Å; M128-V136 HydrophobicContact CE-CG2 3.85Å; M128-Y169 PolarHBondContact O-N 3.02Å
129	K	81.4	Confident	78.9	Confident	133 Å²	133	69.9 Å²	69.9	58%	0.578	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	139.5	176	-73.3	164.8	-179	154.4	0	110.8	K131 Y169	K129-K131 PolarHBondContact O-N 2.93Å; K129-K131 VanDerWaalsContact O-N 3.16Å; K129-Y169 HydrophobicContact CD-CD1 4.46Å; K129-Y169 HydrophobicContact CD-CD2 4.34Å; K129-Y169 HydrophobicContact CD-CE1 4.47Å; K129-Y169 HydrophobicContact CD-CE2 4.35Å; K129-Y169 HydrophobicContact CD-CG 4.38Å; K129-Y169 VanDerWaalsContact CE-CE1 3.49Å; K129-Y169 WeakPolarHBondContact CE-OH 3.45Å; K129-Y169 HydrophobicContact CG-CD1 3.72Å; K129-Y169 HydrophobicContact CG-CD2 3.72Å; K129-Y169 HydrophobicContact CG-CE1 4.21Å; K129-Y169 HydrophobicContact CG-CE2 4.21Å; K129-Y169 HydrophobicContact CG-CG 3.44Å; K129-Y169 VanDerWaalsContact CG-CG 3.44Å
130	K	83.5	Confident	80.9	Confident	192 Å²	192	65.4 Å²	65.4	84%	0.835	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	21.1	-176.9	-51.7	-177.6	178.2	-176.8	0	115.1	E167	K130-E167 PolarHBondContact N-OE1 3.18Å
131	K	86.1	Confident	82.4	Confident	83 Å²	83	58.9 Å²	58.9	36%	0.361	30%	0.298	S	S	.	.			trans	-115.5	138.6	172.4	-76.9	-62.7	-162.6	-176.8	0	110	M128 K129 E135 V136 E167 A168	M128-K131 HydrophobicContact CB-CB 3.84Å; M128-K131 HydrophobicContact CB-CG 3.99Å; M128-K131 HydrophobicContact CE-CG 4.3Å; K129-K131 PolarHBondContact O-N 2.93Å; K129-K131 VanDerWaalsContact O-N 3.16Å; K131-E135 HydrophobicContact CD-CB 4.09Å; K131-E135 HydrophobicContact CD-CG 4.44Å; K131-E135 WeakPolarHBondContact CD-OE1 3.4Å; K131-E135 WeakPolarHBondContact CE-OE1 3.49Å; K131-E135 IonicContact NZ-OE1 3.55Å; K131-E135 PolarHBondContact NZ-OE1 3.38Å; K131-V136 HydrophobicContact CB-CG2 3.75Å; K131-E167 WeakPolarHBondContact O-CA 3.5Å; K131-A168 PolarHBondContact O-N 2.78Å
132	T	89.4	Confident	83.4	Confident	37 Å²	37	62.3 Å²	62.3	23%	0.227	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-78.3	153.3	175.7	59.8	0	0	0	0	110.9	R134 E135 V136 F166	T132-R134 PolarHBondContact O-N 2.84Å; T132-E135 WeakPolarHBondContact CB-OE2 3.18Å; T132-E135 PolarHBondContact N-OE2 2.9Å; T132-E135 PolarHBondContact O-N 2.87Å; T132-E135 WeakPolarHBondContact OG1-CG 3.37Å; T132-E135 PolarHBondContact OG1-N 2.97Å; T132-E135 PolarHBondContact OG1-OE2 2.66Å; T132-V136 WeakPolarHBondContact O-CG2 3.49Å; T132-V136 PolarHBondContact O-N 3.13Å; T132-V136 VanDerWaalsContact O-N 3.16Å; T132-F166 CarbonylContact C-O 3.27Å; T132-F166 WeakPolarHBondContact CA-O 3.12Å
133	L	86.3	Confident	83.4	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-49.1	-41.2	171.6	-82.5	176.9	0	0	0	112	F110 E135 V136 L137 L153 L162 L164 F166 A168 L171 L176	F110-L133 HydrophobicContact CE2-CD2 4.13Å; F110-L133 HydrophobicContact CZ-CD2 3.82Å; L133-E135 PolarHBondContact O-N 2.84Å; L133-V136 PolarHBondContact O-N 2.87Å; L133-L137 HydrophobicContact CB-CD1 4.27Å; L133-L137 HydrophobicContact CD2-CD1 3.83Å; L133-L137 HydrophobicContact CD2-CG 4.47Å; L133-L137 WeakPolarHBondContact O-CB 3.45Å; L133-L137 VanDerWaalsContact O-CG 3.29Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 3.38Å; L133-L153 HydrophobicContact CD1-CD1 4.16Å; L133-L162 HydrophobicContact CD1-CB 4.37Å; L133-L162 HydrophobicContact CD1-CD1 4.25Å; L133-L164 PolarHBondContact N-O 2.74Å; L133-F166 HydrophobicContact CD1-CB 4.21Å; L133-F166 PolarHBondContact N-O 2.87Å; L133-A168 HydrophobicContact CD2-CB 4.46Å; L133-L171 HydrophobicContact CD1-CD1 3.69Å; L133-L171 HydrophobicContact CD2-CD1 3.7Å; L133-L171 HydrophobicContact CG-CD1 3.9Å; L133-L176 HydrophobicContact CD2-CD1 4.11Å
134	R	85.8	Confident	83	Confident	107 Å²	107	65.8 Å²	65.8	40%	0.404	32%	0.315	S	S	.	.	H	α-helix	trans	-52.3	-49.1	174.8	179.1	174.2	-65.9	-79.1	-1.5	113.1	T132 G138 L148 L164	T132-R134 PolarHBondContact O-N 2.84Å; R134-G138 PolarHBondContact O-N 2.92Å; R134-G138 VanDerWaalsContact O-N 3.07Å; R134-L148 HydrophobicContact CB-CD2 4.31Å; R134-L148 HydrophobicContact CG-CD2 3.79Å; R134-L164 HydrophobicContact CB-CB 4.26Å; R134-L164 WeakPolarHBondContact CB-O 3.4Å; R134-L164 PolarHBondContact N-O 2.64Å
135	E	84.3	Confident	82.3	Confident	84 Å²	84	62 Å²	62	39%	0.393	31%	0.305	S	S	.	.	H	α-helix	trans	-72.6	-33.4	-177.2	-67.4	165.5	95.6	0	0	113.1	K131 T132 L133	K131-E135 HydrophobicContact CD-CB 4.09Å; K131-E135 HydrophobicContact CD-CG 4.44Å; K131-E135 WeakPolarHBondContact CD-OE1 3.4Å; K131-E135 WeakPolarHBondContact CE-OE1 3.49Å; K131-E135 IonicContact NZ-OE1 3.55Å; K131-E135 PolarHBondContact NZ-OE1 3.38Å; T132-E135 WeakPolarHBondContact CB-OE2 3.18Å; T132-E135 PolarHBondContact N-OE2 2.9Å; T132-E135 PolarHBondContact O-N 2.87Å; T132-E135 WeakPolarHBondContact OG1-CG 3.37Å; T132-E135 PolarHBondContact OG1-N 2.97Å; T132-E135 PolarHBondContact OG1-OE2 2.66Å; L133-E135 PolarHBondContact O-N 2.84Å
136	V	87.7	Confident	81.9	Confident	10 Å²	10	62.7 Å²	62.7	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-78.2	-35.6	179.8	-174.2	0	0	0	0	111.2	F110 V125 P126 M128 K131 T132 L133 A168	F110-V136 HydrophobicContact CE1-CG1 4.33Å; F110-V136 HydrophobicContact CZ-CG1 4.34Å; V125-V136 HydrophobicContact CG1-CG1 3.35Å; P126-V136 WeakPolarHBondContact O-CG1 3.49Å; M128-V136 HydrophobicContact CB-CG2 4.16Å; M128-V136 HydrophobicContact CE-CB 4.48Å; M128-V136 HydrophobicContact CE-CG1 4.31Å; M128-V136 HydrophobicContact CE-CG2 3.85Å; K131-V136 HydrophobicContact CB-CG2 3.75Å; T132-V136 WeakPolarHBondContact O-CG2 3.49Å; T132-V136 PolarHBondContact O-N 3.13Å; T132-V136 VanDerWaalsContact O-N 3.16Å; L133-V136 PolarHBondContact O-N 2.87Å; V136-A168 HydrophobicContact CB-CB 4.28Å; V136-A168 HydrophobicContact CG2-CB 3.58Å
137	L	87.3	Confident	81.5	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-94	-18.5	-172.8	-64.4	176.3	0	0	0	114.9	F110 L112 V125 L133 V140 F141 L148 L153	F110-L137 HydrophobicContact CE2-CD2 4Å; F110-L137 HydrophobicContact CZ-CD2 4.01Å; F110-L137 HydrophobicContact CZ-CG 4.37Å; L112-L137 HydrophobicContact CD1-CD2 3.8Å; L112-L137 HydrophobicContact CD2-CD1 4.44Å; L112-L137 HydrophobicContact CD2-CD2 3.89Å; L112-L137 HydrophobicContact CG-CD2 4.21Å; V125-L137 HydrophobicContact CB-CD2 4.45Å; V125-L137 HydrophobicContact CG1-CD2 3.86Å; V125-L137 HydrophobicContact CG2-CD2 4.01Å; L133-L137 HydrophobicContact CB-CD1 4.27Å; L133-L137 HydrophobicContact CD2-CD1 3.83Å; L133-L137 HydrophobicContact CD2-CG 4.47Å; L133-L137 WeakPolarHBondContact O-CB 3.45Å; L133-L137 VanDerWaalsContact O-CG 3.29Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 3.38Å; L137-V140 WeakPolarHBondContact O-CB 3.38Å; L137-V140 PolarHBondContact O-N 3.4Å; L137-F141 HydrophobicContact CB-CD2 3.79Å; L137-F141 HydrophobicContact CB-CE2 3.75Å; L137-F141 HydrophobicContact CD1-CE2 4.09Å; L137-F141 HydrophobicContact CD2-CE2 4.49Å; L137-F141 HydrophobicContact CG-CE2 4.35Å; L137-F141 VanDerWaalsContact O-CD2 3.31Å; L137-F141 WeakPolarHBondContact O-CD2 3.43Å; L137-F141 PolarHBondContact O-N 3.48Å; L137-L148 HydrophobicContact CB-CD1 4.48Å; L137-L153 HydrophobicContact CD1-CD1 3.51Å
138	G	83.1	Confident	81	Confident	11 Å²	11	64.8 Å²	64.8	11%	0.113	31%	0.311	C	S	.	.	H	α-helix	trans	-46.6	-58	176	0	0	0	0	0	113.3	R134 V140 F141 E142	R134-G138 PolarHBondContact O-N 2.92Å; R134-G138 VanDerWaalsContact O-N 3.07Å; G138-V140 PolarHBondContact O-N 3.05Å; G138-F141 PolarHBondContact O-N 2.97Å; G138-E142 WeakPolarHBondContact O-CB 3.24Å; G138-E142 VanDerWaalsContact O-CG 3.29Å; G138-E142 WeakPolarHBondContact O-CG 3.14Å; G138-E142 PolarHBondContact O-N 3.49Å
139	P	81.6	Confident	80.6	Confident	77 Å²	77	64.9 Å²	64.9	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-62.7	-25.5	179.9	-24.2	35	0	0	0	114.6	R143	P139-R143 WeakPolarHBondContact O-CB 3.33Å; P139-R143 PolarHBondContact O-N 3Å
140	V	82.4	Confident	80.3	Confident	15 Å²	15	64.2 Å²	64.2	9%	0.091	31%	0.313	C	S	.	.	H	α-helix	trans	-75.9	-44.5	178.1	174.9	0	0	0	0	110.5	L112 E123 V125 L137 G138 N144	L112-V140 HydrophobicContact CD1-CG1 3.7Å; E123-V140 HydrophobicContact CG-CG1 4.25Å; V125-V140 HydrophobicContact CG2-CG2 4.26Å; L137-V140 WeakPolarHBondContact O-CB 3.38Å; L137-V140 PolarHBondContact O-N 3.4Å; G138-V140 PolarHBondContact O-N 3.05Å; V140-N144 PolarHBondContact O-N 3.16Å; V140-N144 PolarHBondContact O-ND2 2.87Å
141	F	81.6	Confident	80.1	Confident	1 Å²	1	55.5 Å²	55.5	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-74.5	-35.6	177.7	-73.4	-65.7	0	0	0	112.8	L112 F114 L137 G138 N144 G145 I146 L148 V151 L153 V178	L112-F141 HydrophobicContact CD1-CZ 4.41Å; F114-F141 HydrophobicContact CE1-CD1 4.05Å; F114-F141 AromaticContact CE1-CE1 3.61Å; F114-F141 HydrophobicContact CE1-CE1 3.61Å; F114-F141 HydrophobicContact CZ-CE1 4.15Å; L137-F141 HydrophobicContact CB-CD2 3.79Å; L137-F141 HydrophobicContact CB-CE2 3.75Å; L137-F141 HydrophobicContact CD1-CE2 4.09Å; L137-F141 HydrophobicContact CD2-CE2 4.49Å; L137-F141 HydrophobicContact CG-CE2 4.35Å; L137-F141 VanDerWaalsContact O-CD2 3.31Å; L137-F141 WeakPolarHBondContact O-CD2 3.43Å; L137-F141 PolarHBondContact O-N 3.48Å; G138-F141 PolarHBondContact O-N 2.97Å; F141-N144 CarbonylContact O-C 3.46Å; F141-N144 PolarHBondContact O-N 2.78Å; F141-N144 VanDerWaalsContact O-N 3.13Å; F141-G145 PolarHBondContact O-N 3.28Å; F141-I146 HydrophobicContact CB-CB 4.28Å; F141-I146 HydrophobicContact CD1-CB 3.86Å; F141-I146 HydrophobicContact CD1-CD1 4.16Å; F141-I146 HydrophobicContact CD1-CG2 3.67Å; F141-I146 HydrophobicContact CE1-CG2 4.28Å; F141-I146 HydrophobicContact CG-CG2 4.4Å; F141-I146 PolarHBondContact O-N 3.16Å; F141-L148 HydrophobicContact CB-CD1 4.41Å; F141-L148 HydrophobicContact CD2-CD1 3.24Å; F141-L148 HydrophobicContact CE2-CD1 3.69Å; F141-L148 HydrophobicContact CG-CD1 4.06Å; F141-V151 HydrophobicContact CE1-CG1 4.21Å; F141-V151 HydrophobicContact CE1-CG2 4.3Å; F141-V151 HydrophobicContact CZ-CG1 3.88Å; F141-L153 HydrophobicContact CE2-CD2 4.48Å; F141-L153 HydrophobicContact CZ-CD2 4.07Å; F141-V178 HydrophobicContact CE1-CG1 3.64Å; F141-V178 HydrophobicContact CE1-CG2 4.33Å; F141-V178 HydrophobicContact CZ-CG1 3.87Å; F141-V178 HydrophobicContact CZ-CG2 4Å
142	E	77.8	Confident	79.9	Confident	148 Å²	148	54.7 Å²	54.7	69%	0.692	28%	0.276	S	S	*	.	H	α-helix	trans	-58.3	-48.2	171.4	-75.3	167.4	-170.1	0	0	111.5	G138 N144 G145	G138-E142 WeakPolarHBondContact O-CB 3.24Å; G138-E142 VanDerWaalsContact O-CG 3.29Å; G138-E142 WeakPolarHBondContact O-CG 3.14Å; G138-E142 PolarHBondContact O-N 3.49Å; E142-N144 PolarHBondContact O-N 3.23Å; E142-G145 PolarHBondContact O-N 3.02Å; E142-G145 VanDerWaalsContact O-N 3.12Å
143	R	73.7	Confident	79.7	Confident	184 Å²	184	53 Å²	53	69%	0.694	27%	0.265	S	S	*	.	H	α-helix	trans	-57.3	-35.7	173.7	179.8	-169.5	-65.6	156.5	-3.6	112.7	E123 P139	E123-R143 IonicContact OE1-CZ 2.64Å; E123-R143 IonicContact OE1-NH1 3.62Å; E123-R143 PolarHBondContact OE1-NH1 3.24Å; P139-R143 WeakPolarHBondContact O-CB 3.33Å; P139-R143 PolarHBondContact O-N 3Å
144	N	70.3	Confident	79.5	Confident	15 Å²	15	54.5 Å²	54.5	8%	0.08	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	1	-179	-78.6	-74.2	0	0	0	113.9	E123 V140 F141 E142 I146 R199	E123-N144 PolarHBondContact OE2-ND2 3.33Å; V140-N144 PolarHBondContact O-N 3.16Å; V140-N144 PolarHBondContact O-ND2 2.87Å; F141-N144 CarbonylContact O-C 3.46Å; F141-N144 PolarHBondContact O-N 2.78Å; F141-N144 VanDerWaalsContact O-N 3.13Å; E142-N144 PolarHBondContact O-N 3.23Å; N144-I146 HydrophobicContact CB-CD1 4.01Å; N144-I146 HydrophobicContact CB-CG1 4.42Å; N144-R199 PolarHBondContact OD1-NH2 2.92Å
145	G	68.8	Low	79.4	Confident	40 Å²	40	51.8 Å²	51.8	41%	0.412	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	25.5	179.6	0	0	0	0	0	114.5	F141 E142	F141-G145 PolarHBondContact O-N 3.28Å; E142-G145 PolarHBondContact O-N 3.02Å; E142-G145 VanDerWaalsContact O-N 3.12Å
146	I	77.3	Confident	78.6	Confident	16 Å²	16	50.4 Å²	50.4	8%	0.082	26%	0.261	C	S	.	.			trans	-111.6	128.2	-173	-66.6	166.5	0	0	0	110.2	F114 F141 N144 L148 V151 V195	F114-I146 HydrophobicContact CD1-CD1 4.02Å; F114-I146 HydrophobicContact CE1-CD1 3.73Å; F141-I146 HydrophobicContact CB-CB 4.28Å; F141-I146 HydrophobicContact CD1-CB 3.86Å; F141-I146 HydrophobicContact CD1-CD1 4.16Å; F141-I146 HydrophobicContact CD1-CG2 3.67Å; F141-I146 HydrophobicContact CE1-CG2 4.28Å; F141-I146 HydrophobicContact CG-CG2 4.4Å; F141-I146 PolarHBondContact O-N 3.16Å; N144-I146 HydrophobicContact CB-CD1 4.01Å; N144-I146 HydrophobicContact CB-CG1 4.42Å; I146-L148 PolarHBondContact O-N 3.08Å; I146-V151 HydrophobicContact CG2-CG2 3.39Å; I146-V195 HydrophobicContact CG1-CG2 4.04Å
147	E	74.8	Confident	77.3	Confident	103 Å²	103	58.2 Å²	58.2	48%	0.481	30%	0.296	S	S	.	.			trans	-78.7	118	177.5	-158	-166.2	148.9	0	0	110.5	S149 R150	E147-S149 VanDerWaalsContact CG-OG 3.29Å; E147-S149 WeakPolarHBondContact CG-OG 3.39Å; E147-S149 PolarHBondContact O-N 3.29Å; E147-S149 PolarHBondContact OE1-OG 3.32Å; E147-R150 HydrophobicContact CB-CG 4.27Å; E147-R150 PolarHBondContact O-N 2.85Å; E147-R150 IonicContact OE2-CZ 3.69Å; E147-R150 IonicContact OE2-NE 3.94Å; E147-R150 PolarHBondContact OE2-NE 2.91Å; E147-R150 IonicContact OE2-NH2 2.7Å; E147-R150 PolarHBondContact OE2-NH2 3.26Å
148	L	77.1	Confident	76.7	Confident	24 Å²	24	60.1 Å²	60.1	13%	0.126	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-61	-14.6	-176.4	-163	78.5	0	0	0	114.1	R134 L137 F141 I146 R150 L164	R134-L148 HydrophobicContact CB-CD2 4.31Å; R134-L148 HydrophobicContact CG-CD2 3.79Å; L137-L148 HydrophobicContact CB-CD1 4.48Å; F141-L148 HydrophobicContact CB-CD1 4.41Å; F141-L148 HydrophobicContact CD2-CD1 3.24Å; F141-L148 HydrophobicContact CE2-CD1 3.69Å; F141-L148 HydrophobicContact CG-CD1 4.06Å; I146-L148 PolarHBondContact O-N 3.08Å; L148-R150 VanDerWaalsContact C-N 3.28Å; L148-L164 HydrophobicContact CD1-CD2 4.36Å; L148-L164 HydrophobicContact CD2-CD1 4.27Å; L148-L164 HydrophobicContact CG-CD1 4.07Å; L148-L164 HydrophobicContact CG-CD2 4.49Å
149	S	71.8	Confident	76.2	Confident	83 Å²	83	67.3 Å²	67.3	58%	0.58	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-74.5	-14.9	172.9	62.6	0	0	0	0	113.7	E147	E147-S149 VanDerWaalsContact CG-OG 3.29Å; E147-S149 WeakPolarHBondContact CG-OG 3.39Å; E147-S149 PolarHBondContact O-N 3.29Å; E147-S149 PolarHBondContact OE1-OG 3.32Å
150	R	76.3	Confident	75.8	Confident	118 Å²	118	68.3 Å²	68.3	45%	0.445	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-115.3	26.6	-174.2	-50	-173.8	-163.4	-144.3	0.8	112.8	E147 L148 V180 C181	E147-R150 HydrophobicContact CB-CG 4.27Å; E147-R150 PolarHBondContact O-N 2.85Å; E147-R150 IonicContact OE2-CZ 3.69Å; E147-R150 IonicContact OE2-NE 3.94Å; E147-R150 PolarHBondContact OE2-NE 2.91Å; E147-R150 IonicContact OE2-NH2 2.7Å; E147-R150 PolarHBondContact OE2-NH2 3.26Å; L148-R150 VanDerWaalsContact C-N 3.28Å; R150-V180 CarbonylContact O-C 3.56Å; R150-V180 WeakPolarHBondContact O-CA 3.36Å; R150-C181 PolarHBondContact O-N 3.06Å
151	V	79.2	Confident	75.8	Confident	10 Å²	10	70.5 Å²	70.5	6%	0.061	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	121.8	-174.6	176	0	0	0	0	110.5	F141 I146 L153 V178 K179	F141-V151 HydrophobicContact CE1-CG1 4.21Å; F141-V151 HydrophobicContact CE1-CG2 4.3Å; F141-V151 HydrophobicContact CZ-CG1 3.88Å; I146-V151 HydrophobicContact CG2-CG2 3.39Å; V151-L153 HydrophobicContact CG1-CD2 3.8Å; V151-L153 HydrophobicContact CG1-CG 4.29Å; V151-V178 HydrophobicContact CG1-CG1 3.69Å; V151-K179 WeakPolarHBondContact CA-O 3.47Å
152	D	82	Confident	75.9	Confident	65 Å²	65	72.1 Å²	72.1	35%	0.348	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	137.3	163	-78	-39.3	0	0	0	110	F154 P161 K179 C181	D152-F154 HydrophobicContact CB-CD2 4.37Å; D152-F154 HydrophobicContact CB-CE2 3.43Å; D152-F154 VanDerWaalsContact CB-CE2 3.43Å; D152-F154 HydrophobicContact CB-CZ 3.69Å; D152-P161 HydrophobicContact CB-CB 4.05Å; D152-K179 PolarHBondContact N-O 3.09Å; D152-K179 PolarHBondContact O-N 3.38Å; D152-C181 VanDerWaalsContact CG-SG 3.55Å; D152-C181 PolarHBondContact OD2-SG 3.4Å
153	L	84.5	Confident	76.1	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.2	179.1	-61.7	177.4	0	0	0	109.7	L133 L137 F141 V151 P161 L162 L164 V178	L133-L153 HydrophobicContact CD1-CD1 4.16Å; L137-L153 HydrophobicContact CD1-CD1 3.51Å; F141-L153 HydrophobicContact CE2-CD2 4.48Å; F141-L153 HydrophobicContact CZ-CD2 4.07Å; V151-L153 HydrophobicContact CG1-CD2 3.8Å; V151-L153 HydrophobicContact CG1-CG 4.29Å; L153-P161 CarbonylContact O-C 3.28Å; L153-P161 WeakPolarHBondContact O-CA 3.46Å; L153-L162 HydrophobicContact CB-CB 4.32Å; L153-L162 WeakPolarHBondContact O-CB 3.49Å; L153-L162 PolarHBondContact O-N 3.07Å; L153-L164 HydrophobicContact CD1-CD2 3.64Å; L153-L164 HydrophobicContact CG-CD2 4.39Å; L153-V178 HydrophobicContact CD2-CB 4.43Å; L153-V178 HydrophobicContact CD2-CG2 3.84Å
154	F	82.4	Confident	76.6	Confident	33 Å²	33	60.8 Å²	60.8	15%	0.145	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.7	-179	-60.8	-89.5	0	0	0	110.2	D152 N159 P161 L176 K177 K179	D152-F154 HydrophobicContact CB-CD2 4.37Å; D152-F154 HydrophobicContact CB-CE2 3.43Å; D152-F154 VanDerWaalsContact CB-CE2 3.43Å; D152-F154 HydrophobicContact CB-CZ 3.69Å; F154-N159 WeakPolarHBondContact CE1-O 3.43Å; F154-P161 HydrophobicContact CE1-CB 3.92Å; F154-P161 HydrophobicContact CE1-CG 4.41Å; F154-P161 HydrophobicContact CZ-CB 4.07Å; F154-L176 CarbonylContact O-C 3.53Å; F154-L176 VanDerWaalsContact O-CA 3.26Å; F154-L176 WeakPolarHBondContact O-CA 3.39Å; F154-K177 HydrophobicContact CB-CB 4.33Å; F154-K177 PolarHBondContact N-O 2.86Å; F154-K177 PolarHBondContact O-N 3.47Å; F154-K179 HydrophobicContact CD2-CB 4.37Å; F154-K179 HydrophobicContact CE2-CB 3.93Å
155	L	83.7	Confident	77.1	Confident	50 Å²	50	66.1 Å²	66.1	26%	0.262	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	145.9	162.2	-81.2	159.8	0	0	0	108.7	Q157 S158 L162 L171 H174 L176	L155-Q157 PolarHBondContact O-N 2.81Å; L155-S158 PolarHBondContact O-N 2.88Å; L155-L162 HydrophobicContact CD1-CD2 4.22Å; L155-L162 HydrophobicContact CG-CD1 4.32Å; L155-L171 HydrophobicContact CD2-CD2 4.21Å; L155-H174 HydrophobicContact CD2-CB 3.83Å; L155-L176 HydrophobicContact CD2-CD2 3.77Å; L155-L176 HydrophobicContact CG-CD2 4.14Å
156	D	67.8	Low	77.9	Confident	54 Å²	54	68.3 Å²	68.3	29%	0.289	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-3.6	-177.3	-162.3	90.9	0	0	0	115.5	R59 K113 Y175	R59-D156 IonicContact CZ-OD2 2.7Å; R59-D156 IonicContact NH1-OD2 3.59Å; R59-D156 IonicContact NH2-OD2 3.21Å; R59-D156 PolarHBondContact NH2-OD2 3.4Å; K113-D156 IonicContact NZ-OD1 2.68Å; K113-D156 PolarHBondContact NZ-OD1 3.46Å; D156-Y175 PolarHBondContact N-O 3.46Å
157	Q	60	Low	78.4	Confident	174 Å²	174	70 Å²	70	81%	0.813	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.7	9.7	175.9	-59.5	-179.6	4.7	0	0	113.6	L155	L155-Q157 PolarHBondContact O-N 2.81Å
158	S	73.8	Confident	79	Confident	41 Å²	41	65.1 Å²	65.1	29%	0.287	34%	0.344	S	S	.	.			trans	-130.9	129	-175.4	178.7	0	0	0	0	111.9	L155 T160	L155-S158 PolarHBondContact O-N 2.88Å; S158-T160 VanDerWaalsContact C-N 3.28Å; S158-T160 PolarHBondContact OG-N 3.2Å; S158-T160 VanDerWaalsContact OG-N 3.16Å
159	N	72.7	Confident	79.3	Confident	161 Å²	161	68.1 Å²	68.1	86%	0.861	35%	0.354	S	S	*	.	S	Bend	trans	-87.1	6.1	172.2	-65.2	-31.8	0	0	0	113.2	F154	F154-N159 WeakPolarHBondContact CE1-O 3.43Å
160	T	74.5	Confident	79.7	Confident	98 Å²	98	72 Å²	72	60%	0.601	36%	0.356	S	S	*	.	S	Bend	trans	-96.2	126.4	176	-53.2	0	0	0	0	110	S158	S158-T160 VanDerWaalsContact C-N 3.28Å; S158-T160 PolarHBondContact OG-N 3.2Å; S158-T160 VanDerWaalsContact OG-N 3.16Å
161	P	81.3	Confident	80.1	Confident	62 Å²	62	66.7 Å²	66.7	40%	0.403	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-70.6	141.4	-179.5	29	-34.4	0	0	0	112	D152 L153 F154	D152-P161 HydrophobicContact CB-CB 4.05Å; L153-P161 CarbonylContact O-C 3.28Å; L153-P161 WeakPolarHBondContact O-CA 3.46Å; F154-P161 HydrophobicContact CE1-CB 3.92Å; F154-P161 HydrophobicContact CE1-CG 4.41Å; F154-P161 HydrophobicContact CZ-CB 4.07Å
162	L	84.1	Confident	80.3	Confident	35 Å²	35	66.5 Å²	66.5	18%	0.183	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-78.6	134	176.3	-64.2	178.6	0	0	0	111.1	L133 L153 L155 L164 L171 L176	L133-L162 HydrophobicContact CD1-CB 4.37Å; L133-L162 HydrophobicContact CD1-CD1 4.25Å; L153-L162 HydrophobicContact CB-CB 4.32Å; L153-L162 WeakPolarHBondContact O-CB 3.49Å; L153-L162 PolarHBondContact O-N 3.07Å; L155-L162 HydrophobicContact CD1-CD2 4.22Å; L155-L162 HydrophobicContact CG-CD1 4.32Å; L162-L164 PolarHBondContact O-N 3.41Å; L162-L171 HydrophobicContact CD1-CD1 4.13Å; L162-L171 HydrophobicContact CD1-CD2 4.39Å; L162-L176 HydrophobicContact CD1-CD1 4.45Å; L162-L176 HydrophobicContact CD1-CD2 3.59Å
163	S	83.2	Confident	80.1	Confident	71 Å²	71	65.2 Å²	65.2	50%	0.497	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-63.8	126.9	167.5	-180	0	0	0	0	110.6	H165 F166	S163-H165 PolarHBondContact O-N 2.93Å; S163-H165 PolarHBondContact OG-N 3.38Å; S163-H165 PolarHBondContact OG-ND1 2.95Å; S163-F166 VanDerWaalsContact O-CB 3.31Å; S163-F166 WeakPolarHBondContact O-CB 3.41Å; S163-F166 PolarHBondContact O-N 2.92Å
164	L	82.6	Confident	80	Confident	22 Å²	22	69.7 Å²	69.7	12%	0.115	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-9.1	174.7	-68.5	169.8	0	0	0	114	L133 R134 L148 L153 L162	L133-L164 PolarHBondContact N-O 2.74Å; R134-L164 HydrophobicContact CB-CB 4.26Å; R134-L164 WeakPolarHBondContact CB-O 3.4Å; R134-L164 PolarHBondContact N-O 2.64Å; L148-L164 HydrophobicContact CD1-CD2 4.36Å; L148-L164 HydrophobicContact CD2-CD1 4.27Å; L148-L164 HydrophobicContact CG-CD1 4.07Å; L148-L164 HydrophobicContact CG-CD2 4.49Å; L153-L164 HydrophobicContact CD1-CD2 3.64Å; L153-L164 HydrophobicContact CG-CD2 4.39Å; L162-L164 PolarHBondContact O-N 3.41Å
165	H	82.3	Confident	80.1	Confident	127 Å²	127	73.5 Å²	73.5	59%	0.588	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.9	174.6	-52.6	99.3	0	0	0	113.7	S163	S163-H165 PolarHBondContact O-N 2.93Å; S163-H165 PolarHBondContact OG-N 3.38Å; S163-H165 PolarHBondContact OG-ND1 2.95Å
166	F	85.4	Confident	80.3	Confident	87 Å²	87	71.1 Å²	71.1	38%	0.382	36%	0.362	S	S	.	.	S	Bend	trans	-68.2	148.3	179.1	-161.2	-101.8	0	0	0	112	T132 L133 S163 A168 R170 L171	T132-F166 CarbonylContact C-O 3.27Å; T132-F166 WeakPolarHBondContact CA-O 3.12Å; L133-F166 HydrophobicContact CD1-CB 4.21Å; L133-F166 PolarHBondContact N-O 2.87Å; S163-F166 VanDerWaalsContact O-CB 3.31Å; S163-F166 WeakPolarHBondContact O-CB 3.41Å; S163-F166 PolarHBondContact O-N 2.92Å; F166-A168 PolarHBondContact O-N 2.73Å; F166-R170 HydrophobicContact CD1-CB 4.49Å; F166-R170 HydrophobicContact CE1-CB 3.65Å; F166-R170 HydrophobicContact CE1-CG 4.48Å; F166-R170 HydrophobicContact CZ-CB 4.22Å; F166-L171 HydrophobicContact CD1-CD1 3.79Å; F166-L171 HydrophobicContact CD1-CD2 4.33Å; F166-L171 HydrophobicContact CD1-CG 3.98Å; F166-L171 HydrophobicContact CE1-CD1 4.26Å; F166-L171 HydrophobicContact CE1-CD2 4.01Å; F166-L171 HydrophobicContact CE1-CG 3.96Å
167	E	87.8	Confident	81	Confident	52 Å²	52	72.2 Å²	72.2	24%	0.243	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-73.8	118.3	-178	-179.9	176.9	-153.2	0	0	111.4	K130 K131 Y169 R170	K130-E167 PolarHBondContact N-OE1 3.18Å; K131-E167 WeakPolarHBondContact O-CA 3.5Å; E167-Y169 VanDerWaalsContact C-N 3.33Å; E167-Y169 PolarHBondContact O-N 2.92Å; E167-R170 HydrophobicContact CB-CG 4.17Å; E167-R170 HydrophobicContact CG-CG 4.33Å; E167-R170 WeakPolarHBondContact O-CB 3.32Å; E167-R170 PolarHBondContact O-N 2.76Å; E167-R170 VanDerWaalsContact O-N 3.08Å; E167-R170 IonicContact OE2-CZ 2.57Å; E167-R170 IonicContact OE2-NE 2.78Å; E167-R170 PolarHBondContact OE2-NE 2.84Å; E167-R170 IonicContact OE2-NH2 2.8Å; E167-R170 PolarHBondContact OE2-NH2 2.98Å
168	A	86.4	Confident	82.1	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-61.5	-35.1	-172.5	0	0	0	0	0	113.7	F110 K131 L133 V136 F166 R170 L171	F110-A168 HydrophobicContact CE1-CB 4.16Å; K131-A168 PolarHBondContact O-N 2.78Å; L133-A168 HydrophobicContact CD2-CB 4.46Å; V136-A168 HydrophobicContact CB-CB 4.28Å; V136-A168 HydrophobicContact CG2-CB 3.58Å; F166-A168 PolarHBondContact O-N 2.73Å; A168-R170 PolarHBondContact O-N 2.9Å; A168-R170 VanDerWaalsContact O-N 3.17Å; A168-L171 PolarHBondContact O-N 3.32Å
169	Y	83.7	Confident	82.4	Confident	86 Å²	86	66.8 Å²	66.8	34%	0.337	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-57	-29.5	175.4	178.6	-116.5	0	0	0	114.1	A127 M128 K129 E167 L171 G172	A127-Y169 HydrophobicContact CB-CD2 4.5Å; A127-Y169 WeakPolarHBondContact O-CA 3.4Å; A127-Y169 WeakPolarHBondContact O-CD2 3.35Å; M128-Y169 PolarHBondContact O-N 3.02Å; K129-Y169 HydrophobicContact CD-CD1 4.46Å; K129-Y169 HydrophobicContact CD-CD2 4.34Å; K129-Y169 HydrophobicContact CD-CE1 4.47Å; K129-Y169 HydrophobicContact CD-CE2 4.35Å; K129-Y169 HydrophobicContact CD-CG 4.38Å; K129-Y169 VanDerWaalsContact CE-CE1 3.49Å; K129-Y169 WeakPolarHBondContact CE-OH 3.45Å; K129-Y169 HydrophobicContact CG-CD1 3.72Å; K129-Y169 HydrophobicContact CG-CD2 3.72Å; K129-Y169 HydrophobicContact CG-CE1 4.21Å; K129-Y169 HydrophobicContact CG-CE2 4.21Å; K129-Y169 HydrophobicContact CG-CG 3.44Å; K129-Y169 VanDerWaalsContact CG-CG 3.44Å; E167-Y169 VanDerWaalsContact C-N 3.33Å; E167-Y169 PolarHBondContact O-N 2.92Å; Y169-L171 PolarHBondContact O-N 3.29Å; Y169-G172 PolarHBondContact O-N 2.9Å
170	R	81.2	Confident	82.5	Confident	164 Å²	164	60.6 Å²	60.6	62%	0.619	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-73.2	-8.1	-180	-60.9	-177.1	-174.5	-139.2	-0.9	113.6	F166 E167 A168	F166-R170 HydrophobicContact CD1-CB 4.49Å; F166-R170 HydrophobicContact CE1-CB 3.65Å; F166-R170 HydrophobicContact CE1-CG 4.48Å; F166-R170 HydrophobicContact CZ-CB 4.22Å; E167-R170 HydrophobicContact CB-CG 4.17Å; E167-R170 HydrophobicContact CG-CG 4.33Å; E167-R170 WeakPolarHBondContact O-CB 3.32Å; E167-R170 PolarHBondContact O-N 2.76Å; E167-R170 VanDerWaalsContact O-N 3.08Å; E167-R170 IonicContact OE2-CZ 2.57Å; E167-R170 IonicContact OE2-NE 2.78Å; E167-R170 PolarHBondContact OE2-NE 2.84Å; E167-R170 IonicContact OE2-NH2 2.8Å; E167-R170 PolarHBondContact OE2-NH2 2.98Å; A168-R170 PolarHBondContact O-N 2.9Å; A168-R170 VanDerWaalsContact O-N 3.17Å
171	L	83.6	Confident	82	Confident	7 Å²	7	58 Å²	58	4%	0.037	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-107.7	1.1	-178.8	-61.7	167.5	0	0	0	112.2	F110 L133 L155 L162 F166 A168 Y169 G173 H174 L176	F110-L171 WeakPolarHBondContact CB-O 3.04Å; L133-L171 HydrophobicContact CD1-CD1 3.69Å; L133-L171 HydrophobicContact CD2-CD1 3.7Å; L133-L171 HydrophobicContact CG-CD1 3.9Å; L155-L171 HydrophobicContact CD2-CD2 4.21Å; L162-L171 HydrophobicContact CD1-CD1 4.13Å; L162-L171 HydrophobicContact CD1-CD2 4.39Å; F166-L171 HydrophobicContact CD1-CD1 3.79Å; F166-L171 HydrophobicContact CD1-CD2 4.33Å; F166-L171 HydrophobicContact CD1-CG 3.98Å; F166-L171 HydrophobicContact CE1-CD1 4.26Å; F166-L171 HydrophobicContact CE1-CD2 4.01Å; F166-L171 HydrophobicContact CE1-CG 3.96Å; A168-L171 PolarHBondContact O-N 3.32Å; Y169-L171 PolarHBondContact O-N 3.29Å; L171-G173 PolarHBondContact O-N 2.98Å; L171-H174 VanDerWaalsContact O-CB 3.31Å; L171-H174 WeakPolarHBondContact O-CB 3.42Å; L171-H174 PolarHBondContact O-CD2 2.75Å; L171-H174 PolarHBondContact O-N 2.8Å; L171-L176 HydrophobicContact CD1-CD1 4.26Å; L171-L176 HydrophobicContact CD2-CD2 4.49Å
172	G	82.6	Confident	80.8	Confident	7 Å²	7	56.4 Å²	56.4	7%	0.072	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	129.4	171.5	0	0	0	0	0	111.5	S106 C109 Y169	S106-G172 CarbonylContact O-C 3.51Å; C109-G172 CarbonylContact O-C 3.55Å; C109-G172 WeakPolarHBondContact O-CA 3.12Å; Y169-G172 PolarHBondContact O-N 2.9Å
173	G	79.1	Confident	79.1	Confident	38 Å²	38	59.4 Å²	59.4	39%	0.392	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-7	-175	0	0	0	0	0	114.8	S106 C109 L171	S106-G173 WeakPolarHBondContact O-CA 3.47Å; S106-G173 PolarHBondContact O-N 3.16Å; C109-G173 PolarHBondContact O-N 2.76Å; L171-G173 PolarHBondContact O-N 2.98Å
174	H	82.7	Confident	77.4	Confident	94 Å²	94	64.8 Å²	64.8	44%	0.435	32%	0.317	S	S	.	.			trans	-99.1	157.4	-178.6	-63.6	-89.4	0	0	0	113.6	F110 S111 L155 L171	F110-H174 WeakPolarHBondContact CB-O 3.23Å; S111-H174 PolarHBondContact N-O 3.17Å; L155-H174 HydrophobicContact CD2-CB 3.83Å; L171-H174 VanDerWaalsContact O-CB 3.31Å; L171-H174 WeakPolarHBondContact O-CB 3.42Å; L171-H174 PolarHBondContact O-CD2 2.75Å; L171-H174 PolarHBondContact O-N 2.8Å
175	Y	84.5	Confident	75.1	Confident	114 Å²	114	70.3 Å²	70.3	45%	0.447	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.1	169.1	-66.2	-90.5	0	0	0	109.5	S111 D156	S111-Y175 WeakPolarHBondContact O-CA 3.29Å; D156-Y175 PolarHBondContact N-O 3.46Å
176	L	86.2	Confident	73.6	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.7	173.8	-59	-174.3	0	0	0	109.8	F110 S111 L112 K113 L133 F154 L155 L162 L171	F110-L176 HydrophobicContact CD2-CD1 3.66Å; F110-L176 HydrophobicContact CD2-CG 4.09Å; F110-L176 HydrophobicContact CE2-CD1 3.6Å; F110-L176 HydrophobicContact CE2-CG 4.49Å; S111-L176 PolarHBondContact O-N 2.73Å; L112-L176 CarbonylContact C-O 3.49Å; L112-L176 WeakPolarHBondContact CA-O 3.38Å; L112-L176 HydrophobicContact CD2-CB 4.08Å; L112-L176 HydrophobicContact CD2-CD1 4.33Å; K113-L176 PolarHBondContact N-O 2.87Å; L133-L176 HydrophobicContact CD2-CD1 4.11Å; F154-L176 CarbonylContact O-C 3.53Å; F154-L176 VanDerWaalsContact O-CA 3.26Å; F154-L176 WeakPolarHBondContact O-CA 3.39Å; L155-L176 HydrophobicContact CD2-CD2 3.77Å; L155-L176 HydrophobicContact CG-CD2 4.14Å; L162-L176 HydrophobicContact CD1-CD1 4.45Å; L162-L176 HydrophobicContact CD1-CD2 3.59Å; L171-L176 HydrophobicContact CD1-CD1 4.26Å; L171-L176 HydrophobicContact CD2-CD2 4.49Å
177	K	83.9	Confident	71.8	Confident	76 Å²	76	66 Å²	66	33%	0.33	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	123.1	171.5	-178.9	170.4	-179.9	167.5	0	109.3	D115 F154	D115-K177 VanDerWaalsContact CB-CE 3.46Å; D115-K177 HydrophobicContact CB-CG 4.45Å; D115-K177 WeakPolarHBondContact OD1-CE 3.4Å; D115-K177 IonicContact OD1-NZ 2.67Å; D115-K177 PolarHBondContact OD1-NZ 3.2Å; D115-K177 WeakPolarHBondContact OD2-CE 3.3Å; D115-K177 IonicContact OD2-NZ 2.67Å; D115-K177 PolarHBondContact OD2-NZ 2.93Å; F154-K177 HydrophobicContact CB-CB 4.33Å; F154-K177 PolarHBondContact N-O 2.86Å; F154-K177 PolarHBondContact O-N 3.47Å
178	V	83.7	Confident	70.1	Confident	3 Å²	3	69.2 Å²	69.2	2%	0.018	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.3	178.1	177.6	0	0	0	0	108.3	L112 K113 F114 D115 F141 V151 L153	L112-V178 HydrophobicContact CB-CG2 4.1Å; L112-V178 HydrophobicContact CD1-CG2 4.48Å; L112-V178 HydrophobicContact CD2-CG2 4.09Å; L112-V178 HydrophobicContact CG-CG2 4.46Å; K113-V178 WeakPolarHBondContact O-CB 3.48Å; K113-V178 PolarHBondContact O-N 2.84Å; F114-V178 HydrophobicContact CD1-CB 4.24Å; F114-V178 HydrophobicContact CD1-CG1 3.94Å; F114-V178 HydrophobicContact CD1-CG2 4.48Å; F114-V178 HydrophobicContact CE1-CG1 4.18Å; D115-V178 VanDerWaalsContact CB-O 3.32Å; D115-V178 WeakPolarHBondContact CB-O 3.21Å; D115-V178 PolarHBondContact N-O 2.88Å; D115-V178 VanDerWaalsContact N-O 3.08Å; F141-V178 HydrophobicContact CE1-CG1 3.64Å; F141-V178 HydrophobicContact CE1-CG2 4.33Å; F141-V178 HydrophobicContact CZ-CG1 3.87Å; F141-V178 HydrophobicContact CZ-CG2 4Å; V151-V178 HydrophobicContact CG1-CG1 3.69Å; L153-V178 HydrophobicContact CD2-CB 4.43Å; L153-V178 HydrophobicContact CD2-CG2 3.84Å
179	K	78.8	Confident	68.2	Low	98 Å²	98	71.9 Å²	71.9	43%	0.426	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.1	169.9	-166.4	178.6	179.4	-176.6	0	110.2	V151 D152 F154	V151-K179 WeakPolarHBondContact CA-O 3.47Å; D152-K179 PolarHBondContact N-O 3.09Å; D152-K179 PolarHBondContact O-N 3.38Å; F154-K179 HydrophobicContact CD2-CB 4.37Å; F154-K179 HydrophobicContact CE2-CB 3.93Å
180	V	75.1	Confident	66.5	Low	32 Å²	32	74.7 Å²	74.7	19%	0.194	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129	174.8	-177.7	0	0	0	0	109.3	L116 R150 V191	L116-V180 HydrophobicContact CD2-CG2 4.31Å; R150-V180 CarbonylContact O-C 3.56Å; R150-V180 WeakPolarHBondContact O-CA 3.36Å; V180-V191 HydrophobicContact CG1-CG1 3.78Å
181	C	64.8	Low	65	Low	43 Å²	43	69 Å²	69	29%	0.291	40%	0.396	S	S	.	.			trans	-99.8	104.7	-174.1	-58.8	0	0	0	0	109.8	R150 D152	R150-C181 PolarHBondContact O-N 3.06Å; D152-C181 VanDerWaalsContact CG-SG 3.55Å; D152-C181 PolarHBondContact OD2-SG 3.4Å
182	A	55.7	Low	63.3	Low	29 Å²	29	71 Å²	71	24%	0.24	41%	0.413	C	S	.	.			trans	-69.7	135.5	175.1	0	0	0	0	0	110.8	R184 E188	A182-R184 PolarHBondContact O-N 2.86Å; A182-R184 VanDerWaalsContact O-N 3.15Å; A182-E188 HydrophobicContact CB-CB 4.46Å; A182-E188 HydrophobicContact CB-CG 3.58Å
183	A	48.8	Very low	61.5	Low	97 Å²	97	75.3 Å²	75.3	80%	0.802	43%	0.432	S	S	*	.	S	Bend	trans	-67.9	-13.7	-177.4	0	0	0	0	0	114
184	R	45.8	Very low	60.1	Low	184 Å²	184	74.8 Å²	74.8	69%	0.694	43%	0.426	S	S	*	.	S	Bend	trans	-149.4	147	175.5	-62.5	-174.5	-178.9	174	1.3	110.2	A182 G186 D187	A182-R184 PolarHBondContact O-N 2.86Å; A182-R184 VanDerWaalsContact O-N 3.15Å; R184-G186 PolarHBondContact O-N 3.39Å; R184-D187 PolarHBondContact O-N 2.91Å
185	P	36	Very low	58.5	Low	138 Å²	138	71.1 Å²	71.1	90%	0.896	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	130.3	169.8	-22.6	33.7	0	0	0	110.9
186	G	50.5	Low	56.7	Low	68 Å²	68	72 Å²	72	70%	0.701	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.3	-9.5	179.5	0	0	0	0	0	116.5	R184	R184-G186 PolarHBondContact O-N 3.39Å
187	D	47.3	Very low	54.7	Low	56 Å²	56	75.2 Å²	75.2	30%	0.299	43%	0.434	S	S	.	.			trans	-91.5	-4.8	175	-89.5	-26.8	0	0	0	114.3	R184 G189 K190 V191	R184-D187 PolarHBondContact O-N 2.91Å; D187-G189 VanDerWaalsContact C-N 3.31Å; D187-G189 PolarHBondContact O-N 3.4Å; D187-K190 PolarHBondContact O-N 3.39Å; D187-K190 WeakPolarHBondContact OD1-CD 3.37Å; D187-K190 WeakPolarHBondContact OD1-CE 3.1Å; D187-K190 IonicContact OD1-NZ 2.63Å; D187-K190 PolarHBondContact OD1-NZ 3.23Å; D187-V191 PolarHBondContact O-N 3.05Å
188	E	51.2	Low	52.7	Low	119 Å²	119	78.6 Å²	78.6	56%	0.556	45%	0.449	S	S	*	.	H	α-helix	trans	-52.3	-44.3	-176.7	-65.2	179.8	148.8	0	0	112.9	A182 K190 V191 A192	A182-E188 HydrophobicContact CB-CB 4.46Å; A182-E188 HydrophobicContact CB-CG 3.58Å; E188-K190 VanDerWaalsContact C-N 3.3Å; E188-K190 PolarHBondContact O-N 2.96Å; E188-V191 PolarHBondContact O-N 3.02Å; E188-A192 PolarHBondContact O-N 3.4Å
189	G	46.3	Very low	51	Low	56 Å²	56	84.5 Å²	84.5	58%	0.577	47%	0.471	S	S	*	.	H	α-helix	trans	-64.3	-28.8	178.3	0	0	0	0	0	114.5	D187 Q193	D187-G189 VanDerWaalsContact C-N 3.31Å; D187-G189 PolarHBondContact O-N 3.4Å; G189-Q193 WeakPolarHBondContact O-CB 3.5Å; G189-Q193 PolarHBondContact O-N 3.44Å
190	K	48.7	Very low	49.2	Very low	146 Å²	146	83.9 Å²	83.9	64%	0.635	48%	0.479	S	S	*	.	H	α-helix	trans	-76.5	-35	179.4	-61.3	-178.9	-164.6	151.2	0	112	D187 E188 Q193 G194	D187-K190 PolarHBondContact O-N 3.39Å; D187-K190 WeakPolarHBondContact OD1-CD 3.37Å; D187-K190 WeakPolarHBondContact OD1-CE 3.1Å; D187-K190 IonicContact OD1-NZ 2.63Å; D187-K190 PolarHBondContact OD1-NZ 3.23Å; E188-K190 VanDerWaalsContact C-N 3.3Å; E188-K190 PolarHBondContact O-N 2.96Å; K190-Q193 PolarHBondContact O-N 2.88Å; K190-G194 PolarHBondContact O-N 3.49Å
191	V	49.6	Very low	47.4	Very low	45 Å²	45	89.8 Å²	89.8	27%	0.273	50%	0.504	S	S	.	.	H	α-helix	trans	-70.7	-40.9	176.2	-171.4	0	0	0	0	110.2	V180 D187 E188 Q193 G194 V195	V180-V191 HydrophobicContact CG1-CG1 3.78Å; D187-V191 PolarHBondContact O-N 3.05Å; E188-V191 PolarHBondContact O-N 3.02Å; V191-Q193 PolarHBondContact O-N 3.4Å; V191-G194 PolarHBondContact O-N 3.36Å; V191-V195 WeakPolarHBondContact O-CG2 3.43Å; V191-V195 PolarHBondContact O-N 3.04Å; V191-V195 VanDerWaalsContact O-N 3.07Å
192	A	48.3	Very low	45.7	Very low	49 Å²	49	92.4 Å²	92.4	41%	0.405	52%	0.523	S	S	.	.	H	α-helix	trans	-60.3	-43	172.5	0	0	0	0	0	112.4	E188 K196	E188-A192 PolarHBondContact O-N 3.4Å; A192-K196 PolarHBondContact O-N 3.44Å
193	Q	44.7	Very low	44.6	Very low	97 Å²	97	98.5 Å²	98.5	45%	0.453	55%	0.55	S	S	.	*	H	α-helix	trans	-64.2	-45.9	175	-172.4	61.2	43.6	0	0	111.7	G189 K190 V191 V195 K196 D197	G189-Q193 WeakPolarHBondContact O-CB 3.5Å; G189-Q193 PolarHBondContact O-N 3.44Å; K190-Q193 PolarHBondContact O-N 2.88Å; V191-Q193 PolarHBondContact O-N 3.4Å; Q193-V195 VanDerWaalsContact C-N 3.35Å; Q193-V195 PolarHBondContact O-N 3.23Å; Q193-K196 CarbonylContact O-C 3.56Å; Q193-K196 WeakPolarHBondContact O-CA 3.43Å; Q193-K196 VanDerWaalsContact O-CB 3.23Å; Q193-K196 WeakPolarHBondContact O-CB 3.45Å; Q193-K196 PolarHBondContact O-N 3.36Å; Q193-D197 PolarHBondContact NE2-OD1 3.46Å; Q193-D197 VanDerWaalsContact O-CG 3.26Å; Q193-D197 PolarHBondContact O-N 2.96Å
194	G	48.9	Very low	43.8	Very low	27 Å²	27	99.4 Å²	99.4	28%	0.278	55%	0.548	S	S	.	.	H	α-helix	trans	-59.7	-39.6	179	0	0	0	0	0	113.9	K190 V191 K196 D197 F198	K190-G194 PolarHBondContact O-N 3.49Å; V191-G194 PolarHBondContact O-N 3.36Å; G194-K196 VanDerWaalsContact C-N 3.29Å; G194-K196 PolarHBondContact O-N 2.77Å; G194-D197 PolarHBondContact O-N 2.67Å; G194-F198 WeakPolarHBondContact O-CD2 3.37Å; G194-F198 PolarHBondContact O-N 3.15Å
195	V	50	Low	43	Very low	17 Å²	17	98.1 Å²	98.1	10%	0.103	55%	0.553	C	S	.	*	H	α-helix	trans	-65	-34	173.4	171.9	0	0	0	0	111.5	I146 V191 Q193 R199	I146-V195 HydrophobicContact CG1-CG2 4.04Å; V191-V195 WeakPolarHBondContact O-CG2 3.43Å; V191-V195 PolarHBondContact O-N 3.04Å; V191-V195 VanDerWaalsContact O-N 3.07Å; Q193-V195 VanDerWaalsContact C-N 3.35Å; Q193-V195 PolarHBondContact O-N 3.23Å; V195-R199 PolarHBondContact O-N 3.25Å
196	K	47.4	Very low	42.7	Very low	131 Å²	131	100 Å²	100	57%	0.57	55%	0.553	S	S	*	*	H	α-helix	trans	-68.1	-45.6	174.5	-147.1	170.4	-171.8	173.5	0	111.2	A192 Q193 G194 R199 S200	A192-K196 PolarHBondContact O-N 3.44Å; Q193-K196 CarbonylContact O-C 3.56Å; Q193-K196 WeakPolarHBondContact O-CA 3.43Å; Q193-K196 VanDerWaalsContact O-CB 3.23Å; Q193-K196 WeakPolarHBondContact O-CB 3.45Å; Q193-K196 PolarHBondContact O-N 3.36Å; G194-K196 VanDerWaalsContact C-N 3.29Å; G194-K196 PolarHBondContact O-N 2.77Å; K196-R199 PolarHBondContact O-N 2.96Å; K196-S200 PolarHBondContact O-N 3.15Å; K196-S200 PolarHBondContact O-OG 3.12Å
197	D	44.2	Very low	41.7	Very low	69 Å²	69	105.7 Å²	105.7	37%	0.369	56%	0.558	S	S	.	*	H	α-helix	trans	-65.3	-39.2	180	-62.1	-21	0	0	0	112	Q193 G194 S200 H201	Q193-D197 PolarHBondContact NE2-OD1 3.46Å; Q193-D197 VanDerWaalsContact O-CG 3.26Å; Q193-D197 PolarHBondContact O-N 2.96Å; G194-D197 PolarHBondContact O-N 2.67Å; D197-S200 WeakPolarHBondContact CA-OG 3.28Å; D197-S200 PolarHBondContact O-N 3.42Å; D197-S200 PolarHBondContact O-OG 2.74Å; D197-H201 PolarHBondContact O-CD2 3.31Å; D197-H201 PolarHBondContact O-N 3Å; D197-H201 VanDerWaalsContact O-N 3.12Å
198	F	41.9	Very low	40.9	Very low	146 Å²	146	108 Å²	108	64%	0.64	58%	0.576	S	S	*	*	H	α-helix	trans	-65	-37.4	173.6	-97.9	-85	0	0	0	112.8	G194 S200 H201	G194-F198 WeakPolarHBondContact O-CD2 3.37Å; G194-F198 PolarHBondContact O-N 3.15Å; F198-S200 PolarHBondContact O-N 3.43Å; F198-H201 PolarHBondContact O-N 3.15Å
199	R	46.7	Very low	40	Very low	128 Å²	128	108.4 Å²	108.4	48%	0.483	59%	0.589	S	S	.	*	H	α-helix	trans	-63	-30.2	172.6	-79.3	-175.1	173.6	-178.1	0.6	112.4	N144 V195 K196	N144-R199 PolarHBondContact OD1-NH2 2.92Å; V195-R199 PolarHBondContact O-N 3.25Å; K196-R199 PolarHBondContact O-N 2.96Å
200	S	41.8	Very low	39.1	Very low	85 Å²	85	113.3 Å²	113.3	59%	0.594	60%	0.602	S	S	*	*	H	α-helix	trans	-79.9	-13.1	170.4	41.1	0	0	0	0	115.3	K196 D197 F198	K196-S200 PolarHBondContact O-N 3.15Å; K196-S200 PolarHBondContact O-OG 3.12Å; D197-S200 WeakPolarHBondContact CA-OG 3.28Å; D197-S200 PolarHBondContact O-N 3.42Å; D197-S200 PolarHBondContact O-OG 2.74Å; F198-S200 PolarHBondContact O-N 3.43Å
201	H	35.9	Very low	38.1	Very low	156 Å²	156	110 Å²	110	72%	0.722	61%	0.609	S	S	*	*			trans	-108.4	42.1	-178.4	-79.3	-56	0	0	0	114.2	D197 F198 L203	D197-H201 PolarHBondContact O-CD2 3.31Å; D197-H201 PolarHBondContact O-N 3Å; D197-H201 VanDerWaalsContact O-N 3.12Å; F198-H201 PolarHBondContact O-N 3.15Å; H201-L203 PolarHBondContact O-N 3.07Å
202	S	29.5	Very low	37.1	Very low	98 Å²	98	117.1 Å²	117.1	69%	0.685	64%	0.639	S	S	*	*			trans	-92.7	77.5	171.9	-68.7	0	0	0	0	112.7
203	L	34	Very low	36	Very low	156 Å²	156	120 Å²	120	82%	0.817	66%	0.656	S	S	*	*			trans	162.5	124.5	142.7	-91.3	172	0	0	0	111.7	H201	H201-L203 PolarHBondContact O-N 3.07Å
204	P	30.3	Very low	36.1	Very low	117 Å²	117	119.8 Å²	119.8	76%	0.76	66%	0.663	S	S	*	*			trans	-82.2	127.3	167.5	32.2	-31.4	0	0	0	111.3	M206	P204-M206 PolarHBondContact O-N 3.36Å
205	I	30.7	Very low	35	Very low	157 Å²	157	128 Å²	128	81%	0.805	69%	0.687	S	S	*	*			trans	-80.1	108.8	172.3	-62.1	174.3	0	0	0	109	K207	I205-K207 PolarHBondContact O-N 3.3Å
206	M	28.2	Very low	34	Very low	178 Å²	178	134 Å²	134	88%	0.877	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-72.7	123.9	164.1	-66.7	-166.4	74.1	0	0	109.7	P204	P204-M206 PolarHBondContact O-N 3.36Å
207	K	29.9	Very low	33	Very low	186 Å²	186	135 Å²	135	81%	0.809	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-85.1	144.1	165.2	-70.9	-175.8	175.5	-177.1	0	109.7	I205	I205-K207 PolarHBondContact O-N 3.3Å
208	P	30.9	Very low	32.2	Very low	105 Å²	105	137.4 Å²	137.4	68%	0.682	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-69.8	157.6	170.5	31.6	-35.2	0	0	0	111.3
209	P	31.5	Very low	32.1	Very low	128 Å²	128	135.9 Å²	135.9	83%	0.831	75%	0.75	S	S	*	*			trans	-90.6	113.3	174.4	33.5	-29.9	0	0	0	111.5
210	D	28.1	Very low	31.2	Very low	159 Å²	159	141.1 Å²	141.1	85%	0.85	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-88.6	150.5	167.7	-76.6	-50.4	0	0	0	111.8
211	G	28.7	Very low	30.5	Very low	75 Å²	75	144 Å²	144	77%	0.773	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-90.6	155.9	-166.2	0	0	0	0	0	116.9
212	Q	26.8	Very low	30.1	Very low	196 Å²	196	144.6 Å²	144.6	92%	0.916	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-59.9	155.9	155.4	-66	174.8	-1.7	0	0	109.9
213	S	26.8	Very low	30	Very low	108 Å²	108	145.8 Å²	145.8	76%	0.755	78%	0.777	S	S	*	*			cis	-171	-162.8	-2.3	-137.6	0	0	0	0	106.4
214	P	45.1	Very low	29.7	Very low	93 Å²	93	142.1 Å²	142.1	60%	0.604	77%	0.77	S	S	*	*			cis	-125.5	-179.5	-29.5	33	-14.6	0	0	0	112.4
215	Y	26.9	Very low	29.6	Very low	201 Å²	201	143.8 Å²	143.8	79%	0.788	77%	0.767	S	S	*	*				172.2	122.3	123.1	-90.8	-60.2	0	0	0	112.2
216	I	28.9	Very low	29.3	Very low	141 Å²	141	144.2 Å²	144.2	72%	0.723	77%	0.765	S	S	*	*			trans	43.6	123.3	130.8	-69.1	179.6	0	0	0	117.5
217	L	26.6	Very low	29.3	Very low	153 Å²	153	140 Å²	140	80%	0.801	75%	0.753	S	S	*	*			cis	-155.1	-170.2	27.4	-128.4	163.7	0	0	0	113
218	T	26	Very low	29.1	Very low	119 Å²	119	139.2 Å²	139.2	73%	0.73	76%	0.757	S	S	*	*			trans	-124.3	-160.5	-165.8	51.3	0	0	0	0	113.1
219	P	40.9	Very low	28.8	Very low	115 Å²	115	137.7 Å²	137.7	75%	0.747	76%	0.76	S	S	*	*				-132.9	173.7	-74.7	40.1	-24.2	0	0	0	116
220	R	27.1	Very low	28.6	Very low	238 Å²	238	141.7 Å²	141.7	90%	0.898	76%	0.759	S	S	*	*			trans	-167.1	121.2	148.7	-122.4	173.8	175.1	178.1	-1.8	108.8
221	E	27	Very low	28.6	Very low	144 Å²	144	141.6 Å²	141.6	67%	0.673	75%	0.747	S	S	*	*			cis	90.9	94.2	32.2	-155.8	-149	-113.7	0	0	114.5
222	K	28.3	Very low	28.6	Very low	169 Å²	169	144.4 Å²	144.4	74%	0.735	74%	0.74	S	S	*	*				170.7	137.5	112.6	-92.4	-176.1	169.6	145.6	0	116.2
223	V	26.6	Very low	28.7	Very low	124 Å²	124	139.2 Å²	139.2	75%	0.752	73%	0.725	S	S	*	*			trans	46.1	126.3	142.4	-173.3	0	0	0	0	119.6
224	A	28.4	Very low	29	Very low	79 Å²	79	141.2 Å²	141.2	65%	0.653	73%	0.726	S	S	*	*			cis	104.9	155.4	14.9	0	0	0	0	0	116.9
225	H	27.7	Very low	28.4	Very low	152 Å²	152	143.5 Å²	143.5	70%	0.704	73%	0.733	S	S	*	*			trans	76	123.5	-177.3	-65.1	-83.5	0	0	0	115.8
226	E	25	Very low	28.5	Very low	165 Å²	165	140.6 Å²	140.6	77%	0.771	73%	0.731	S	S	*	*				85.6	151.9	57.4	-77.6	-178.5	172.6	0	0	113.8
227	S	27.7	Very low	28.5	Very low	89 Å²	89	141.8 Å²	141.8	62%	0.622	74%	0.737	S	S	*	*			cis	-166.8	163.5	-30.4	66.4	0	0	0	0	111
228	L	26.7	Very low	28.5	Very low	170 Å²	170	137.9 Å²	137.9	89%	0.89	73%	0.734	S	S	*	*			trans	50.8	115.5	155	-64.9	167.3	0	0	0	122.9
229	G	24.3	Very low	28.6	Very low	73 Å²	73	142.1 Å²	142.1	75%	0.753	75%	0.745	S	S	*	*				110.7	131.3	107.3	0	0	0	0	0	123
230	R	26.8	Very low	27.9	Very low	212 Å²	212	141.1 Å²	141.1	80%	0.8	75%	0.747	S	S	*	*			trans	73.6	155.9	152.7	-117.5	-175.3	167.1	-167.1	-3.7	116.6
231	R	29.1	Very low	27.9	Very low	157 Å²	157	140.9 Å²	140.9	59%	0.592	75%	0.746	S	S	*	*			cis	-170.9	142.4	15.5	-165	173.8	-177.9	-150.1	-24.8	113.2
232	E	28.3	Very low	27.9	Very low	134 Å²	134	144.6 Å²	144.6	63%	0.626	75%	0.754	S	S	*	*			trans	51.9	161.2	151.2	-72.1	153.2	-142.5	0	0	120.2
233	S	28.1	Very low	27.9	Very low	88 Å²	88	147.6 Å²	147.6	62%	0.615	76%	0.761	S	S	*	*			cis	-167.1	149.4	-4.5	-116.9	0	0	0	0	113.4
234	I	32.7	Very low	27.9	Very low	150 Å²	150	151.4 Å²	151.4	77%	0.769	77%	0.767	S	S	*	*				45.8	134.5	123.8	-72.3	169.6	0	0	0	119.3
235	D	32.3	Very low	27.8	Very low	140 Å²	140	154.7 Å²	154.7	75%	0.749	77%	0.774	S	S	*	*			cis	-166.8	-170.3	17.3	-144.3	-24.3	0	0	0	115.7
236	L	29.6	Very low	27.8	Very low	141 Å²	141	154 Å²	154	74%	0.738	77%	0.773	S	S	*	*			trans	106	92.8	147.3	-79.7	165	0	0	0	122.8
237	L	30.2	Very low	27.8	Very low	166 Å²	166	151.2 Å²	151.2	87%	0.869	77%	0.767	S	S	*	*				55.9	143.3	128.2	-111.3	75.4	0	0	0	124.3
238	G	26.2	Very low	27.9	Very low	71 Å²	71	154.3 Å²	154.3	73%	0.732	77%	0.771	S	S	*	*			trans	178	24.3	166.6	0	0	0	0	0	126.5
239	Q	27.6	Very low	27.7	Very low	207 Å²	207	154.2 Å²	154.2	97%	0.967	76%	0.764	S	S	*	*			trans	60.5	-174.1	164.6	-64.8	-169	-8.3	0	0	119.8
240	A	26.4	Very low	27.9	Very low	94 Å²	94	156.8 Å²	156.8	78%	0.777	76%	0.76	S	S	*	*			trans	-161.7	168.9	-159.5	0	0	0	0	0	117.3
241	R	28	Very low	27.8	Very low	234 Å²	234	149.5 Å²	149.5	88%	0.883	75%	0.751	S	S	*	*			trans	85	126	159.3	-68.7	-178.5	168.2	-177.1	-1.9	122.1
242	R	26.4	Very low	27.6	Very low	222 Å²	222	150.3 Å²	150.3	84%	0.838	76%	0.762	S	S	*	*			trans	83.1	110	139.5	-78.6	-173.9	169.2	-158.5	-1.1	123.9
243	R	28.6	Very low	27.6	Very low	232 Å²	232	148.8 Å²	148.8	88%	0.875	76%	0.762	S	S	*	*				49.9	120.8	126.3	-75.7	-172.5	172	-178.7	-2.8	123.1
244	K	26.8	Very low	27.5	Very low	203 Å²	203	150.9 Å²	150.9	88%	0.883	77%	0.766	S	S	*	*				-172.3	143	129.2	-94.6	161.7	-177.5	-176.1	0	106.3
245	N	26.4	Very low	27.2	Very low	149 Å²	149	151 Å²	151	80%	0.797	77%	0.767	S	S	*	*				57.6	135.5	61.1	-118.4	22.6	0	0	0	113.9
246	M	27.8	Very low	27.2	Very low	138 Å²	138	149.5 Å²	149.5	68%	0.68	76%	0.764	S	S	*	*			cis	-159.2	-151.1	12.4	-157.5	-161.1	73.5	0	0	111.2
247	T	25	Very low	27.1	Very low	106 Å²	106	148.2 Å²	148.2	65%	0.65	76%	0.762	S	S	*	*			trans	78.2	137.2	175.4	69.8	0	0	0	0	116.2
248	E	28.4	Very low	27	Very low	153 Å²	153	147.6 Å²	147.6	72%	0.715	76%	0.755	S	S	*	*			cis	-152.8	-162.6	-7.8	-125.5	159.7	-114.4	0	0	110.7
249	F	23.4	Very low	27	Very low	168 Å²	168	150.5 Å²	150.5	74%	0.737	75%	0.754	S	S	*	*			cis	-152.7	-149.7	29.6	-165.3	-121.9	0	0	0	113.1
250	L	27.9	Very low	26.9	Very low	127 Å²	127	144.7 Å²	144.7	67%	0.665	74%	0.741	S	S	*	*			trans	-84	167.7	-168.7	-59.8	-179.4	0	0	0	116.6
251	G	25.1	Very low	26.8	Very low	60 Å²	60	148.7 Å²	148.7	62%	0.619	75%	0.749	S	S	*	*			cis	-162.9	155	2.3	0	0	0	0	0	112.3
252	E	25.4	Very low	26.6	Very low	174 Å²	174	141 Å²	141	81%	0.813	74%	0.742	S	S	*	*				105.1	139.9	97.3	-90.3	-169.1	-141.1	0	0	111.9
253	T	26.7	Very low	26.6	Very low	102 Å²	102	139.8 Å²	139.8	63%	0.626	75%	0.746	S	S	*	*			cis	-144	149.3	2.9	42.6	0	0	0	0	113.1
254	N	26.2	Very low	26.7	Very low	132 Å²	132	136.6 Å²	136.6	71%	0.706	75%	0.745	S	S	*	*			trans	37.5	128.4	147.4	-53	-36.6	0	0	0	122.1
255	I	26.2	Very low	27	Very low	152 Å²	152	132.9 Å²	132.9	78%	0.779	74%	0.742	S	S	*	*			cis	72.9	133.2	45.5	-57.2	167.7	0	0	0	110.9
256	P	33.9	Very low	27.1	Very low	108 Å²	108	130.1 Å²	130.1	70%	0.701	74%	0.74	S	S	*	*			cis	-125.9	-159.7	26.9	45.3	-28.4	0	0	0	113.2
257	T	26.8	Very low	27.2	Very low	114 Å²	114	130.9 Å²	130.9	70%	0.699	75%	0.752	S	S	*	*			cis	-174.9	166.6	-11.9	17.2	0	0	0	0	107.4
258	Q	28.3	Very low	27.3	Very low	153 Å²	153	128.9 Å²	128.9	72%	0.715	75%	0.752	S	S	*	*			cis	-163.7	171	-19.2	-145.8	167.5	-99.6	0	0	109.8
259	D	25.5	Very low	27.2	Very low	132 Å²	132	127 Å²	127	71%	0.706	76%	0.762	S	S	*	*			trans	65.5	138.4	148.3	-74.8	-27.5	0	0	0	126.9
260	A	25.3	Very low	27.4	Very low	85 Å²	85	122.3 Å²	122.3	70%	0.702	76%	0.762	S	S	*	*			trans	68.5	125.4	135.5	0	0	0	0	0	124.6
261	L	25.7	Very low	28.1	Very low	179 Å²	179	122.2 Å²	122.2	94%	0.937	77%	0.769	S	S	*	*			trans	25.4	120.4	132.8	-63.4	167.6	0	0	0	120
262	G	23.8	Very low	28.3	Very low	71 Å²	71	126.3 Å²	126.3	73%	0.732	78%	0.776	S	S	*	*			trans	161.3	106.1	150.1	0	0	0	0	0	117.6
263	Q	25.6	Very low	28.5	Very low	197 Å²	197	124.4 Å²	124.4	92%	0.921	77%	0.772	S	S	*	*			trans	41.8	147.3	138.5	-62.4	178.4	-4.4	0	0	122.6
264	L	30.4	Very low	28.6	Very low	166 Å²	166	128.3 Å²	128.3	87%	0.869	78%	0.775	S	S	*	*			trans	-67.7	160	171	-63.5	162.8	0	0	0	112.1
265	P	32.8	Very low	28.9	Very low	125 Å²	125	132 Å²	132	81%	0.812	79%	0.785	S	S	*	*				-122.3	166.7	123.5	36.2	-32.9	0	0	0	113
266	A	29.8	Very low	29.1	Very low	91 Å²	91	130.4 Å²	130.4	75%	0.752	78%	0.778	S	S	*	*			trans	-118.4	-155.1	175.2	0	0	0	0	0	110.1
267	V	29.5	Very low	29	Very low	154 Å²	154	137 Å²	137	93%	0.933	79%	0.789	S	S	*	*			trans	83.9	125.5	-179.3	-170.4	0	0	0	0	113.8
268	G	26.8	Very low	29.3	Very low	63 Å²	63	136.2 Å²	136.2	65%	0.649	79%	0.794	S	S	*	*			cis	168.8	170.5	-8.1	0	0	0	0	0	114.2
269	A	27	Very low	29.5	Very low	113 Å²	113	132.9 Å²	132.9	93%	0.934	79%	0.793	S	S	*	*			trans	52.8	135.2	169.9	0	0	0	0	0	118.1
270	G	27.6	Very low	29.7	Very low	70 Å²	70	132.9 Å²	132.9	72%	0.722	80%	0.803	S	S	*	*			cis	159.7	-174.8	3.6	0	0	0	0	0	107.8
271	P	41.1	Very low	30.3	Very low	126 Å²	126	140.1 Å²	140.1	82%	0.818	81%	0.812	S	S	*	*			cis	-119	-160.4	-10.6	42.6	-27.7	0	0	0	112.4
272	D	29.6	Very low	30.4	Very low	145 Å²	145	141.5 Å²	141.5	78%	0.775	81%	0.811	S	S	*	*			trans	-64	168.5	-176.3	-56.5	-82.4	0	0	0	114.9
273	N	29.9	Very low	31	Very low	134 Å²	134	143.3 Å²	143.3	72%	0.717	81%	0.813	S	S	*	*			cis	-161.3	135.1	39.3	-157.3	14.9	0	0	0	117.7
274	W	28.1	Very low	31	Very low	185 Å²	185	137.7 Å²	137.7	70%	0.701	81%	0.807	S	S	*	*			trans	54.3	113.9	148.5	-138.5	-95.3	0	0	0	123.2	N276	W274-N276 WeakPolarHBondContact CZ2-ND2 3.43Å; W274-N276 WeakPolarHBondContact CZ2-OD1 3.41Å; W274-N276 PolarHBondContact NE1-ND2 2.7Å; W274-N276 PolarHBondContact NE1-OD1 2.83Å
275	K	32.1	Very low	31.3	Very low	208 Å²	208	137.6 Å²	137.6	90%	0.904	81%	0.807	S	S	*	*				-157.5	140	119.6	-108.5	161.7	-172.1	173.7	0	111
276	N	31.8	Very low	31.3	Very low	120 Å²	120	141.8 Å²	141.8	64%	0.642	81%	0.813	S	S	*	*			trans	-83.3	152.3	-156.7	-73.3	-15.1	0	0	0	115.9	W274	W274-N276 WeakPolarHBondContact CZ2-ND2 3.43Å; W274-N276 WeakPolarHBondContact CZ2-OD1 3.41Å; W274-N276 PolarHBondContact NE1-ND2 2.7Å; W274-N276 PolarHBondContact NE1-OD1 2.83Å
277	R	31.5	Very low	31.1	Very low	245 Å²	245	140.9 Å²	140.9	93%	0.925	81%	0.812	S	S	*	*			trans	-141.6	155.1	161.8	-151.9	-178.1	-163	-169.7	6.8	109.3
278	A	32.9	Very low	31.6	Very low	98 Å²	98	139.6 Å²	139.6	81%	0.81	81%	0.81	S	S	*	*			trans	71.9	160.1	179.7	0	0	0	0	0	114.7
279	A	32.8	Very low	31.9	Very low	83 Å²	83	143.5 Å²	143.5	69%	0.686	82%	0.816	S	S	*	*			cis	-143.5	152.2	7.9	0	0	0	0	0	114.1
280	S	30.5	Very low	32.7	Very low	132 Å²	132	143.6 Å²	143.6	92%	0.923	82%	0.817	S	S	*	*				-143.6	116.7	127.8	-81.7	0	0	0	0	108.6
281	R	36.5	Very low	33.4	Very low	237 Å²	237	143.4 Å²	143.4	89%	0.894	82%	0.815	S	S	*	*			trans	-106.3	138.5	169.2	-76.4	178.8	168.7	176.9	-4.1	106.9
282	F	29.1	Very low	33.5	Very low	208 Å²	208	139.8 Å²	139.8	91%	0.912	80%	0.796	S	S	*	*			trans	-121.7	141.6	153.9	-158.3	-93.2	0	0	0	108.4
283	S	35	Very low	34.4	Very low	110 Å²	110	135 Å²	135	77%	0.769	78%	0.78	S	S	*	*			trans	-96.4	130.8	-175.3	-70	0	0	0	0	110.9
284	G	26.8	Very low	35.8	Very low	78 Å²	78	133.6 Å²	133.6	80%	0.804	78%	0.779	S	S	*	*			trans	-151.7	78.1	177.4	0	0	0	0	0	110.8
285	L	35	Very low	37.1	Very low	165 Å²	165	132.9 Å²	132.9	86%	0.864	78%	0.781	S	S	*	*			trans	-79.1	117.6	171.2	-93.4	152.9	0	0	0	109.4
286	F	32.8	Very low	38.5	Very low	213 Å²	213	124.7 Å²	124.7	93%	0.934	76%	0.755	S	S	*	*			trans	173.2	147.4	133.2	-86.5	-56.6	0	0	0	109.7
287	G	27	Very low	40.3	Very low	72 Å²	72	125.4 Å²	125.4	74%	0.742	75%	0.752	S	S	*	*			trans	110.7	83.1	173.1	0	0	0	0	0	115.2	N289	G287-N289 PolarHBondContact O-N 3.11Å
288	S	40	Very low	42.1	Very low	127 Å²	127	118.4 Å²	118.4	89%	0.888	73%	0.73	S	S	*	*			trans	-77.3	104.6	168.7	-65.7	0	0	0	0	110.4
289	N	32.4	Very low	44.1	Very low	145 Å²	145	118.6 Å²	118.6	78%	0.775	72%	0.717	S	S	*	*			trans	-113.8	55.5	177.4	-142.3	41.4	0	0	0	113.1	G287 G291	G287-N289 PolarHBondContact O-N 3.11Å; N289-G291 PolarHBondContact O-N 2.9Å
290	A	43.7	Very low	46.6	Very low	114 Å²	114	118.4 Å²	118.4	94%	0.942	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	63.4	170.9	0	0	0	0	0	111.2
291	G	41.8	Very low	49.3	Very low	66 Å²	66	118.6 Å²	118.6	68%	0.68	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150	-5.6	-175.4	0	0	0	0	0	115.4	N289 G293	N289-G291 PolarHBondContact O-N 2.9Å; G291-G293 PolarHBondContact O-N 3.35Å; G291-G293 VanDerWaalsContact O-N 3.15Å
292	A	43.8	Very low	51.9	Low	51 Å²	51	108.4 Å²	108.4	42%	0.421	65%	0.648	S	S	.	*			trans	-73	104.6	174	0	0	0	0	0	111.1
293	G	49.1	Very low	54.9	Low	43 Å²	43	104 Å²	104	44%	0.443	63%	0.63	S	S	.	*			trans	-63.4	177.2	161	0	0	0	0	0	111.8	G291 F295 G296	G291-G293 PolarHBondContact O-N 3.35Å; G291-G293 VanDerWaalsContact O-N 3.15Å; G293-F295 VanDerWaalsContact C-N 3.35Å; G293-F295 PolarHBondContact O-N 3.48Å; G293-G296 PolarHBondContact O-N 2.89Å
294	P	58.2	Low	57.6	Low	106 Å²	106	102.9 Å²	102.9	69%	0.688	61%	0.613	S	S	*	*	H	α-helix	trans	-47.5	-51.2	-173.5	-30.5	36.3	0	0	0	114.2	G296 K297 E298	P294-G296 PolarHBondContact O-N 2.85Å; P294-G296 VanDerWaalsContact O-N 3.14Å; P294-K297 PolarHBondContact O-N 3.22Å; P294-E298 PolarHBondContact O-N 3.19Å
295	F	55.8	Low	60.8	Low	170 Å²	170	99.2 Å²	99.2	75%	0.746	58%	0.575	S	S	*	*	H	α-helix	trans	-51.7	-35.3	176	-66.2	-76.7	0	0	0	114.7	G293 K297 E298 L299	G293-F295 VanDerWaalsContact C-N 3.35Å; G293-F295 PolarHBondContact O-N 3.48Å; F295-K297 VanDerWaalsContact C-N 3.33Å; F295-K297 PolarHBondContact O-N 3.28Å; F295-E298 PolarHBondContact O-N 3.13Å; F295-L299 PolarHBondContact O-N 3.08Å
296	G	61.2	Low	63.7	Low	35 Å²	35	96.4 Å²	96.4	36%	0.361	56%	0.557	S	S	.	*	H	α-helix	trans	-71.8	-26.8	-179.6	0	0	0	0	0	113.5	G293 P294	G293-G296 PolarHBondContact O-N 2.89Å; P294-G296 PolarHBondContact O-N 2.85Å; P294-G296 VanDerWaalsContact O-N 3.14Å
297	K	70.8	Confident	66.5	Low	136 Å²	136	90.2 Å²	90.2	59%	0.591	54%	0.541	S	S	*	.	H	α-helix	trans	-83.3	-24.7	173.4	-61.8	-177.6	179.3	-178.4	0	112.3	P294 F295 R301	P294-K297 PolarHBondContact O-N 3.22Å; F295-K297 VanDerWaalsContact C-N 3.33Å; F295-K297 PolarHBondContact O-N 3.28Å; K297-R301 WeakPolarHBondContact O-CB 3.07Å; K297-R301 WeakPolarHBondContact O-CD 3.48Å; K297-R301 VanDerWaalsContact O-CG 3.27Å; K297-R301 WeakPolarHBondContact O-CG 3.34Å; K297-R301 PolarHBondContact O-N 3.39Å
298	E	68	Low	69.7	Low	98 Å²	98	90.6 Å²	90.6	46%	0.458	52%	0.522	S	S	.	.	H	α-helix	trans	-75.8	-42.1	177.8	-169.2	161.2	-149.2	0	0	111.3	P294 F295 R301 L302	P294-E298 PolarHBondContact O-N 3.19Å; F295-E298 PolarHBondContact O-N 3.13Å; E298-R301 PolarHBondContact O-N 2.82Å; E298-L302 PolarHBondContact O-N 3.37Å
299	L	75.4	Confident	72.2	Confident	101 Å²	101	84.8 Å²	84.8	53%	0.529	48%	0.481	S	S	.	.	H	α-helix	trans	-60.9	-47.8	172	-175.8	62.8	0	0	0	112.2	F295 R301 L302 E303	F295-L299 PolarHBondContact O-N 3.08Å; L299-R301 VanDerWaalsContact C-N 3.33Å; L299-R301 PolarHBondContact O-N 3.4Å; L299-L302 WeakPolarHBondContact O-CB 3.44Å; L299-L302 PolarHBondContact O-N 2.57Å; L299-E303 PolarHBondContact O-N 2.96Å
300	D	85.7	Confident	75	Confident	80 Å²	80	83.6 Å²	83.6	43%	0.428	47%	0.47	S	S	.	.	H	α-helix	trans	-56.3	-44	175.1	175.3	41.5	0	0	0	112	L302 E303 Q304	D300-L302 VanDerWaalsContact C-N 3.35Å; D300-L302 PolarHBondContact O-N 2.87Å; D300-E303 PolarHBondContact O-N 2.83Å; D300-Q304 WeakPolarHBondContact O-CB 3.13Å; D300-Q304 WeakPolarHBondContact O-CG 3.31Å; D300-Q304 PolarHBondContact O-N 3.04Å; D300-Q304 PolarHBondContact OD1-NE2 3.03Å; D300-Q304 PolarHBondContact OD2-NE2 2.9Å
301	R	86.6	Confident	77.3	Confident	136 Å²	136	80.5 Å²	80.5	51%	0.513	44%	0.442	S	S	.	.	H	α-helix	trans	-63.2	-36.5	173.1	-79.2	171	163.6	-162.7	-9.3	113.4	K297 E298 L299 L305	K297-R301 WeakPolarHBondContact O-CB 3.07Å; K297-R301 WeakPolarHBondContact O-CD 3.48Å; K297-R301 VanDerWaalsContact O-CG 3.27Å; K297-R301 WeakPolarHBondContact O-CG 3.34Å; K297-R301 PolarHBondContact O-N 3.39Å; E298-R301 PolarHBondContact O-N 2.82Å; L299-R301 VanDerWaalsContact C-N 3.33Å; L299-R301 PolarHBondContact O-N 3.4Å; R301-L305 WeakPolarHBondContact O-CB 3.39Å; R301-L305 PolarHBondContact O-N 2.68Å
302	L	91	Very high	79.6	Confident	22 Å²	22	78.2 Å²	78.2	12%	0.115	41%	0.413	C	S	.	.	H	α-helix	trans	-70.5	-40	178.9	-172	63.4	0	0	0	111.5	E298 L299 D300 L305 Q306 E482 P483 T486	E298-L302 PolarHBondContact O-N 3.37Å; L299-L302 WeakPolarHBondContact O-CB 3.44Å; L299-L302 PolarHBondContact O-N 2.57Å; D300-L302 VanDerWaalsContact C-N 3.35Å; D300-L302 PolarHBondContact O-N 2.87Å; L302-L305 PolarHBondContact O-N 3.37Å; L302-Q306 WeakPolarHBondContact O-CG 3.49Å; L302-Q306 PolarHBondContact O-N 3.47Å; L302-E482 HydrophobicContact CD2-CG 4.28Å; L302-P483 HydrophobicContact CD1-CB 4.46Å; L302-P483 HydrophobicContact CD1-CG 4.33Å; L302-T486 HydrophobicContact CD1-CG2 4.43Å
303	E	92.3	Very high	81.8	Confident	115 Å²	115	79.5 Å²	79.5	54%	0.537	42%	0.419	S	S	.	.	H	α-helix	trans	-65.3	-44.4	173.1	-70	-179.1	-169.1	0	0	111.7	L299 D300 L305 Q306 S307	L299-E303 PolarHBondContact O-N 2.96Å; D300-E303 PolarHBondContact O-N 2.83Å; E303-L305 VanDerWaalsContact C-N 3.31Å; E303-L305 PolarHBondContact O-N 2.99Å; E303-Q306 PolarHBondContact O-N 3.05Å; E303-S307 WeakPolarHBondContact O-CB 3.49Å; E303-S307 PolarHBondContact O-N 3.05Å
304	Q	92.8	Very high	83.6	Confident	87 Å²	87	82.7 Å²	82.7	41%	0.407	43%	0.425	S	S	.	.	H	α-helix	trans	-59.4	-40.6	173.7	-71.9	170.1	29.7	0	0	112.2	D300 K308 L399	D300-Q304 WeakPolarHBondContact O-CB 3.13Å; D300-Q304 WeakPolarHBondContact O-CG 3.31Å; D300-Q304 PolarHBondContact O-N 3.04Å; D300-Q304 PolarHBondContact OD1-NE2 3.03Å; D300-Q304 PolarHBondContact OD2-NE2 2.9Å; Q304-K308 PolarHBondContact O-N 2.91Å; Q304-L399 HydrophobicContact CB-CD2 4.37Å
305	L	94.3	Very high	85	Confident	2 Å²	2	85.7 Å²	85.7	1%	0.01	43%	0.428	C	S	.	.	H	α-helix	trans	-63	-52.4	173.5	176.1	62	0	0	0	111.3	R301 L302 E303 S307 K308 L309 L394 L399 L400 P483	R301-L305 WeakPolarHBondContact O-CB 3.39Å; R301-L305 PolarHBondContact O-N 2.68Å; L302-L305 PolarHBondContact O-N 3.37Å; E303-L305 VanDerWaalsContact C-N 3.31Å; E303-L305 PolarHBondContact O-N 2.99Å; L305-S307 PolarHBondContact O-N 2.85Å; L305-K308 WeakPolarHBondContact O-CB 3.37Å; L305-K308 PolarHBondContact O-N 3.35Å; L305-L309 HydrophobicContact CD1-CD1 3.92Å; L305-L309 HydrophobicContact CD1-CD2 4.06Å; L305-L309 HydrophobicContact CD1-CG 3.83Å; L305-L309 HydrophobicContact CD2-CD1 4.5Å; L305-L309 HydrophobicContact CG-CD1 3.88Å; L305-L309 HydrophobicContact CG-CG 4.18Å; L305-L309 VanDerWaalsContact O-CG 3.31Å; L305-L309 WeakPolarHBondContact O-CG 3.23Å; L305-L309 PolarHBondContact O-N 3.47Å; L305-L394 HydrophobicContact CD1-CD1 3.8Å; L305-L394 HydrophobicContact CD1-CD2 3.66Å; L305-L394 HydrophobicContact CD1-CG 4.3Å; L305-L399 HydrophobicContact CB-CD1 4.19Å; L305-L399 HydrophobicContact CD1-CD1 4.25Å; L305-L400 HydrophobicContact CD2-CD2 4.45Å; L305-P483 HydrophobicContact CD2-CB 3.85Å; L305-P483 WeakPolarHBondContact CD2-O 3.45Å
306	Q	94.3	Very high	86.3	Confident	105 Å²	105	79.5 Å²	79.5	49%	0.491	41%	0.411	S	S	.	.	H	α-helix	trans	-57.5	-38.8	179.6	-72.1	177.5	18.7	0	0	112.2	L302 E303 L309 H310 T486	L302-Q306 WeakPolarHBondContact O-CG 3.49Å; L302-Q306 PolarHBondContact O-N 3.47Å; E303-Q306 PolarHBondContact O-N 3.05Å; Q306-L309 PolarHBondContact O-N 3.5Å; Q306-H310 WeakPolarHBondContact O-CB 3.46Å; Q306-H310 PolarHBondContact O-N 3.49Å; Q306-T486 HydrophobicContact CG-CG2 4.15Å
307	S	93.6	Very high	87.2	Confident	84 Å²	84	80.3 Å²	80.3	59%	0.587	41%	0.407	S	S	*	.	H	α-helix	trans	-61.7	-45.5	173.3	-175.3	0	0	0	0	112.8	E303 L305 H310 S311	E303-S307 WeakPolarHBondContact O-CB 3.49Å; E303-S307 PolarHBondContact O-N 3.05Å; L305-S307 PolarHBondContact O-N 2.85Å; S307-H310 PolarHBondContact O-N 3.08Å; S307-S311 PolarHBondContact O-N 2.92Å
308	K	92.3	Very high	87.4	Confident	80 Å²	80	76.8 Å²	76.8	35%	0.348	40%	0.398	S	S	.	.	H	α-helix	trans	-62	-44.7	174.3	-80.5	-85.7	179.3	160.5	0	112.5	Q304 L305 S311 Y312 L394 S397 L399	Q304-K308 PolarHBondContact O-N 2.91Å; L305-K308 WeakPolarHBondContact O-CB 3.37Å; L305-K308 PolarHBondContact O-N 3.35Å; K308-S311 WeakPolarHBondContact O-CB 3.38Å; K308-S311 PolarHBondContact O-N 3.46Å; K308-Y312 PolarHBondContact O-N 2.97Å; K308-L394 HydrophobicContact CB-CD2 3.89Å; K308-S397 WeakPolarHBondContact CE-OG 3.46Å; K308-S397 PolarHBondContact NZ-OG 3.22Å; K308-L399 HydrophobicContact CG-CD1 4.15Å
309	L	93.1	Very high	87.3	Confident	4 Å²	4	79.4 Å²	79.4	2%	0.021	41%	0.408	C	S	.	.	H	α-helix	trans	-65.7	-38.8	178.8	-62.4	-179.2	0	0	0	112.1	L305 Q306 Y312 S313 L394 T486 Y487 W490	L305-L309 HydrophobicContact CD1-CD1 3.92Å; L305-L309 HydrophobicContact CD1-CD2 4.06Å; L305-L309 HydrophobicContact CD1-CG 3.83Å; L305-L309 HydrophobicContact CD2-CD1 4.5Å; L305-L309 HydrophobicContact CG-CD1 3.88Å; L305-L309 HydrophobicContact CG-CG 4.18Å; L305-L309 VanDerWaalsContact O-CG 3.31Å; L305-L309 WeakPolarHBondContact O-CG 3.23Å; L305-L309 PolarHBondContact O-N 3.47Å; Q306-L309 PolarHBondContact O-N 3.5Å; L309-Y312 HydrophobicContact CD2-CD2 4.25Å; L309-Y312 PolarHBondContact O-N 3.35Å; L309-S313 PolarHBondContact O-N 2.96Å; L309-S313 PolarHBondContact O-OG 2.92Å; L309-L394 HydrophobicContact CD2-CD1 3.98Å; L309-L394 HydrophobicContact CD2-CD2 4.31Å; L309-T486 HydrophobicContact CD1-CG2 4.23Å; L309-Y487 HydrophobicContact CD2-CD2 3.74Å; L309-Y487 HydrophobicContact CD2-CE2 4.34Å; L309-W490 HydrophobicContact CB-CD2 4.12Å; L309-W490 HydrophobicContact CB-CG 3.99Å; L309-W490 HydrophobicContact CD1-CB 3.92Å; L309-W490 HydrophobicContact CD1-CD2 4.42Å; L309-W490 HydrophobicContact CD1-CG 4.02Å; L309-W490 HydrophobicContact CD2-CD2 3.85Å; L309-W490 HydrophobicContact CD2-CE3 3.81Å; L309-W490 HydrophobicContact CD2-CG 4.32Å; L309-W490 HydrophobicContact CD2-CZ3 4.23Å; L309-W490 HydrophobicContact CG-CD2 4.32Å; L309-W490 HydrophobicContact CG-CG 4.31Å; L309-W490 PolarHBondContact O-NE1 2.92Å; L309-W490 VanDerWaalsContact O-NE1 3.14Å
310	H	92.2	Very high	86.7	Confident	120 Å²	120	75.7 Å²	75.7	56%	0.556	39%	0.39	S	S	*	.	H	α-helix	trans	-63	-42	173	-175.5	60.3	0	0	0	111.8	Q306 S307 Y312 S313 L314	Q306-H310 WeakPolarHBondContact O-CB 3.46Å; Q306-H310 PolarHBondContact O-N 3.49Å; S307-H310 PolarHBondContact O-N 3.08Å; H310-Y312 PolarHBondContact O-N 3.3Å; H310-S313 WeakPolarHBondContact O-CB 3.26Å; H310-S313 PolarHBondContact O-N 2.93Å; H310-L314 WeakPolarHBondContact O-CG 3.34Å; H310-L314 PolarHBondContact O-N 3.44Å; H310-L314 VanDerWaalsContact O-N 3.13Å
311	S	91.6	Very high	85.3	Confident	49 Å²	49	73.3 Å²	73.3	34%	0.343	38%	0.378	S	S	.	.	H	α-helix	trans	-58.8	-44.8	172.9	-170	0	0	0	0	111.9	S307 K308 S313 L314 F315	S307-S311 PolarHBondContact O-N 2.92Å; K308-S311 WeakPolarHBondContact O-CB 3.38Å; K308-S311 PolarHBondContact O-N 3.46Å; S311-S313 VanDerWaalsContact C-N 3.31Å; S311-S313 PolarHBondContact O-N 3.39Å; S311-L314 PolarHBondContact O-N 3.45Å; S311-L314 VanDerWaalsContact O-N 3.09Å; S311-F315 WeakPolarHBondContact O-CD2 3.41Å; S311-F315 PolarHBondContact O-N 3.41Å
312	Y	90.6	Very high	83.8	Confident	18 Å²	18	75.3 Å²	75.3	7%	0.071	39%	0.386	C	S	.	.	H	α-helix	trans	-64.7	-31.5	175.7	-61	-18.1	0	0	0	113.2	K308 L309 H310 L314 G316 L317 P318 N393 L394 W490	K308-Y312 PolarHBondContact O-N 2.97Å; L309-Y312 HydrophobicContact CD2-CD2 4.25Å; L309-Y312 PolarHBondContact O-N 3.35Å; H310-Y312 PolarHBondContact O-N 3.3Å; Y312-L314 VanDerWaalsContact C-N 3.33Å; Y312-G316 WeakPolarHBondContact CA-O 3.34Å; Y312-G316 CarbonylContact O-C 3.56Å; Y312-G316 WeakPolarHBondContact O-CA 3.39Å; Y312-G316 PolarHBondContact O-N 3.36Å; Y312-L317 HydrophobicContact CD2-CD2 3.59Å; Y312-L317 HydrophobicContact CE2-CD2 4.04Å; Y312-L317 HydrophobicContact CG-CD2 3.87Å; Y312-P318 HydrophobicContact CD1-CG 4.44Å; Y312-P318 VanDerWaalsContact CE1-CD 3.43Å; Y312-P318 HydrophobicContact CE1-CG 3.78Å; Y312-N393 PolarHBondContact OH-O 2.97Å; Y312-L394 HydrophobicContact CE2-CD2 3.74Å; Y312-L394 HydrophobicContact CE2-CG 4.01Å; Y312-W490 HydrophobicContact CD2-CH2 4.18Å; Y312-W490 HydrophobicContact CD2-CZ2 4.48Å
313	S	88.7	Confident	82	Confident	79 Å²	79	82.3 Å²	82.3	55%	0.552	42%	0.418	S	S	*	.	H	α-helix	trans	-70.3	-24.7	172.2	-68.2	0	0	0	0	114.1	L309 H310 S311 W490	L309-S313 PolarHBondContact O-N 2.96Å; L309-S313 PolarHBondContact O-OG 2.92Å; H310-S313 WeakPolarHBondContact O-CB 3.26Å; H310-S313 PolarHBondContact O-N 2.93Å; S311-S313 VanDerWaalsContact C-N 3.31Å; S311-S313 PolarHBondContact O-N 3.39Å; S313-W490 PolarHBondContact OG-NE1 3.17Å
314	L	88.4	Confident	80.1	Confident	109 Å²	109	80.2 Å²	80.2	57%	0.571	41%	0.41	S	S	*	.	H	α-helix	trans	-91.2	-39.8	179.6	-69.6	176.4	0	0	0	113.1	H310 S311 Y312	H310-L314 WeakPolarHBondContact O-CG 3.34Å; H310-L314 PolarHBondContact O-N 3.44Å; H310-L314 VanDerWaalsContact O-N 3.13Å; S311-L314 PolarHBondContact O-N 3.45Å; S311-L314 VanDerWaalsContact O-N 3.09Å; Y312-L314 VanDerWaalsContact C-N 3.33Å
315	F	87.1	Confident	78.2	Confident	170 Å²	170	78 Å²	78	75%	0.746	40%	0.404	S	S	*	.	H	α-helix	trans	-113.3	-0.9	-170.9	-55.5	-67.8	0	0	0	114	S311	S311-F315 WeakPolarHBondContact O-CD2 3.41Å; S311-F315 PolarHBondContact O-N 3.41Å
316	G	82.3	Confident	76.3	Confident	39 Å²	39	80.9 Å²	80.9	40%	0.402	42%	0.417	S	S	.	.			trans	81.7	173.6	-171	0	0	0	0	0	112.8	Y312	Y312-G316 WeakPolarHBondContact CA-O 3.34Å; Y312-G316 CarbonylContact O-C 3.56Å; Y312-G316 WeakPolarHBondContact O-CA 3.39Å; Y312-G316 PolarHBondContact O-N 3.36Å
317	L	79.8	Confident	74.3	Confident	53 Å²	53	78.2 Å²	78.2	28%	0.277	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-71.6	135.1	171.3	-78.9	175.2	0	0	0	110.3	Y312 D385 L386 W490	Y312-L317 HydrophobicContact CD2-CD2 3.59Å; Y312-L317 HydrophobicContact CE2-CD2 4.04Å; Y312-L317 HydrophobicContact CG-CD2 3.87Å; L317-D385 VanDerWaalsContact CD1-O 3.28Å; L317-D385 WeakPolarHBondContact CD1-O 3.43Å; L317-L386 HydrophobicContact CD1-CD1 3.96Å; L317-W490 HydrophobicContact CD2-CH2 4.12Å
318	P	76	Confident	71.9	Confident	62 Å²	62	82.3 Å²	82.3	40%	0.403	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-67	147.8	172.1	26.7	-30.9	0	0	0	110.5	Y312 V320 N393	Y312-P318 HydrophobicContact CD1-CG 4.44Å; Y312-P318 VanDerWaalsContact CE1-CD 3.43Å; Y312-P318 HydrophobicContact CE1-CG 3.78Å; P318-V320 PolarHBondContact O-N 2.92Å; P318-N393 HydrophobicContact CG-CB 4.11Å; P318-N393 PolarHBondContact O-ND2 3.39Å
319	K	66.1	Low	69.3	Low	153 Å²	153	84 Å²	84	67%	0.665	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-61.5	127.6	173.3	-65.9	-173	176.3	-171.1	0	109.3	E332	K319-E332 WeakPolarHBondContact CE-OE1 3.48Å; K319-E332 IonicContact NZ-OE1 2.87Å; K319-E332 PolarHBondContact NZ-OE1 2.94Å; K319-E332 IonicContact NZ-OE2 2.75Å; K319-E332 PolarHBondContact NZ-OE2 2.91Å
320	V	62.8	Low	66.8	Low	23 Å²	23	87.8 Å²	87.8	14%	0.139	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-59.2	135.5	179.2	177.6	0	0	0	0	109.9	P318 L324 C389	P318-V320 PolarHBondContact O-N 2.92Å; V320-L324 HydrophobicContact CG1-CB 3.47Å; V320-L324 VanDerWaalsContact CG1-CB 3.47Å; V320-C389 HydrophobicContact CG2-CB 3.51Å; V320-C389 VanDerWaalsContact CG2-SG 3.6Å
321	P	56.6	Low	64.7	Low	29 Å²	29	85.9 Å²	85.9	19%	0.188	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-53.4	146.3	178.7	-26.8	33.5	0	0	0	112.7	Q323 L324 S325 E396	P321-Q323 PolarHBondContact O-N 3.06Å; P321-L324 CarbonylContact O-C 3.6Å; P321-L324 WeakPolarHBondContact O-CA 3.35Å; P321-L324 PolarHBondContact O-N 3.26Å; P321-S325 PolarHBondContact O-N 2.97Å; P321-E396 WeakPolarHBondContact CG-OE1 3.4Å; P321-E396 VanDerWaalsContact CG-OE2 3.29Å; P321-E396 WeakPolarHBondContact CG-OE2 3.5Å
322	R	54.2	Low	62.3	Low	178 Å²	178	90.6 Å²	90.6	67%	0.672	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-19	-175.3	-88.7	-176.8	165.8	161.5	-3.8	115.3	S325 D329	R322-S325 WeakPolarHBondContact CA-OG 3.39Å; R322-S325 PolarHBondContact O-OG 3.41Å; R322-D329 IonicContact CZ-OD1 3.11Å; R322-D329 IonicContact CZ-OD2 2.83Å; R322-D329 VanDerWaalsContact CZ-OD2 3.3Å; R322-D329 IonicContact NE-OD1 3.63Å; R322-D329 PolarHBondContact NE-OD1 3.43Å; R322-D329 VanDerWaalsContact NE-OD1 3.16Å; R322-D329 IonicContact NE-OD2 2.7Å; R322-D329 PolarHBondContact NE-OD2 3.31Å; R322-D329 IonicContact NH2-OD1 3.16Å; R322-D329 PolarHBondContact NH2-OD1 3.21Å; R322-D329 IonicContact NH2-OD2 2.68Å; R322-D329 PolarHBondContact NH2-OD2 3.07Å
323	Q	52.8	Low	60.1	Low	170 Å²	170	92.4 Å²	92.4	79%	0.794	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-18.2	174.9	-59.8	81.9	-5.6	0	0	113.1	P321	P321-Q323 PolarHBondContact O-N 3.06Å
324	L	52.8	Low	58.2	Low	70 Å²	70	95.8 Å²	95.8	37%	0.366	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-5.5	177.1	-65.8	174.6	0	0	0	112.1	V320 P321 F326	V320-L324 HydrophobicContact CG1-CB 3.47Å; V320-L324 VanDerWaalsContact CG1-CB 3.47Å; P321-L324 CarbonylContact O-C 3.6Å; P321-L324 WeakPolarHBondContact O-CA 3.35Å; P321-L324 PolarHBondContact O-N 3.26Å; L324-F326 WeakPolarHBondContact O-CE1 3.23Å; L324-F326 VanDerWaalsContact O-CE2 3.3Å; L324-F326 WeakPolarHBondContact O-CE2 3.33Å; L324-F326 WeakPolarHBondContact O-CZ 3.47Å; L324-F326 PolarHBondContact O-N 2.68Å
325	S	52	Low	56.4	Low	40 Å²	40	91.8 Å²	91.8	28%	0.28	47%	0.468	S	S	.	.			trans	-72.4	113.3	179.6	64.7	0	0	0	0	110.6	P321 R322 H327	P321-S325 PolarHBondContact O-N 2.97Å; R322-S325 WeakPolarHBondContact CA-OG 3.39Å; R322-S325 PolarHBondContact O-OG 3.41Å; S325-H327 PolarHBondContact O-N 2.8Å
326	F	54.6	Low	54.9	Low	64 Å²	64	90 Å²	90	28%	0.281	46%	0.461	S	S	.	.	S	Bend	trans	-71.5	13.3	-178	-49.8	-66.1	0	0	0	114.9	L324 L392 Q413	L324-F326 WeakPolarHBondContact O-CE1 3.23Å; L324-F326 VanDerWaalsContact O-CE2 3.3Å; L324-F326 WeakPolarHBondContact O-CE2 3.33Å; L324-F326 WeakPolarHBondContact O-CZ 3.47Å; L324-F326 PolarHBondContact O-N 2.68Å; F326-L392 HydrophobicContact CE2-CD1 3.37Å; F326-L392 HydrophobicContact CZ-CD1 3.35Å; F326-Q413 VanDerWaalsContact CE1-NE2 3.29Å; F326-Q413 VanDerWaalsContact CG-CD 3.46Å
327	H	52.9	Low	53.8	Low	48 Å²	48	91.3 Å²	91.3	22%	0.222	47%	0.469	C	S	.	.	S	Bend	trans	-141	103	-159.8	-73.3	-73.5	0	0	0	108.7	S325 D329 W331	S325-H327 PolarHBondContact O-N 2.8Å; H327-D329 VanDerWaalsContact C-N 3.35Å; H327-D329 PolarHBondContact O-N 3.3Å; H327-W331 HydrophobicContact CB-CB 4.19Å; H327-W331 VanDerWaalsContact CB-CD1 3.45Å; H327-W331 HydrophobicContact CB-CD2 4.31Å; H327-W331 HydrophobicContact CB-CG 3.72Å; H327-W331 AromaticContact CE1-CD2 3.98Å; H327-W331 AromaticContact CE1-CE3 3.84Å; H327-W331 AromaticContact CG-CG 3.86Å; H327-W331 AromaticContact ND1-CD1 3.77Å; H327-W331 AromaticContact ND1-CD2 3.1Å; H327-W331 AromaticContact ND1-CE2 3.38Å; H327-W331 AromaticContact ND1-CE3 3.42Å; H327-W331 AromaticContact ND1-CG 3.41Å; H327-W331 AromaticContact ND1-CZ2 3.93Å; H327-W331 AromaticContact ND1-CZ3 3.95Å; H327-W331 AromaticContact ND1-NE1 3.77Å
328	H	43.7	Very low	53.5	Low	170 Å²	170	91.1 Å²	91.1	79%	0.787	47%	0.468	S	S	*	.			trans	-72.9	84.3	179.7	-177.1	-66.3	0	0	0	110.9	S330	H328-S330 WeakPolarHBondContact O-CB 3.09Å; H328-S330 PolarHBondContact O-N 2.83Å
329	D	36.7	Very low	53.9	Low	115 Å²	115	88.3 Å²	88.3	62%	0.615	45%	0.449	S	S	*	.	S	Bend	trans	46.6	21.7	162.2	-83.7	-20	0	0	0	118.2	R322 H327	R322-D329 IonicContact CZ-OD1 3.11Å; R322-D329 IonicContact CZ-OD2 2.83Å; R322-D329 VanDerWaalsContact CZ-OD2 3.3Å; R322-D329 IonicContact NE-OD1 3.63Å; R322-D329 PolarHBondContact NE-OD1 3.43Å; R322-D329 VanDerWaalsContact NE-OD1 3.16Å; R322-D329 IonicContact NE-OD2 2.7Å; R322-D329 PolarHBondContact NE-OD2 3.31Å; R322-D329 IonicContact NH2-OD1 3.16Å; R322-D329 PolarHBondContact NH2-OD1 3.21Å; R322-D329 IonicContact NH2-OD2 2.68Å; R322-D329 PolarHBondContact NH2-OD2 3.07Å; H327-D329 VanDerWaalsContact C-N 3.35Å; H327-D329 PolarHBondContact O-N 3.3Å
330	S	40.2	Very low	54.6	Low	85 Å²	85	85 Å²	85	59%	0.594	44%	0.442	S	S	*	.			trans	-129.9	21	-175.2	-170.6	0	0	0	0	114.2	H328	H328-S330 WeakPolarHBondContact O-CB 3.09Å; H328-S330 PolarHBondContact O-N 2.83Å
331	W	49.3	Very low	55.9	Low	79 Å²	79	85.4 Å²	85.4	30%	0.299	44%	0.443	S	S	.	.			trans	-121.3	-1.2	-163.3	-60	82.4	0	0	0	114.9	H327 E335 R417 I420	H327-W331 HydrophobicContact CB-CB 4.19Å; H327-W331 VanDerWaalsContact CB-CD1 3.45Å; H327-W331 HydrophobicContact CB-CD2 4.31Å; H327-W331 HydrophobicContact CB-CG 3.72Å; H327-W331 AromaticContact CE1-CD2 3.98Å; H327-W331 AromaticContact CE1-CE3 3.84Å; H327-W331 AromaticContact CG-CG 3.86Å; H327-W331 AromaticContact ND1-CD1 3.77Å; H327-W331 AromaticContact ND1-CD2 3.1Å; H327-W331 AromaticContact ND1-CE2 3.38Å; H327-W331 AromaticContact ND1-CE3 3.42Å; H327-W331 AromaticContact ND1-CG 3.41Å; H327-W331 AromaticContact ND1-CZ2 3.93Å; H327-W331 AromaticContact ND1-CZ3 3.95Å; H327-W331 AromaticContact ND1-NE1 3.77Å; W331-E335 VanDerWaalsContact CE3-OE2 3.3Å; W331-E335 WeakPolarHBondContact CZ3-OE2 3.45Å; W331-R417 HydrophobicContact CH2-CG 4.48Å; W331-I420 HydrophobicContact CH2-CG2 4.37Å; W331-I420 HydrophobicContact CZ3-CD1 3.82Å; W331-I420 HydrophobicContact CZ3-CG2 4.2Å
332	E	39.9	Very low	57.5	Low	149 Å²	149	86.6 Å²	86.6	70%	0.696	45%	0.446	S	S	*	.	S	Bend	trans	-94.4	117.2	174.9	-63.9	-169.2	-158.2	0	0	110.5	K319 E334	K319-E332 WeakPolarHBondContact CE-OE1 3.48Å; K319-E332 IonicContact NZ-OE1 2.87Å; K319-E332 PolarHBondContact NZ-OE1 2.94Å; K319-E332 IonicContact NZ-OE2 2.75Å; K319-E332 PolarHBondContact NZ-OE2 2.91Å; E332-E334 PolarHBondContact O-N 3.15Å
333	G	45.4	Very low	59.1	Low	56 Å²	56	86.1 Å²	86.1	58%	0.577	46%	0.457	S	S	*	.	S	Bend	trans	94.7	-71.5	173.9	0	0	0	0	0	115.3	E335 E336	G333-E335 PolarHBondContact O-N 2.9Å; G333-E336 PolarHBondContact O-N 3.2Å
334	E	47.8	Very low	60.9	Low	150 Å²	150	79.9 Å²	79.9	70%	0.701	43%	0.432	S	S	*	.	H	α-helix	trans	-63.7	-40.5	-162.3	-63.1	-169.6	173.2	0	0	114.5	E332 E336 A337 N338	E332-E334 PolarHBondContact O-N 3.15Å; E334-E336 PolarHBondContact O-N 3.03Å; E334-A337 PolarHBondContact O-N 3.46Å; E334-N338 PolarHBondContact O-N 2.94Å; E334-N338 VanDerWaalsContact O-N 3.14Å; E334-N338 PolarHBondContact O-ND2 3.15Å
335	E	51.7	Low	62.8	Low	24 Å²	24	76.9 Å²	76.9	11%	0.112	42%	0.415	C	S	.	.	H	α-helix	trans	-71.7	-27.9	-178.4	-73.3	-140.3	140.7	0	0	114.5	W331 G333 A337 N338 L339 R381 I420 N424	W331-E335 VanDerWaalsContact CE3-OE2 3.3Å; W331-E335 WeakPolarHBondContact CZ3-OE2 3.45Å; G333-E335 PolarHBondContact O-N 2.9Å; E335-A337 VanDerWaalsContact C-N 3.35Å; E335-N338 PolarHBondContact O-N 3.11Å; E335-L339 PolarHBondContact O-N 3.11Å; E335-R381 IonicContact OE2-NH2 3.98Å; E335-R381 PolarHBondContact OE2-NH2 2.96Å; E335-I420 WeakPolarHBondContact OE1-CG2 3.35Å; E335-I420 VanDerWaalsContact OE2-CG2 3.31Å; E335-I420 WeakPolarHBondContact OE2-CG2 3.43Å; E335-N424 PolarHBondContact OE1-ND2 3.29Å
336	E	55.9	Low	64.7	Low	132 Å²	132	79.1 Å²	79.1	62%	0.617	42%	0.42	S	S	*	.	H	α-helix	trans	-72.3	-35	178.8	-168.9	156.9	-131.9	0	0	110.8	G333 E334 L339	G333-E336 PolarHBondContact O-N 3.2Å; E334-E336 PolarHBondContact O-N 3.03Å; E336-L339 PolarHBondContact O-N 3.08Å
337	A	59	Low	66.5	Low	67 Å²	67	79.6 Å²	79.6	55%	0.554	43%	0.429	S	S	*	.	H	α-helix	trans	-63.3	-39.6	167.8	0	0	0	0	0	112.5	E334 E335 L339 V340	E334-A337 PolarHBondContact O-N 3.46Å; E335-A337 VanDerWaalsContact C-N 3.35Å; A337-L339 PolarHBondContact O-N 3.26Å; A337-V340 WeakPolarHBondContact O-CB 3.45Å; A337-V340 WeakPolarHBondContact O-CG2 3.4Å; A337-V340 PolarHBondContact O-N 3.44Å
338	N	73.8	Confident	68.3	Low	49 Å²	49	77.5 Å²	77.5	26%	0.262	42%	0.419	S	S	.	.	H	α-helix	trans	-64.5	-19.2	175.8	-77.4	-39.9	0	0	0	113.7	E334 E335 W423 L428	E334-N338 PolarHBondContact O-N 2.94Å; E334-N338 VanDerWaalsContact O-N 3.14Å; E334-N338 PolarHBondContact O-ND2 3.15Å; E335-N338 PolarHBondContact O-N 3.11Å; N338-W423 PolarHBondContact O-NE1 2.99Å; N338-L428 HydrophobicContact CB-CD2 3.83Å
339	L	83.2	Confident	70.5	Confident	3 Å²	3	70.2 Å²	70.2	2%	0.016	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	13.9	174	-69.1	165.4	0	0	0	113.3	E335 E336 A337 A374 I377 K378 W423	E335-L339 PolarHBondContact O-N 3.11Å; E336-L339 PolarHBondContact O-N 3.08Å; A337-L339 PolarHBondContact O-N 3.26Å; L339-A374 HydrophobicContact CD2-CB 4.19Å; L339-I377 HydrophobicContact CD1-CG2 3.71Å; L339-I377 HydrophobicContact CD2-CB 4.24Å; L339-I377 HydrophobicContact CD2-CD1 3.91Å; L339-I377 HydrophobicContact CD2-CG2 4.02Å; L339-K378 WeakPolarHBondContact O-CE 3.32Å; L339-K378 PolarHBondContact O-NZ 3.36Å; L339-W423 HydrophobicContact CD2-CD2 4.12Å; L339-W423 HydrophobicContact CD2-CG 3.94Å
340	V	81.8	Confident	73	Confident	84 Å²	84	69.9 Å²	69.9	51%	0.509	38%	0.384	S	S	.	.			trans	-87.1	121.1	172.9	-179.5	0	0	0	0	110.6	A337 R435	A337-V340 WeakPolarHBondContact O-CB 3.45Å; A337-V340 WeakPolarHBondContact O-CG2 3.4Å; A337-V340 PolarHBondContact O-N 3.44Å; V340-R435 PolarHBondContact O-NH2 3.01Å
341	M	89.4	Confident	75.1	Confident	31 Å²	31	71.5 Å²	71.5	15%	0.153	39%	0.386	C	S	.	.			trans	-115.7	157.1	169.9	-65	-179.9	67.7	0	0	109	W367 L370 N371 A374 W423 L431	M341-W367 HydrophobicContact CB-CH2 4.42Å; M341-W367 HydrophobicContact CE-CD2 3.92Å; M341-W367 HydrophobicContact CE-CE3 3.66Å; M341-W367 HydrophobicContact CE-CH2 3.53Å; M341-W367 HydrophobicContact CE-CZ2 3.76Å; M341-W367 HydrophobicContact CE-CZ3 3.46Å; M341-W367 VanDerWaalsContact CE-CZ3 3.46Å; M341-L370 HydrophobicContact CE-CB 3.77Å; M341-L370 HydrophobicContact SD-CB 4.42Å; M341-N371 HydrophobicContact CE-CB 4.08Å; M341-N371 HydrophobicContact SD-CB 4.2Å; M341-A374 HydrophobicContact SD-CB 4.03Å; M341-W423 HydrophobicContact CG-CH2 4.06Å; M341-W423 HydrophobicContact CG-CZ2 4.26Å; M341-W423 HydrophobicContact SD-CH2 3.59Å; M341-W423 VanDerWaalsContact SD-CH2 3.59Å; M341-W423 HydrophobicContact SD-CZ2 4.34Å; M341-W423 HydrophobicContact SD-CZ3 4.4Å; M341-L431 HydrophobicContact CE-CD2 4.4Å; M341-L431 HydrophobicContact CG-CD2 4.02Å
342	E	89.3	Confident	76.7	Confident	55 Å²	55	69.3 Å²	69.3	26%	0.257	38%	0.382	S	S	.	.			trans	-66.3	166.4	167.5	-55.5	87.8	158.2	0	0	110.6	S344 T347 L348 W367 R435	E342-S344 VanDerWaalsContact C-N 3.29Å; E342-S344 PolarHBondContact O-N 2.91Å; E342-T347 VanDerWaalsContact CB-OG1 3.27Å; E342-T347 WeakPolarHBondContact CB-OG1 3.46Å; E342-T347 WeakPolarHBondContact CG-OG1 3.25Å; E342-L348 WeakPolarHBondContact OE1-CD2 3.41Å; E342-W367 HydrophobicContact CB-CH2 4.24Å; E342-W367 HydrophobicContact CB-CZ2 4.39Å; E342-W367 VanDerWaalsContact O-CZ2 3.3Å; E342-W367 WeakPolarHBondContact O-CZ2 3.32Å; E342-R435 VanDerWaalsContact CD-NH2 3.3Å; E342-R435 IonicContact OE1-CZ 3.76Å; E342-R435 IonicContact OE1-NE 3.54Å; E342-R435 PolarHBondContact OE1-NE 3.3Å; E342-R435 IonicContact OE1-NH2 2.97Å; E342-R435 PolarHBondContact OE1-NH2 3.4Å; E342-R435 IonicContact OE2-CZ 3.96Å; E342-R435 IonicContact OE2-NE 3.72Å; E342-R435 PolarHBondContact OE2-NE 3.2Å; E342-R435 IonicContact OE2-NH2 2.76Å; E342-R435 PolarHBondContact OE2-NH2 3.19Å
343	D	87.9	Confident	78.9	Confident	168 Å²	168	71.4 Å²	71.4	90%	0.898	39%	0.391	S	S	*	.	S	Bend	trans	-72.2	-23.4	177.3	-60.3	-63.7	0	0	0	112.9
344	S	91.7	Very high	80.9	Confident	38 Å²	38	74 Å²	74	27%	0.266	40%	0.397	S	S	.	.			trans	-153	139.4	-177.7	-168.1	0	0	0	0	112.3	E342 K346 T347 W367	E342-S344 VanDerWaalsContact C-N 3.29Å; E342-S344 PolarHBondContact O-N 2.91Å; S344-K346 PolarHBondContact O-N 3.48Å; S344-T347 PolarHBondContact O-N 2.95Å; S344-T347 VanDerWaalsContact O-N 3.08Å; S344-T347 PolarHBondContact O-OG1 2.96Å; S344-W367 VanDerWaalsContact C-CZ2 3.49Å
345	W	93.1	Very high	82.9	Confident	7 Å²	7	68.4 Å²	68.4	3%	0.027	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-53.6	-22.8	173.1	61	-97.6	0	0	0	113.6	T347 L348 L349 L355 F360 Q363 E364 W367 L441	W345-T347 PolarHBondContact O-N 2.68Å; W345-L348 HydrophobicContact CB-CD1 4.41Å; W345-L348 VanDerWaalsContact O-CB 3.24Å; W345-L348 WeakPolarHBondContact O-CB 3.39Å; W345-L348 VanDerWaalsContact O-CG 3.31Å; W345-L348 WeakPolarHBondContact O-CG 3.29Å; W345-L348 PolarHBondContact O-N 2.7Å; W345-L348 VanDerWaalsContact O-N 3.11Å; W345-L349 HydrophobicContact CE3-CD1 4.33Å; W345-L349 HydrophobicContact CZ3-CD1 3.94Å; W345-L355 HydrophobicContact CH2-CD1 3.72Å; W345-L355 HydrophobicContact CZ3-CD1 3.53Å; W345-F360 HydrophobicContact CH2-CB 4.43Å; W345-F360 AromaticContact CH2-CD2 3.59Å; W345-F360 HydrophobicContact CH2-CD2 3.59Å; W345-F360 AromaticContact CH2-CE2 3.98Å; W345-F360 HydrophobicContact CH2-CE2 3.98Å; W345-F360 HydrophobicContact CH2-CG 4.03Å; W345-F360 HydrophobicContact CZ2-CD1 4.21Å; W345-F360 AromaticContact CZ2-CD2 3.69Å; W345-F360 HydrophobicContact CZ2-CD2 3.69Å; W345-F360 HydrophobicContact CZ2-CE1 4.3Å; W345-F360 AromaticContact CZ2-CE2 3.81Å; W345-F360 HydrophobicContact CZ2-CE2 3.81Å; W345-F360 AromaticContact CZ2-CG 3.89Å; W345-F360 HydrophobicContact CZ2-CG 3.89Å; W345-F360 HydrophobicContact CZ2-CZ 4.11Å; W345-Q363 HydrophobicContact CD2-CB 3.53Å; W345-Q363 HydrophobicContact CD2-CG 4.38Å; W345-Q363 HydrophobicContact CE3-CB 3.64Å; W345-Q363 HydrophobicContact CE3-CG 3.98Å; W345-Q363 HydrophobicContact CG-CB 4.1Å; W345-Q363 HydrophobicContact CH2-CB 4.03Å; W345-Q363 HydrophobicContact CH2-CG 4.39Å; W345-Q363 HydrophobicContact CZ2-CB 3.91Å; W345-Q363 HydrophobicContact CZ3-CB 3.9Å; W345-Q363 HydrophobicContact CZ3-CG 4Å; W345-E364 HydrophobicContact CZ2-CG 4.34Å; W345-W367 HydrophobicContact CB-CB 4.09Å; W345-W367 HydrophobicContact CB-CD2 3.63Å; W345-W367 HydrophobicContact CB-CE3 3.63Å; W345-W367 HydrophobicContact CB-CG 3.86Å; W345-W367 HydrophobicContact CB-CZ3 4.16Å; W345-W367 AromaticContact CD1-CD1 3.98Å; W345-W367 AromaticContact CD1-CG 3.77Å; W345-W367 HydrophobicContact CG-CB 4.22Å; W345-W367 HydrophobicContact CG-CD2 4.47Å; W345-W367 HydrophobicContact CG-CG 4.23Å; W345-W367 VanDerWaalsContact N-CE2 3.28Å; W345-L441 HydrophobicContact CB-CD1 4.44Å
346	K	92.4	Very high	84.8	Confident	88 Å²	88	70.9 Å²	70.9	38%	0.383	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-58.3	-31.7	177.6	-63.5	-177.5	-176.6	-173.7	0	112.9	S344 L348 L349 P352	S344-K346 PolarHBondContact O-N 3.48Å; K346-L348 PolarHBondContact O-N 2.75Å; K346-L349 PolarHBondContact O-N 2.97Å; K346-P352 HydrophobicContact CB-CB 4.21Å; K346-P352 HydrophobicContact CB-CG 4.41Å; K346-P352 HydrophobicContact CG-CB 4.42Å
347	T	91.8	Very high	86.5	Confident	74 Å²	74	73.1 Å²	73.1	45%	0.454	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-71.7	-12.3	-179.4	63.9	0	0	0	0	113	E342 S344 W345 L349 R438	E342-T347 VanDerWaalsContact CB-OG1 3.27Å; E342-T347 WeakPolarHBondContact CB-OG1 3.46Å; E342-T347 WeakPolarHBondContact CG-OG1 3.25Å; S344-T347 PolarHBondContact O-N 2.95Å; S344-T347 VanDerWaalsContact O-N 3.08Å; S344-T347 PolarHBondContact O-OG1 2.96Å; W345-T347 PolarHBondContact O-N 2.68Å; T347-L349 PolarHBondContact O-N 2.79Å; T347-R438 PolarHBondContact O-NH1 3.39Å
348	L	90.7	Very high	88	Confident	3 Å²	3	74.1 Å²	74.1	2%	0.016	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-71.3	-19.1	172.6	-57.1	176.5	0	0	0	112.5	E342 W345 K346 W367 L431 A434 R435 R438 L441	E342-L348 WeakPolarHBondContact OE1-CD2 3.41Å; W345-L348 HydrophobicContact CB-CD1 4.41Å; W345-L348 VanDerWaalsContact O-CB 3.24Å; W345-L348 WeakPolarHBondContact O-CB 3.39Å; W345-L348 VanDerWaalsContact O-CG 3.31Å; W345-L348 WeakPolarHBondContact O-CG 3.29Å; W345-L348 PolarHBondContact O-N 2.7Å; W345-L348 VanDerWaalsContact O-N 3.11Å; K346-L348 PolarHBondContact O-N 2.75Å; L348-W367 HydrophobicContact CD1-CZ3 4.04Å; L348-L431 HydrophobicContact CD1-CD1 4Å; L348-L431 HydrophobicContact CD2-CD1 3.98Å; L348-A434 HydrophobicContact CD1-CB 4.3Å; L348-R435 HydrophobicContact CD2-CG 3.5Å; L348-R438 CarbonylContact O-C 3.52Å; L348-R438 VanDerWaalsContact O-C 3.28Å; L348-R438 VanDerWaalsContact O-CA 3.23Å; L348-R438 WeakPolarHBondContact O-CA 3.29Å; L348-R438 PolarHBondContact O-NH1 2.94Å; L348-L441 HydrophobicContact CD1-CD1 4Å; L348-L441 HydrophobicContact CD1-CD2 4.22Å; L348-L441 HydrophobicContact CD1-CG 4Å
349	L	90.6	Very high	88.9	Confident	18 Å²	18	75 Å²	75	9%	0.094	39%	0.387	C	S	.	.			trans	-110.1	158	-174.8	-52.3	178.2	0	0	0	110.8	W345 K346 T347 P352 L355 R438 L440	W345-L349 HydrophobicContact CE3-CD1 4.33Å; W345-L349 HydrophobicContact CZ3-CD1 3.94Å; K346-L349 PolarHBondContact O-N 2.97Å; T347-L349 PolarHBondContact O-N 2.79Å; L349-P352 HydrophobicContact CB-CB 4.34Å; L349-P352 HydrophobicContact CD1-CB 4.17Å; L349-L355 HydrophobicContact CD1-CD1 3.7Å; L349-L355 HydrophobicContact CD1-CG 4.44Å; L349-R438 WeakPolarHBondContact CD2-O 3.37Å; L349-R438 PolarHBondContact O-NH2 3.06Å; L349-L440 HydrophobicContact CD1-CD2 3.89Å; L349-L440 HydrophobicContact CD2-CD2 4.35Å; L349-L440 HydrophobicContact CD2-CG 4.48Å
350	D	87.4	Confident	89.4	Confident	107 Å²	107	77.7 Å²	77.7	57%	0.572	40%	0.399	S	S	*	.	S	Bend	trans	-84.2	-50	170.9	-60.8	-51.4	0	0	0	111.4	P352 R438	D350-P352 VanDerWaalsContact C-CD 3.41Å; D350-P352 WeakPolarHBondContact O-CD 3.5Å; D350-R438 IonicContact OD1-CZ 2.67Å; D350-R438 IonicContact OD1-NE 3.01Å; D350-R438 PolarHBondContact OD1-NE 2.79Å; D350-R438 IonicContact OD1-NH2 2.99Å; D350-R438 PolarHBondContact OD1-NH2 2.95Å; D350-R438 WeakPolarHBondContact OD2-CB 3.48Å; D350-R438 IonicContact OD2-NE 3.9Å; D350-R438 PolarHBondContact OD2-NE 3.41Å
351	D	84.9	Confident	90.1	Very high	120 Å²	120	78 Å²	78	64%	0.642	40%	0.395	S	S	*	.			trans	-116.5	65.2	-177.2	-67.7	-60.3	0	0	0	113.7	E353 T354	D351-E353 PolarHBondContact O-N 3.45Å; D351-E353 VanDerWaalsContact O-N 3.09Å; D351-T354 HydrophobicContact CB-CG2 3.9Å; D351-T354 PolarHBondContact O-N 2.83Å; D351-T354 PolarHBondContact O-OG1 3.5Å
352	P	83.1	Confident	90.4	Very high	33 Å²	33	77.8 Å²	77.8	21%	0.214	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-65	-14.5	-174.9	27.5	-36.2	0	0	0	114.9	K346 L349 D350 T354 L355	K346-P352 HydrophobicContact CB-CB 4.21Å; K346-P352 HydrophobicContact CB-CG 4.41Å; K346-P352 HydrophobicContact CG-CB 4.42Å; L349-P352 HydrophobicContact CB-CB 4.34Å; L349-P352 HydrophobicContact CD1-CB 4.17Å; D350-P352 VanDerWaalsContact C-CD 3.41Å; D350-P352 WeakPolarHBondContact O-CD 3.5Å; P352-T354 VanDerWaalsContact C-N 3.3Å; P352-L355 WeakPolarHBondContact O-CG 3.25Å
353	E	85.5	Confident	90.7	Very high	192 Å²	192	75.3 Å²	75.3	90%	0.897	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-75.2	-18.2	177.6	-56.6	-160	150.5	0	0	113.5	D351 L355	D351-E353 PolarHBondContact O-N 3.45Å; D351-E353 VanDerWaalsContact O-N 3.09Å; E353-L355 PolarHBondContact O-N 3.05Å
354	T	87.7	Confident	91.1	Very high	112 Å²	112	70.9 Å²	70.9	69%	0.687	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-73.7	-12.6	179.4	61.2	0	0	0	0	113.7	D351 P352	D351-T354 HydrophobicContact CB-CG2 3.9Å; D351-T354 PolarHBondContact O-N 2.83Å; D351-T354 PolarHBondContact O-OG1 3.5Å; P352-T354 VanDerWaalsContact C-N 3.3Å
355	L	89.6	Confident	91.4	Very high	32 Å²	32	69 Å²	69	17%	0.168	34%	0.343	C	S	.	.	S	Bend	trans	-71.4	141.9	-172	-63.1	179	0	0	0	112.9	W345 L349 P352 E353 Q359 L440	W345-L355 HydrophobicContact CH2-CD1 3.72Å; W345-L355 HydrophobicContact CZ3-CD1 3.53Å; L349-L355 HydrophobicContact CD1-CD1 3.7Å; L349-L355 HydrophobicContact CD1-CG 4.44Å; P352-L355 WeakPolarHBondContact O-CG 3.25Å; E353-L355 PolarHBondContact O-N 3.05Å; L355-Q359 HydrophobicContact CB-CB 4.49Å; L355-L440 HydrophobicContact CD1-CD2 3.89Å; L355-L440 HydrophobicContact CD2-CD1 4.1Å; L355-L440 HydrophobicContact CD2-CD2 3.85Å; L355-L440 HydrophobicContact CD2-CG 4.39Å
356	T	92.2	Very high	91.6	Very high	75 Å²	75	68.7 Å²	68.7	46%	0.46	34%	0.342	S	S	.	.			trans	-61	148.2	166.7	66.3	0	0	0	0	109.9	R358 Q359 F360	T356-R358 PolarHBondContact O-N 3.47Å; T356-Q359 PolarHBondContact O-N 2.91Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.35Å; T356-Q359 PolarHBondContact OG1-N 2.89Å; T356-Q359 VanDerWaalsContact OG1-N 3.15Å; T356-Q359 PolarHBondContact OG1-OE1 3.31Å; T356-F360 PolarHBondContact O-N 2.93Å
357	K	91.9	Very high	91.8	Very high	179 Å²	179	65.4 Å²	65.4	78%	0.778	33%	0.327	S	S	*	.	H	α-helix	trans	-51.3	-23.9	171.3	-65.4	-176.5	179.2	-179.1	0	112.6	H361	K357-H361 PolarHBondContact O-N 3.15Å; K357-H361 PolarHBondContact O-ND1 3.4Å
358	R	90.9	Very high	92.1	Very high	88 Å²	88	66.3 Å²	66.3	33%	0.332	33%	0.326	S	S	.	.	H	α-helix	trans	-79.7	-50.4	-177.3	-171.6	51.3	167	171.3	10.2	111.7	T356 F360 H361 Q362 K525 D528	T356-R358 PolarHBondContact O-N 3.47Å; R358-F360 VanDerWaalsContact C-N 3.34Å; R358-F360 PolarHBondContact O-N 2.92Å; R358-H361 PolarHBondContact O-N 3.05Å; R358-Q362 PolarHBondContact O-N 2.91Å; R358-Q362 VanDerWaalsContact O-N 3.1Å; R358-K525 VanDerWaalsContact CZ-O 3.26Å; R358-K525 PolarHBondContact NH1-O 3.47Å; R358-K525 PolarHBondContact NH2-O 2.76Å; R358-D528 WeakPolarHBondContact CG-OD2 3.37Å; R358-D528 IonicContact CZ-OD1 2.62Å; R358-D528 VanDerWaalsContact NE-CG 3.32Å; R358-D528 IonicContact NE-OD1 3.98Å; R358-D528 PolarHBondContact NE-OD1 3Å; R358-D528 IonicContact NE-OD2 2.89Å; R358-D528 PolarHBondContact NE-OD2 2.87Å; R358-D528 VanDerWaalsContact NE-OD2 3.16Å; R358-D528 IonicContact NH2-OD1 3.3Å; R358-D528 PolarHBondContact NH2-OD1 3.08Å
359	Q	92.2	Very high	92.4	Very high	67 Å²	67	66.2 Å²	66.2	31%	0.313	33%	0.326	S	S	.	.	H	α-helix	trans	-57.9	-45.1	169.8	-70.7	158.4	-57.2	0	0	111.4	L355 T356 H361 Q362 Q363	L355-Q359 HydrophobicContact CB-CB 4.49Å; T356-Q359 PolarHBondContact O-N 2.91Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.35Å; T356-Q359 PolarHBondContact OG1-N 2.89Å; T356-Q359 VanDerWaalsContact OG1-N 3.15Å; T356-Q359 PolarHBondContact OG1-OE1 3.31Å; Q359-H361 PolarHBondContact O-N 3.23Å; Q359-Q362 WeakPolarHBondContact O-CA 3.48Å; Q359-Q362 WeakPolarHBondContact O-CB 3.2Å; Q359-Q362 PolarHBondContact O-N 2.87Å; Q359-Q363 WeakPolarHBondContact O-CG 3.28Å; Q359-Q363 PolarHBondContact O-N 3.12Å
360	F	94.4	Very high	92.7	Very high	60 Å²	60	65.3 Å²	65.3	26%	0.263	32%	0.321	S	S	.	.	H	α-helix	trans	-51.7	-54.9	177.7	-174.2	-78.6	0	0	0	111.9	W345 T356 R358 Q362 Q363 E364	W345-F360 HydrophobicContact CH2-CB 4.43Å; W345-F360 AromaticContact CH2-CD2 3.59Å; W345-F360 HydrophobicContact CH2-CD2 3.59Å; W345-F360 AromaticContact CH2-CE2 3.98Å; W345-F360 HydrophobicContact CH2-CE2 3.98Å; W345-F360 HydrophobicContact CH2-CG 4.03Å; W345-F360 HydrophobicContact CZ2-CD1 4.21Å; W345-F360 AromaticContact CZ2-CD2 3.69Å; W345-F360 HydrophobicContact CZ2-CD2 3.69Å; W345-F360 HydrophobicContact CZ2-CE1 4.3Å; W345-F360 AromaticContact CZ2-CE2 3.81Å; W345-F360 HydrophobicContact CZ2-CE2 3.81Å; W345-F360 AromaticContact CZ2-CG 3.89Å; W345-F360 HydrophobicContact CZ2-CG 3.89Å; W345-F360 HydrophobicContact CZ2-CZ 4.11Å; T356-F360 PolarHBondContact O-N 2.93Å; R358-F360 VanDerWaalsContact C-N 3.34Å; R358-F360 PolarHBondContact O-N 2.92Å; F360-Q362 VanDerWaalsContact C-N 3.3Å; F360-Q362 PolarHBondContact O-N 2.63Å; F360-Q363 PolarHBondContact O-N 3.2Å; F360-E364 HydrophobicContact CD1-CG 4.26Å; F360-E364 HydrophobicContact CE1-CG 4.11Å; F360-E364 WeakPolarHBondContact CE1-OE1 3.14Å; F360-E364 PolarHBondContact O-N 3.2Å; F360-E364 VanDerWaalsContact O-N 3.08Å
361	H	94.6	Very high	93.1	Very high	92 Å²	92	63.5 Å²	63.5	43%	0.426	31%	0.311	S	S	.	.	H	α-helix	trans	-62.7	-35.8	178	-70.8	117.8	0	0	0	112.5	K357 R358 Q359 E364 A365 K526	K357-H361 PolarHBondContact O-N 3.15Å; K357-H361 PolarHBondContact O-ND1 3.4Å; R358-H361 PolarHBondContact O-N 3.05Å; Q359-H361 PolarHBondContact O-N 3.23Å; H361-E364 WeakPolarHBondContact CA-OE2 3.33Å; H361-E364 IonicContact CD2-OE2 3.35Å; H361-E364 PolarHBondContact CD2-OE2 2.96Å; H361-E364 VanDerWaalsContact CD2-OE2 3.3Å; H361-E364 IonicContact CG-OE2 2.83Å; H361-E364 WeakPolarHBondContact O-CB 3.19Å; H361-E364 PolarHBondContact O-N 3.08Å; H361-A365 PolarHBondContact O-N 3.25Å; H361-A365 VanDerWaalsContact O-N 3.17Å; H361-K526 HydrophobicContact CB-CD 4.23Å; H361-K526 HydrophobicContact CB-CG 4.33Å; H361-K526 VanDerWaalsContact O-CD 3.23Å; H361-K526 WeakPolarHBondContact O-CD 3.35Å; H361-K526 WeakPolarHBondContact O-CE 3.48Å; H361-K526 PolarHBondContact O-NZ 2.84Å
362	Q	95.9	Very high	93.6	Very high	26 Å²	26	60 Å²	60	12%	0.121	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-46.5	176.8	-167.6	-162.4	29.8	0	0	111.1	R358 Q359 F360 E364 A365 I366 K526 T527	R358-Q362 PolarHBondContact O-N 2.91Å; R358-Q362 VanDerWaalsContact O-N 3.1Å; Q359-Q362 WeakPolarHBondContact O-CA 3.48Å; Q359-Q362 WeakPolarHBondContact O-CB 3.2Å; Q359-Q362 PolarHBondContact O-N 2.87Å; F360-Q362 VanDerWaalsContact C-N 3.3Å; F360-Q362 PolarHBondContact O-N 2.63Å; Q362-E364 VanDerWaalsContact C-N 3.33Å; Q362-E364 PolarHBondContact O-N 3.11Å; Q362-A365 PolarHBondContact O-N 3.49Å; Q362-I366 HydrophobicContact CG-CD1 4.22Å; Q362-I366 WeakPolarHBondContact O-CG1 3.25Å; Q362-I366 PolarHBondContact O-N 3.21Å; Q362-I366 VanDerWaalsContact O-N 3.07Å; Q362-K526 HydrophobicContact CB-CB 4.07Å; Q362-K526 HydrophobicContact CG-CB 4.33Å; Q362-T527 PolarHBondContact NE2-OG1 2.96Å
363	Q	96.5	Very high	94.3	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-42.3	175.3	-65.4	-56.4	-70.4	0	0	111.7	W345 Q359 F360 A365 I366 W367 L440 L441	W345-Q363 HydrophobicContact CD2-CB 3.53Å; W345-Q363 HydrophobicContact CD2-CG 4.38Å; W345-Q363 HydrophobicContact CE3-CB 3.64Å; W345-Q363 HydrophobicContact CE3-CG 3.98Å; W345-Q363 HydrophobicContact CG-CB 4.1Å; W345-Q363 HydrophobicContact CH2-CB 4.03Å; W345-Q363 HydrophobicContact CH2-CG 4.39Å; W345-Q363 HydrophobicContact CZ2-CB 3.91Å; W345-Q363 HydrophobicContact CZ3-CB 3.9Å; W345-Q363 HydrophobicContact CZ3-CG 4Å; Q359-Q363 WeakPolarHBondContact O-CG 3.28Å; Q359-Q363 PolarHBondContact O-N 3.12Å; F360-Q363 PolarHBondContact O-N 3.2Å; Q363-A365 VanDerWaalsContact C-N 3.29Å; Q363-A365 PolarHBondContact O-N 3.16Å; Q363-I366 PolarHBondContact O-N 2.96Å; Q363-W367 VanDerWaalsContact O-CB 3.22Å; Q363-W367 WeakPolarHBondContact O-CB 3.48Å; Q363-W367 PolarHBondContact O-N 3.36Å; Q363-L440 HydrophobicContact CG-CD2 3.51Å; Q363-L441 PolarHBondContact NE2-O 2.97Å
364	E	96.4	Very high	94.7	Very high	75 Å²	75	49.4 Å²	49.4	35%	0.35	24%	0.242	S	C	.	.	H	α-helix	trans	-57.3	-38.6	173.1	-66.8	178	132.9	0	0	113.1	W345 F360 H361 Q362 E368	W345-E364 HydrophobicContact CZ2-CG 4.34Å; F360-E364 HydrophobicContact CD1-CG 4.26Å; F360-E364 HydrophobicContact CE1-CG 4.11Å; F360-E364 WeakPolarHBondContact CE1-OE1 3.14Å; F360-E364 PolarHBondContact O-N 3.2Å; F360-E364 VanDerWaalsContact O-N 3.08Å; H361-E364 WeakPolarHBondContact CA-OE2 3.33Å; H361-E364 IonicContact CD2-OE2 3.35Å; H361-E364 PolarHBondContact CD2-OE2 2.96Å; H361-E364 VanDerWaalsContact CD2-OE2 3.3Å; H361-E364 IonicContact CG-OE2 2.83Å; H361-E364 WeakPolarHBondContact O-CB 3.19Å; H361-E364 PolarHBondContact O-N 3.08Å; Q362-E364 VanDerWaalsContact C-N 3.33Å; Q362-E364 PolarHBondContact O-N 3.11Å; E364-E368 VanDerWaalsContact O-CB 3.26Å; E364-E368 WeakPolarHBondContact O-CB 3.34Å; E364-E368 PolarHBondContact O-N 3.3Å
365	A	97.2	Very high	95	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-73.9	-35.3	-179.7	0	0	0	0	0	113.1	H361 Q362 Q363 L369 I523 K526	H361-A365 PolarHBondContact O-N 3.25Å; H361-A365 VanDerWaalsContact O-N 3.17Å; Q362-A365 PolarHBondContact O-N 3.49Å; Q363-A365 VanDerWaalsContact C-N 3.29Å; Q363-A365 PolarHBondContact O-N 3.16Å; A365-L369 PolarHBondContact O-N 2.88Å; A365-I523 HydrophobicContact CB-CG1 3.74Å; A365-K526 HydrophobicContact CB-CD 3.58Å
366	I	97.6	Very high	95.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71.4	-41.7	174.6	-58.1	166.1	0	0	0	109.2	Q362 Q363 E368 L369 L370 L441 P443 I523	Q362-I366 HydrophobicContact CG-CD1 4.22Å; Q362-I366 WeakPolarHBondContact O-CG1 3.25Å; Q362-I366 PolarHBondContact O-N 3.21Å; Q362-I366 VanDerWaalsContact O-N 3.07Å; Q363-I366 PolarHBondContact O-N 2.96Å; I366-E368 PolarHBondContact O-N 3.25Å; I366-L369 WeakPolarHBondContact O-CB 3.24Å; I366-L369 PolarHBondContact O-N 3.33Å; I366-L370 HydrophobicContact CG2-CD1 4.2Å; I366-L370 VanDerWaalsContact O-CG 3.32Å; I366-L370 WeakPolarHBondContact O-CG 3.42Å; I366-L370 PolarHBondContact O-N 2.82Å; I366-L441 HydrophobicContact CB-CB 4.43Å; I366-L441 HydrophobicContact CD1-CB 4.36Å; I366-L441 WeakPolarHBondContact CD1-O 3.46Å; I366-L441 HydrophobicContact CG2-CB 3.9Å; I366-L441 HydrophobicContact CG2-CD1 4.2Å; I366-P443 HydrophobicContact CD1-CB 3.87Å; I366-P443 HydrophobicContact CD1-CG 4.16Å; I366-P443 HydrophobicContact CG1-CB 4.38Å; I366-I523 HydrophobicContact CG1-CD1 4.01Å; I366-I523 HydrophobicContact CG1-CG1 3.99Å; I366-I523 HydrophobicContact CG1-CG2 4.16Å
367	W	97.1	Very high	95.3	Very high	18 Å²	18	42 Å²	42	7%	0.068	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-39.8	173.8	-164.8	-113.1	0	0	0	112.8	M341 E342 S344 W345 L348 Q363 L369 L370 N371 L431 L441	M341-W367 HydrophobicContact CB-CH2 4.42Å; M341-W367 HydrophobicContact CE-CD2 3.92Å; M341-W367 HydrophobicContact CE-CE3 3.66Å; M341-W367 HydrophobicContact CE-CH2 3.53Å; M341-W367 HydrophobicContact CE-CZ2 3.76Å; M341-W367 HydrophobicContact CE-CZ3 3.46Å; M341-W367 VanDerWaalsContact CE-CZ3 3.46Å; E342-W367 HydrophobicContact CB-CH2 4.24Å; E342-W367 HydrophobicContact CB-CZ2 4.39Å; E342-W367 VanDerWaalsContact O-CZ2 3.3Å; E342-W367 WeakPolarHBondContact O-CZ2 3.32Å; S344-W367 VanDerWaalsContact C-CZ2 3.49Å; W345-W367 HydrophobicContact CB-CB 4.09Å; W345-W367 HydrophobicContact CB-CD2 3.63Å; W345-W367 HydrophobicContact CB-CE3 3.63Å; W345-W367 HydrophobicContact CB-CG 3.86Å; W345-W367 HydrophobicContact CB-CZ3 4.16Å; W345-W367 AromaticContact CD1-CD1 3.98Å; W345-W367 AromaticContact CD1-CG 3.77Å; W345-W367 HydrophobicContact CG-CB 4.22Å; W345-W367 HydrophobicContact CG-CD2 4.47Å; W345-W367 HydrophobicContact CG-CG 4.23Å; W345-W367 VanDerWaalsContact N-CE2 3.28Å; L348-W367 HydrophobicContact CD1-CZ3 4.04Å; Q363-W367 VanDerWaalsContact O-CB 3.22Å; Q363-W367 WeakPolarHBondContact O-CB 3.48Å; Q363-W367 PolarHBondContact O-N 3.36Å; W367-L369 PolarHBondContact O-N 3.02Å; W367-L370 HydrophobicContact CE3-CD1 4.34Å; W367-L370 PolarHBondContact O-N 3Å; W367-N371 WeakPolarHBondContact O-CB 3.35Å; W367-N371 PolarHBondContact O-N 3.44Å; W367-L431 HydrophobicContact CH2-CD1 4.49Å; W367-L431 HydrophobicContact CZ3-CD1 3.82Å; W367-L441 HydrophobicContact CE3-CD1 3.92Å; W367-L441 HydrophobicContact CZ3-CD1 4.45Å
368	E	97.6	Very high	95.3	Very high	94 Å²	94	38 Å²	38	44%	0.439	18%	0.179	S	C	.	.	H	α-helix	trans	-57.4	-48.1	172.9	-173.5	-173.8	179.8	0	0	110.5	E364 I366 T372 L519	E364-E368 VanDerWaalsContact O-CB 3.26Å; E364-E368 WeakPolarHBondContact O-CB 3.34Å; E364-E368 PolarHBondContact O-N 3.3Å; I366-E368 PolarHBondContact O-N 3.25Å; E368-T372 HydrophobicContact CG-CG2 4.29Å; E368-T372 WeakPolarHBondContact O-CB 3.47Å; E368-T372 WeakPolarHBondContact O-CG2 3.48Å; E368-T372 PolarHBondContact O-N 3.06Å; E368-T372 PolarHBondContact O-OG1 2.75Å; E368-L519 HydrophobicContact CB-CD2 4.32Å; E368-L519 HydrophobicContact CG-CD2 3.69Å
369	L	97.5	Very high	95.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.1	-50.8	176.8	173.6	61.1	0	0	0	112	A365 I366 W367 T372 E373 M427 L446 F450 R512 Y516 L519 I523	A365-L369 PolarHBondContact O-N 2.88Å; I366-L369 WeakPolarHBondContact O-CB 3.24Å; I366-L369 PolarHBondContact O-N 3.33Å; W367-L369 PolarHBondContact O-N 3.02Å; L369-T372 PolarHBondContact O-OG1 3.49Å; L369-E373 PolarHBondContact O-N 3.01Å; L369-E373 VanDerWaalsContact O-N 3.12Å; L369-M427 HydrophobicContact CD1-CE 4.12Å; L369-M427 HydrophobicContact CG-CE 4.21Å; L369-L446 HydrophobicContact CD2-CD1 3.93Å; L369-F450 HydrophobicContact CD1-CZ 4.47Å; L369-F450 HydrophobicContact CD2-CE2 4.32Å; L369-F450 HydrophobicContact CD2-CZ 4.23Å; L369-R512 PolarHBondContact O-NH2 3.46Å; L369-Y516 HydrophobicContact CD1-CD1 4.02Å; L369-Y516 HydrophobicContact CD1-CE1 4.15Å; L369-L519 HydrophobicContact CD1-CB 4.22Å; L369-L519 HydrophobicContact CD1-CD1 3.86Å; L369-I523 HydrophobicContact CB-CD1 4.42Å; L369-I523 HydrophobicContact CD2-CD1 3.9Å
370	L	96.6	Very high	95.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-55.3	-178.7	-63.6	171.1	0	0	0	112.1	M341 I366 W367 T372 E373 A374 W423 M427 L441	M341-L370 HydrophobicContact CE-CB 3.77Å; M341-L370 HydrophobicContact SD-CB 4.42Å; I366-L370 HydrophobicContact CG2-CD1 4.2Å; I366-L370 VanDerWaalsContact O-CG 3.32Å; I366-L370 WeakPolarHBondContact O-CG 3.42Å; I366-L370 PolarHBondContact O-N 2.82Å; W367-L370 HydrophobicContact CE3-CD1 4.34Å; W367-L370 PolarHBondContact O-N 3Å; L370-T372 VanDerWaalsContact C-N 3.35Å; L370-T372 PolarHBondContact O-N 2.92Å; L370-E373 WeakPolarHBondContact O-CB 3.43Å; L370-E373 PolarHBondContact O-N 2.97Å; L370-A374 PolarHBondContact O-N 3.02Å; L370-W423 HydrophobicContact CB-CZ3 4.31Å; L370-W423 HydrophobicContact CD2-CZ3 4.38Å; L370-W423 WeakPolarHBondContact O-CZ3 3.09Å; L370-M427 HydrophobicContact CD2-CB 3.54Å; L370-M427 HydrophobicContact CD2-CG 3.79Å; L370-M427 HydrophobicContact CD2-SD 3.9Å; L370-L441 HydrophobicContact CD1-CD1 3.95Å; L370-L441 HydrophobicContact CD1-CD2 4.08Å
371	N	95.3	Very high	95.1	Very high	69 Å²	69	33.6 Å²	33.6	37%	0.369	16%	0.16	S	C	.	.	H	α-helix	trans	-64.1	-39.4	-177.1	-177.8	16.6	0	0	0	111.7	M341 W367 E373 A374 T375	M341-N371 HydrophobicContact CE-CB 4.08Å; M341-N371 HydrophobicContact SD-CB 4.2Å; W367-N371 WeakPolarHBondContact O-CB 3.35Å; W367-N371 PolarHBondContact O-N 3.44Å; N371-E373 VanDerWaalsContact C-N 3.27Å; N371-E373 PolarHBondContact O-N 3.44Å; N371-A374 PolarHBondContact O-N 3.31Å; N371-T375 WeakPolarHBondContact O-CB 3.44Å; N371-T375 PolarHBondContact O-N 3.39Å; N371-T375 PolarHBondContact O-OG1 3.18Å; N371-T375 PolarHBondContact OD1-OG1 3.2Å
372	T	96.5	Very high	94.9	Very high	47 Å²	47	29.8 Å²	29.8	29%	0.288	14%	0.144	S	C	.	.	H	α-helix	trans	-69.7	-23.3	175.2	61	0	0	0	0	112.9	E368 L369 L370 Y376 R512	E368-T372 HydrophobicContact CG-CG2 4.29Å; E368-T372 WeakPolarHBondContact O-CB 3.47Å; E368-T372 WeakPolarHBondContact O-CG2 3.48Å; E368-T372 PolarHBondContact O-N 3.06Å; E368-T372 PolarHBondContact O-OG1 2.75Å; L369-T372 PolarHBondContact O-OG1 3.49Å; L370-T372 VanDerWaalsContact C-N 3.35Å; L370-T372 PolarHBondContact O-N 2.92Å; T372-Y376 WeakPolarHBondContact O-CB 3.37Å; T372-Y376 PolarHBondContact O-N 3.22Å; T372-Y376 VanDerWaalsContact O-N 3.08Å; T372-R512 PolarHBondContact OG1-NH1 3.45Å; T372-R512 PolarHBondContact OG1-NH2 2.94Å
373	E	96.7	Very high	94.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-71.5	-55.2	170.7	-166.6	76.2	-172.8	0	0	110.9	L369 L370 N371 T375 Y376 I377 H419 W423 M427 R512 Y516	L369-E373 PolarHBondContact O-N 3.01Å; L369-E373 VanDerWaalsContact O-N 3.12Å; L370-E373 WeakPolarHBondContact O-CB 3.43Å; L370-E373 PolarHBondContact O-N 2.97Å; N371-E373 VanDerWaalsContact C-N 3.27Å; N371-E373 PolarHBondContact O-N 3.44Å; E373-T375 VanDerWaalsContact C-N 3.28Å; E373-T375 PolarHBondContact O-N 3.34Å; E373-Y376 CarbonylContact O-C 3.48Å; E373-Y376 WeakPolarHBondContact O-CA 3.49Å; E373-Y376 WeakPolarHBondContact O-CB 3.33Å; E373-Y376 PolarHBondContact O-N 2.92Å; E373-I377 HydrophobicContact CG-CD1 4.09Å; E373-I377 WeakPolarHBondContact O-CG1 3.29Å; E373-I377 PolarHBondContact O-N 3.11Å; E373-H419 IonicContact OE1-CE1 3.16Å; E373-H419 IonicContact OE1-CG 2.76Å; E373-H419 IonicContact OE1-ND1 3.48Å; E373-H419 PolarHBondContact OE1-ND1 3.28Å; E373-W423 HydrophobicContact CB-CE3 4.19Å; E373-W423 HydrophobicContact CB-CZ3 4.35Å; E373-W423 HydrophobicContact CG-CE3 4.15Å; E373-M427 HydrophobicContact CB-CE 4.06Å; E373-M427 HydrophobicContact CB-SD 3.53Å; E373-M427 VanDerWaalsContact CB-SD 3.53Å; E373-M427 HydrophobicContact CG-CE 3.88Å; E373-M427 HydrophobicContact CG-SD 3.58Å; E373-M427 VanDerWaalsContact CG-SD 3.58Å; E373-R512 IonicContact OE2-CZ 3.16Å; E373-R512 IonicContact OE2-NE 2.66Å; E373-R512 PolarHBondContact OE2-NE 3.48Å; E373-R512 IonicContact OE2-NH2 3.11Å; E373-R512 PolarHBondContact OE2-NH2 3.14Å; E373-Y516 VanDerWaalsContact CD-OH 3.25Å; E373-Y516 PolarHBondContact OE1-OH 3.39Å; E373-Y516 VanDerWaalsContact OE1-OH 3.06Å; E373-Y516 WeakPolarHBondContact OE2-CE1 3.34Å; E373-Y516 PolarHBondContact OE2-OH 3.37Å
374	A	94.7	Very high	94.3	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-59.2	-39.9	179.6	0	0	0	0	0	112	L339 M341 L370 N371 Y376 K378 W423	L339-A374 HydrophobicContact CD2-CB 4.19Å; M341-A374 HydrophobicContact SD-CB 4.03Å; L370-A374 PolarHBondContact O-N 3.02Å; N371-A374 PolarHBondContact O-N 3.31Å; A374-Y376 VanDerWaalsContact C-N 3.33Å; A374-Y376 PolarHBondContact O-N 2.99Å; A374-K378 VanDerWaalsContact O-CG 3.3Å; A374-K378 WeakPolarHBondContact O-CG 3.4Å; A374-K378 PolarHBondContact O-N 2.94Å; A374-K378 VanDerWaalsContact O-N 3.09Å; A374-W423 HydrophobicContact CB-CE3 4.42Å; A374-W423 HydrophobicContact CB-CH2 3.99Å; A374-W423 HydrophobicContact CB-CZ2 4.27Å; A374-W423 HydrophobicContact CB-CZ3 4.06Å
375	T	93.1	Very high	93.9	Very high	49 Å²	49	28.6 Å²	28.6	30%	0.301	14%	0.141	S	C	.	.	H	α-helix	trans	-65.2	-33.5	173.1	-66.3	0	0	0	0	112.6	N371 E373 K379	N371-T375 WeakPolarHBondContact O-CB 3.44Å; N371-T375 PolarHBondContact O-N 3.39Å; N371-T375 PolarHBondContact O-OG1 3.18Å; N371-T375 PolarHBondContact OD1-OG1 3.2Å; E373-T375 VanDerWaalsContact C-N 3.28Å; E373-T375 PolarHBondContact O-N 3.34Å; T375-K379 HydrophobicContact CG2-CD 4.31Å; T375-K379 WeakPolarHBondContact O-CD 3.41Å; T375-K379 WeakPolarHBondContact O-CG 3.31Å; T375-K379 PolarHBondContact O-N 3.12Å
376	Y	95.5	Very high	93.5	Very high	14 Å²	14	28.7 Å²	28.7	6%	0.055	14%	0.141	C	C	.	.	H	α-helix	trans	-77.1	-39.6	177.9	169.2	-112.8	0	0	0	112.1	T372 E373 A374 K378 K379 L380 H419 Y460 K508 P509 R512	T372-Y376 WeakPolarHBondContact O-CB 3.37Å; T372-Y376 PolarHBondContact O-N 3.22Å; T372-Y376 VanDerWaalsContact O-N 3.08Å; E373-Y376 CarbonylContact O-C 3.48Å; E373-Y376 WeakPolarHBondContact O-CA 3.49Å; E373-Y376 WeakPolarHBondContact O-CB 3.33Å; E373-Y376 PolarHBondContact O-N 2.92Å; A374-Y376 VanDerWaalsContact C-N 3.33Å; A374-Y376 PolarHBondContact O-N 2.99Å; Y376-K378 VanDerWaalsContact C-N 3.31Å; Y376-K378 PolarHBondContact O-N 3.23Å; Y376-K379 CarbonylContact O-C 3.54Å; Y376-K379 WeakPolarHBondContact O-CA 3.46Å; Y376-K379 WeakPolarHBondContact O-CB 3.48Å; Y376-K379 PolarHBondContact O-N 3.39Å; Y376-L380 HydrophobicContact CD1-CD1 4.24Å; Y376-L380 HydrophobicContact CD2-CG 4.38Å; Y376-L380 HydrophobicContact CE1-CD1 3.59Å; Y376-L380 HydrophobicContact CE1-CG 4.09Å; Y376-L380 HydrophobicContact CE2-CD1 4.25Å; Y376-L380 HydrophobicContact CE2-CD2 3.98Å; Y376-L380 HydrophobicContact CE2-CG 3.83Å; Y376-L380 PolarHBondContact O-N 3.13Å; Y376-H419 AromaticContact CE1-CD2 3.52Å; Y376-H419 AromaticContact CE1-CE1 3.78Å; Y376-H419 AromaticContact CE1-CG 3.76Å; Y376-H419 AromaticContact CE1-ND1 3.89Å; Y376-H419 AromaticContact CE1-NE2 3.54Å; Y376-Y460 PolarHBondContact OH-OH 2.92Å; Y376-Y460 VanDerWaalsContact OH-OH 3.11Å; Y376-K508 HydrophobicContact CE2-CB 3.99Å; Y376-P509 WeakPolarHBondContact OH-CA 3.35Å; Y376-R512 HydrophobicContact CD1-CB 4.17Å; Y376-R512 HydrophobicContact CD1-CG 3.63Å; Y376-R512 HydrophobicContact CD2-CB 4.3Å; Y376-R512 HydrophobicContact CE1-CB 3.81Å; Y376-R512 HydrophobicContact CE1-CG 3.56Å; Y376-R512 HydrophobicContact CE2-CB 3.97Å; Y376-R512 HydrophobicContact CE2-CG 4.49Å; Y376-R512 HydrophobicContact CG-CB 4.39Å; Y376-R512 HydrophobicContact CG-CG 4.12Å
377	I	94.3	Very high	93.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.5	-44.9	170.9	-68.5	165.2	0	0	0	110.6	L339 E373 K379 L380 R381 H419 I420 W423	L339-I377 HydrophobicContact CD1-CG2 3.71Å; L339-I377 HydrophobicContact CD2-CB 4.24Å; L339-I377 HydrophobicContact CD2-CD1 3.91Å; L339-I377 HydrophobicContact CD2-CG2 4.02Å; E373-I377 HydrophobicContact CG-CD1 4.09Å; E373-I377 WeakPolarHBondContact O-CG1 3.29Å; E373-I377 PolarHBondContact O-N 3.11Å; I377-K379 VanDerWaalsContact C-N 3.29Å; I377-K379 PolarHBondContact O-N 2.93Å; I377-L380 WeakPolarHBondContact O-CB 3.25Å; I377-L380 PolarHBondContact O-N 3.27Å; I377-R381 PolarHBondContact O-N 2.88Å; I377-H419 HydrophobicContact CD1-CB 4.22Å; I377-H419 WeakPolarHBondContact CD1-O 3.33Å; I377-H419 HydrophobicContact CG1-CB 3.74Å; I377-I420 HydrophobicContact CD1-CG1 4.45Å; I377-I420 HydrophobicContact CG1-CG1 4.49Å; I377-I420 HydrophobicContact CG2-CD1 4.03Å; I377-I420 HydrophobicContact CG2-CG1 3.6Å; I377-W423 HydrophobicContact CD1-CB 3.65Å; I377-W423 HydrophobicContact CD1-CG 4.11Å
378	K	90.6	Very high	93	Very high	95 Å²	95	28.3 Å²	28.3	41%	0.413	14%	0.14	S	C	.	.	H	α-helix	trans	-59.3	-38.4	174.3	-71.2	169.4	-171.1	175.6	0	112.1	L339 A374 Y376 V382	L339-K378 WeakPolarHBondContact O-CE 3.32Å; L339-K378 PolarHBondContact O-NZ 3.36Å; A374-K378 VanDerWaalsContact O-CG 3.3Å; A374-K378 WeakPolarHBondContact O-CG 3.4Å; A374-K378 PolarHBondContact O-N 2.94Å; A374-K378 VanDerWaalsContact O-N 3.09Å; Y376-K378 VanDerWaalsContact C-N 3.31Å; Y376-K378 PolarHBondContact O-N 3.23Å; K378-V382 WeakPolarHBondContact O-CG2 3.45Å; K378-V382 PolarHBondContact O-N 3.16Å
379	K	91.4	Very high	92.6	Very high	88 Å²	88	24.7 Å²	24.7	38%	0.383	13%	0.125	S	C	.	.	H	α-helix	trans	-71	-35.4	175.3	-72.6	164.7	-176.7	171.1	0	113.3	T375 Y376 I377 V382 K508	T375-K379 HydrophobicContact CG2-CD 4.31Å; T375-K379 WeakPolarHBondContact O-CD 3.41Å; T375-K379 WeakPolarHBondContact O-CG 3.31Å; T375-K379 PolarHBondContact O-N 3.12Å; Y376-K379 CarbonylContact O-C 3.54Å; Y376-K379 WeakPolarHBondContact O-CA 3.46Å; Y376-K379 WeakPolarHBondContact O-CB 3.48Å; Y376-K379 PolarHBondContact O-N 3.39Å; I377-K379 VanDerWaalsContact C-N 3.29Å; I377-K379 PolarHBondContact O-N 2.93Å; K379-V382 PolarHBondContact O-N 3.48Å; K379-K508 HydrophobicContact CD-CD 4.5Å
380	L	92.6	Very high	92.2	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-44.3	172.6	-78.1	-179.8	0	0	0	111.6	Y376 I377 V382 I383 T384 I412 I415 V416 H419 P509	Y376-L380 HydrophobicContact CD1-CD1 4.24Å; Y376-L380 HydrophobicContact CD2-CG 4.38Å; Y376-L380 HydrophobicContact CE1-CD1 3.59Å; Y376-L380 HydrophobicContact CE1-CG 4.09Å; Y376-L380 HydrophobicContact CE2-CD1 4.25Å; Y376-L380 HydrophobicContact CE2-CD2 3.98Å; Y376-L380 HydrophobicContact CE2-CG 3.83Å; Y376-L380 PolarHBondContact O-N 3.13Å; I377-L380 WeakPolarHBondContact O-CB 3.25Å; I377-L380 PolarHBondContact O-N 3.27Å; L380-V382 PolarHBondContact O-N 2.85Å; L380-I383 HydrophobicContact CD2-CD1 4.26Å; L380-I383 WeakPolarHBondContact O-CB 3.22Å; L380-I383 PolarHBondContact O-N 2.81Å; L380-T384 PolarHBondContact O-N 3.48Å; L380-I412 HydrophobicContact CD2-CD1 3.72Å; L380-I412 HydrophobicContact CD2-CG1 4.38Å; L380-I415 HydrophobicContact CD1-CG2 4.06Å; L380-I415 HydrophobicContact CD2-CG2 4.34Å; L380-V416 HydrophobicContact CB-CG2 3.88Å; L380-V416 HydrophobicContact CD1-CG2 4.36Å; L380-H419 HydrophobicContact CD1-CB 4.33Å; L380-P509 HydrophobicContact CD2-CG 4.23Å
381	R	88.6	Confident	92.1	Very high	33 Å²	33	24.7 Å²	24.7	13%	0.125	13%	0.125	C	C	.	.	H	α-helix	trans	-58.3	-31.7	175.7	-77.6	-171.3	-176.1	176.4	0.3	112.9	E335 I377 I383 T384 D385 V416	E335-R381 IonicContact OE2-NH2 3.98Å; E335-R381 PolarHBondContact OE2-NH2 2.96Å; I377-R381 PolarHBondContact O-N 2.88Å; R381-I383 VanDerWaalsContact C-N 3.27Å; R381-I383 PolarHBondContact O-N 2.76Å; R381-T384 WeakPolarHBondContact CA-OG1 3.42Å; R381-T384 PolarHBondContact O-N 3.04Å; R381-T384 PolarHBondContact O-OG1 2.75Å; R381-D385 WeakPolarHBondContact CB-OD2 3.4Å; R381-D385 WeakPolarHBondContact O-CA 2.97Å; R381-D385 WeakPolarHBondContact O-CB 3.4Å; R381-D385 PolarHBondContact O-N 2.74Å; R381-V416 HydrophobicContact CG-CG1 4.44Å
382	V	90.3	Very high	91.8	Very high	13 Å²	13	22 Å²	22	8%	0.079	11%	0.111	C	C	.	.	H	α-helix	trans	-61.6	-35.7	172	-174.9	0	0	0	0	112	K378 K379 L380 L386 F387 Q496 M505	K378-V382 WeakPolarHBondContact O-CG2 3.45Å; K378-V382 PolarHBondContact O-N 3.16Å; K379-V382 PolarHBondContact O-N 3.48Å; L380-V382 PolarHBondContact O-N 2.85Å; V382-L386 HydrophobicContact CG1-CB 4.38Å; V382-L386 HydrophobicContact CG1-CD2 4.06Å; V382-L386 WeakPolarHBondContact O-CB 3.43Å; V382-L386 PolarHBondContact O-N 2.88Å; V382-F387 HydrophobicContact CG1-CD2 4.46Å; V382-F387 HydrophobicContact CG1-CE2 4.21Å; V382-Q496 HydrophobicContact CG1-CB 4.32Å; V382-Q496 HydrophobicContact CG2-CB 3.91Å; V382-M505 HydrophobicContact CB-SD 4.42Å; V382-M505 HydrophobicContact CG1-CE 4.17Å; V382-M505 HydrophobicContact CG1-SD 4.08Å
383	I	92.2	Very high	91.5	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	10%	0.098	C	C	.	.	I	π-helix	trans	-67.4	-46.9	178.7	-49.4	175.4	0	0	0	110.4	L380 R381 F387 Q388 F409 I412 L502 M505 L506	L380-I383 HydrophobicContact CD2-CD1 4.26Å; L380-I383 WeakPolarHBondContact O-CB 3.22Å; L380-I383 PolarHBondContact O-N 2.81Å; R381-I383 VanDerWaalsContact C-N 3.27Å; R381-I383 PolarHBondContact O-N 2.76Å; I383-F387 WeakPolarHBondContact O-CB 3.33Å; I383-F387 PolarHBondContact O-N 2.91Å; I383-Q388 PolarHBondContact O-N 3.25Å; I383-F409 HydrophobicContact CG2-CD1 3.75Å; I383-F409 HydrophobicContact CG2-CE1 3.93Å; I383-I412 HydrophobicContact CD1-CD1 4.16Å; I383-I412 HydrophobicContact CD1-CG1 4.26Å; I383-I412 HydrophobicContact CG2-CG1 4.29Å; I383-L502 HydrophobicContact CG2-CD1 4.49Å; I383-M505 HydrophobicContact CD1-CB 3.87Å; I383-M505 HydrophobicContact CG1-CB 3.87Å; I383-M505 HydrophobicContact CG1-SD 4.24Å; I383-L506 HydrophobicContact CG2-CD2 4.05Å
384	T	89.5	Confident	91.2	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.018	10%	0.098	C	C	.	.	I	π-helix	trans	-70	-53.9	178.4	47.9	0	0	0	0	111.5	L380 R381 L386 Q388 C389 I412 Q413 V416	L380-T384 PolarHBondContact O-N 3.48Å; R381-T384 WeakPolarHBondContact CA-OG1 3.42Å; R381-T384 PolarHBondContact O-N 3.04Å; R381-T384 PolarHBondContact O-OG1 2.75Å; T384-L386 PolarHBondContact O-N 3.33Å; T384-Q388 WeakPolarHBondContact O-CB 3.36Å; T384-Q388 PolarHBondContact O-N 3.13Å; T384-C389 WeakPolarHBondContact O-CB 3.47Å; T384-C389 PolarHBondContact O-N 2.81Å; T384-C389 PolarHBondContact O-SG 2.9Å; T384-I412 HydrophobicContact CG2-CG2 4.43Å; T384-Q413 HydrophobicContact CG2-CG 4.18Å; T384-V416 HydrophobicContact CG2-CG2 3.83Å
385	D	86.8	Confident	91.1	Very high	72 Å²	72	21.8 Å²	21.8	39%	0.385	11%	0.106	S	C	.	.	I	π-helix	trans	-82.3	-25.1	-159.9	-50.8	-6.6	0	0	0	112.4	L317 R381 C389	L317-D385 VanDerWaalsContact CD1-O 3.28Å; L317-D385 WeakPolarHBondContact CD1-O 3.43Å; R381-D385 WeakPolarHBondContact CB-OD2 3.4Å; R381-D385 WeakPolarHBondContact O-CA 2.97Å; R381-D385 WeakPolarHBondContact O-CB 3.4Å; R381-D385 PolarHBondContact O-N 2.74Å; D385-C389 WeakPolarHBondContact O-CB 3.31Å
386	L	89.2	Confident	90.9	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	12%	0.121	C	C	.	.	I	π-helix	trans	-103.2	-52.9	175.5	176	67.9	0	0	0	112.6	L317 V382 T384 G390 Y487 W490 A491 H494 C497	L317-L386 HydrophobicContact CD1-CD1 3.96Å; V382-L386 HydrophobicContact CG1-CB 4.38Å; V382-L386 HydrophobicContact CG1-CD2 4.06Å; V382-L386 WeakPolarHBondContact O-CB 3.43Å; V382-L386 PolarHBondContact O-N 2.88Å; T384-L386 PolarHBondContact O-N 3.33Å; L386-G390 WeakPolarHBondContact O-CA 3.32Å; L386-G390 PolarHBondContact O-N 3.38Å; L386-Y487 PolarHBondContact O-OH 3.33Å; L386-W490 HydrophobicContact CD1-CH2 4.31Å; L386-W490 HydrophobicContact CD1-CZ3 4.16Å; L386-A491 HydrophobicContact CD2-CB 4.4Å; L386-A491 HydrophobicContact CG-CB 4.29Å; L386-H494 HydrophobicContact CD1-CB 4.28Å; L386-H494 HydrophobicContact CD2-CB 3.59Å; L386-C497 WeakPolarHBondContact CD2-SG 3.39Å
387	F	92.9	Very high	90.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	I	π-helix	trans	-84.8	-38.9	-172.1	-69.3	-89.7	0	0	0	113.6	V382 I383 L391 F409 Y487 V488 A491 E492 L502 M505	V382-F387 HydrophobicContact CG1-CD2 4.46Å; V382-F387 HydrophobicContact CG1-CE2 4.21Å; I383-F387 WeakPolarHBondContact O-CB 3.33Å; I383-F387 PolarHBondContact O-N 2.91Å; F387-L391 WeakPolarHBondContact O-CB 3.36Å; F387-L391 PolarHBondContact O-N 2.88Å; F387-F409 HydrophobicContact CB-CE1 3.83Å; F387-F409 HydrophobicContact CB-CZ 3.86Å; F387-F409 WeakPolarHBondContact O-CZ 3.46Å; F387-Y487 WeakPolarHBondContact CA-OH 3.31Å; F387-Y487 PolarHBondContact O-OH 3.39Å; F387-V488 HydrophobicContact CE1-CG1 4.5Å; F387-A491 HydrophobicContact CD1-CB 3.68Å; F387-A491 HydrophobicContact CE1-CB 3.33Å; F387-A491 HydrophobicContact CG-CB 4.45Å; F387-A491 HydrophobicContact CZ-CB 3.84Å; F387-E492 HydrophobicContact CE1-CG 4.3Å; F387-E492 HydrophobicContact CZ-CG 4.14Å; F387-L502 HydrophobicContact CB-CD1 4.2Å; F387-L502 HydrophobicContact CD1-CB 4.29Å; F387-L502 HydrophobicContact CD1-CD1 3.94Å; F387-L502 HydrophobicContact CD1-CD2 3.96Å; F387-L502 HydrophobicContact CD1-CG 4.28Å; F387-L502 HydrophobicContact CD2-CD1 4.2Å; F387-L502 HydrophobicContact CE1-CB 3.91Å; F387-L502 HydrophobicContact CE1-CD1 4.3Å; F387-L502 HydrophobicContact CE1-CD2 4.35Å; F387-L502 HydrophobicContact CE1-CG 4.41Å; F387-L502 HydrophobicContact CG-CD1 3.88Å; F387-L502 HydrophobicContact CZ-CB 4.27Å; F387-M505 HydrophobicContact CD2-SD 4.46Å; F387-M505 HydrophobicContact CE2-CE 3.9Å; F387-M505 HydrophobicContact CE2-SD 3.87Å; F387-M505 HydrophobicContact CZ-CE 4.37Å
388	Q	91	Very high	90.3	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.047	15%	0.151	C	C	.	.	I	π-helix	trans	-83.1	-51.5	179.5	-162.5	173.3	33.7	0	0	111.4	I383 T384 G390 L391 L392 F409 Q413	I383-Q388 PolarHBondContact O-N 3.25Å; T384-Q388 WeakPolarHBondContact O-CB 3.36Å; T384-Q388 PolarHBondContact O-N 3.13Å; Q388-G390 VanDerWaalsContact C-N 3.35Å; Q388-G390 PolarHBondContact O-N 2.92Å; Q388-L391 PolarHBondContact O-N 3.18Å; Q388-L392 HydrophobicContact CG-CD1 4.17Å; Q388-L392 VanDerWaalsContact O-CD1 3.31Å; Q388-L392 WeakPolarHBondContact O-CD1 3.4Å; Q388-L392 WeakPolarHBondContact O-CG 3.14Å; Q388-L392 PolarHBondContact O-N 2.81Å; Q388-L392 VanDerWaalsContact O-N 3.13Å; Q388-F409 HydrophobicContact CB-CD2 4.12Å; Q388-F409 HydrophobicContact CB-CE1 4.45Å; Q388-F409 HydrophobicContact CB-CE2 3.96Å; Q388-F409 HydrophobicContact CB-CG 4.44Å; Q388-F409 HydrophobicContact CB-CZ 4.15Å; Q388-F409 HydrophobicContact CG-CD2 3.71Å; Q388-F409 HydrophobicContact CG-CE2 3.9Å; Q388-F409 HydrophobicContact CG-CG 4.24Å; Q388-Q413 VanDerWaalsContact CD-NE2 3.28Å
389	C	89.1	Confident	90.3	Very high	17 Å²	17	24.9 Å²	24.9	12%	0.115	13%	0.134	C	C	.	.	H	α-helix	trans	-60.8	-40.8	176.2	-68.5	0	0	0	0	112.3	V320 T384 D385 L392 N393	V320-C389 HydrophobicContact CG2-CB 3.51Å; V320-C389 VanDerWaalsContact CG2-SG 3.6Å; T384-C389 WeakPolarHBondContact O-CB 3.47Å; T384-C389 PolarHBondContact O-N 2.81Å; T384-C389 PolarHBondContact O-SG 2.9Å; D385-C389 WeakPolarHBondContact O-CB 3.31Å; C389-L392 PolarHBondContact O-N 2.96Å; C389-N393 WeakPolarHBondContact O-CB 3.45Å; C389-N393 VanDerWaalsContact O-CG 3.23Å; C389-N393 PolarHBondContact O-N 3.31Å; C389-N393 PolarHBondContact O-ND2 3.49Å
390	G	90.4	Very high	90.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.5	-43.3	175.9	0	0	0	0	0	113.1	L386 Q388 L394 Y487	L386-G390 WeakPolarHBondContact O-CA 3.32Å; L386-G390 PolarHBondContact O-N 3.38Å; Q388-G390 VanDerWaalsContact C-N 3.35Å; Q388-G390 PolarHBondContact O-N 2.92Å; G390-L394 VanDerWaalsContact O-CG 3.32Å; G390-L394 WeakPolarHBondContact O-CG 3.36Å; G390-L394 PolarHBondContact O-N 3.28Å; G390-Y487 WeakPolarHBondContact CA-OH 3.42Å
391	L	92.8	Very high	90.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-46.5	174.8	175.9	62.4	0	0	0	111.6	F387 Q388 N393 L394 Q395 L400 V403 P405 L408 F409 Y487	F387-L391 WeakPolarHBondContact O-CB 3.36Å; F387-L391 PolarHBondContact O-N 2.88Å; Q388-L391 PolarHBondContact O-N 3.18Å; L391-N393 PolarHBondContact O-N 3.46Å; L391-L394 WeakPolarHBondContact O-CB 3.44Å; L391-L394 PolarHBondContact O-N 3.49Å; L391-L394 VanDerWaalsContact O-N 3.12Å; L391-Q395 HydrophobicContact CD1-CG 4.38Å; L391-Q395 WeakPolarHBondContact O-CG 3.44Å; L391-Q395 PolarHBondContact O-N 3.3Å; L391-L400 HydrophobicContact CD1-CB 3.65Å; L391-L400 HydrophobicContact CD1-CD1 3.68Å; L391-L400 HydrophobicContact CD1-CG 4.32Å; L391-V403 HydrophobicContact CD1-CB 4.16Å; L391-V403 HydrophobicContact CD1-CG1 4.14Å; L391-V403 HydrophobicContact CD2-CB 4.43Å; L391-V403 HydrophobicContact CD2-CG1 3.74Å; L391-P405 HydrophobicContact CD2-CB 4.26Å; L391-P405 HydrophobicContact CD2-CG 3.99Å; L391-L408 HydrophobicContact CD2-CD2 4.08Å; L391-F409 HydrophobicContact CD2-CE2 4.04Å; L391-Y487 HydrophobicContact CB-CE1 3.97Å; L391-Y487 PolarHBondContact N-OH 3.46Å; L391-Y487 VanDerWaalsContact N-OH 3.09Å
392	L	90.5	Very high	90.6	Very high	14 Å²	14	28.3 Å²	28.3	7%	0.073	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-39.2	-176.8	-67.5	157.3	0	0	0	112.5	F326 Q388 C389 L394 Q395 E396 P405	F326-L392 HydrophobicContact CE2-CD1 3.37Å; F326-L392 HydrophobicContact CZ-CD1 3.35Å; Q388-L392 HydrophobicContact CG-CD1 4.17Å; Q388-L392 VanDerWaalsContact O-CD1 3.31Å; Q388-L392 WeakPolarHBondContact O-CD1 3.4Å; Q388-L392 WeakPolarHBondContact O-CG 3.14Å; Q388-L392 PolarHBondContact O-N 2.81Å; Q388-L392 VanDerWaalsContact O-N 3.13Å; C389-L392 PolarHBondContact O-N 2.96Å; L392-L394 PolarHBondContact O-N 2.98Å; L392-Q395 PolarHBondContact O-N 3.15Å; L392-Q395 VanDerWaalsContact O-N 3.11Å; L392-E396 PolarHBondContact O-N 3.45Å; L392-P405 HydrophobicContact CD2-CG 4.15Å
393	N	89.2	Confident	90.8	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.011	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-29	173.7	-70.4	-28.2	0	0	0	112.4	Y312 P318 C389 L391 S397	Y312-N393 PolarHBondContact OH-O 2.97Å; P318-N393 HydrophobicContact CG-CB 4.11Å; P318-N393 PolarHBondContact O-ND2 3.39Å; C389-N393 WeakPolarHBondContact O-CB 3.45Å; C389-N393 VanDerWaalsContact O-CG 3.23Å; C389-N393 PolarHBondContact O-N 3.31Å; C389-N393 PolarHBondContact O-ND2 3.49Å; L391-N393 PolarHBondContact O-N 3.46Å; N393-S397 PolarHBondContact O-OG 3.17Å
394	L	91.5	Very high	90.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-75.4	-37.5	171.1	-66.3	166.4	0	0	0	111.5	L305 K308 L309 Y312 G390 L391 L392 S397 G398 L399 L400 Y487	L305-L394 HydrophobicContact CD1-CD1 3.8Å; L305-L394 HydrophobicContact CD1-CD2 3.66Å; L305-L394 HydrophobicContact CD1-CG 4.3Å; K308-L394 HydrophobicContact CB-CD2 3.89Å; L309-L394 HydrophobicContact CD2-CD1 3.98Å; L309-L394 HydrophobicContact CD2-CD2 4.31Å; Y312-L394 HydrophobicContact CE2-CD2 3.74Å; Y312-L394 HydrophobicContact CE2-CG 4.01Å; G390-L394 VanDerWaalsContact O-CG 3.32Å; G390-L394 WeakPolarHBondContact O-CG 3.36Å; G390-L394 PolarHBondContact O-N 3.28Å; L391-L394 WeakPolarHBondContact O-CB 3.44Å; L391-L394 PolarHBondContact O-N 3.49Å; L391-L394 VanDerWaalsContact O-N 3.12Å; L392-L394 PolarHBondContact O-N 2.98Å; L394-S397 CarbonylContact O-C 3.53Å; L394-S397 VanDerWaalsContact O-CA 3.29Å; L394-S397 WeakPolarHBondContact O-CA 3.29Å; L394-S397 VanDerWaalsContact O-CB 3.24Å; L394-S397 WeakPolarHBondContact O-CB 3.45Å; L394-S397 PolarHBondContact O-N 3.39Å; L394-G398 PolarHBondContact O-N 3.43Å; L394-L399 CarbonylContact C-O 3.44Å; L394-L399 VanDerWaalsContact C-O 3.27Å; L394-L399 HydrophobicContact CB-CB 4.24Å; L394-L399 HydrophobicContact CD2-CD1 4.16Å; L394-L399 WeakPolarHBondContact O-CB 3.44Å; L394-L399 PolarHBondContact O-N 2.91Å; L394-L400 HydrophobicContact CB-CD1 4.46Å; L394-L400 HydrophobicContact CD1-CD1 3.79Å; L394-Y487 HydrophobicContact CD1-CD2 3.55Å; L394-Y487 HydrophobicContact CD1-CE2 3.82Å; L394-Y487 HydrophobicContact CD1-CG 3.98Å
395	Q	92.1	Very high	91	Very high	41 Å²	41	32.5 Å²	32.5	19%	0.192	18%	0.183	C	C	.	.	H	α-helix	trans	-66.7	-38.2	176.5	-71	-179.9	-22.7	0	0	113	L391 L392 S397 G398 L399 L400 T401 V403	L391-Q395 HydrophobicContact CD1-CG 4.38Å; L391-Q395 WeakPolarHBondContact O-CG 3.44Å; L391-Q395 PolarHBondContact O-N 3.3Å; L392-Q395 PolarHBondContact O-N 3.15Å; L392-Q395 VanDerWaalsContact O-N 3.11Å; Q395-S397 PolarHBondContact O-N 3.37Å; Q395-G398 PolarHBondContact O-N 2.86Å; Q395-L399 VanDerWaalsContact CA-O 3.23Å; Q395-L399 WeakPolarHBondContact CA-O 3.44Å; Q395-L399 WeakPolarHBondContact CG-O 3.24Å; Q395-L399 PolarHBondContact N-O 3.26Å; Q395-L400 PolarHBondContact NE2-O 3.44Å; Q395-T401 HydrophobicContact CB-CG2 4.49Å; Q395-V403 PolarHBondContact NE2-O 2.96Å
396	E	87.9	Confident	91.2	Very high	132 Å²	132	33.6 Å²	33.6	62%	0.617	19%	0.193	S	C	*	.	H	α-helix	trans	-60.6	-29.4	168.4	-174.5	175.7	-143.6	0	0	111.8	P321 L392 G398	P321-E396 WeakPolarHBondContact CG-OE1 3.4Å; P321-E396 VanDerWaalsContact CG-OE2 3.29Å; P321-E396 WeakPolarHBondContact CG-OE2 3.5Å; L392-E396 PolarHBondContact O-N 3.45Å; E396-G398 VanDerWaalsContact C-N 3.28Å; E396-G398 PolarHBondContact O-N 3Å
397	S	87.9	Confident	91.4	Very high	42 Å²	42	38.4 Å²	38.4	29%	0.294	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	3.4	173.5	-51.3	0	0	0	0	113.9	K308 N393 L394 Q395	K308-S397 WeakPolarHBondContact CE-OG 3.46Å; K308-S397 PolarHBondContact NZ-OG 3.22Å; N393-S397 PolarHBondContact O-OG 3.17Å; L394-S397 CarbonylContact O-C 3.53Å; L394-S397 VanDerWaalsContact O-CA 3.29Å; L394-S397 WeakPolarHBondContact O-CA 3.29Å; L394-S397 VanDerWaalsContact O-CB 3.24Å; L394-S397 WeakPolarHBondContact O-CB 3.45Å; L394-S397 PolarHBondContact O-N 3.39Å; Q395-S397 PolarHBondContact O-N 3.37Å
398	G	89.3	Confident	91.5	Very high	38 Å²	38	38.4 Å²	38.4	39%	0.392	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	14.6	-178.7	0	0	0	0	0	115.4	L394 Q395 E396	L394-G398 PolarHBondContact O-N 3.43Å; Q395-G398 PolarHBondContact O-N 2.86Å; E396-G398 VanDerWaalsContact C-N 3.28Å; E396-G398 PolarHBondContact O-N 3Å
399	L	91.8	Very high	91.7	Very high	12 Å²	12	38 Å²	38	6%	0.063	21%	0.212	C	C	.	.	S	Bend	trans	-108.4	146.9	-179.7	-59.9	170.7	0	0	0	110.6	Q304 L305 K308 L394 Q395 T401	Q304-L399 HydrophobicContact CB-CD2 4.37Å; L305-L399 HydrophobicContact CB-CD1 4.19Å; L305-L399 HydrophobicContact CD1-CD1 4.25Å; K308-L399 HydrophobicContact CG-CD1 4.15Å; L394-L399 CarbonylContact C-O 3.44Å; L394-L399 VanDerWaalsContact C-O 3.27Å; L394-L399 HydrophobicContact CB-CB 4.24Å; L394-L399 HydrophobicContact CD2-CD1 4.16Å; L394-L399 WeakPolarHBondContact O-CB 3.44Å; L394-L399 PolarHBondContact O-N 2.91Å; Q395-L399 VanDerWaalsContact CA-O 3.23Å; Q395-L399 WeakPolarHBondContact CA-O 3.44Å; Q395-L399 WeakPolarHBondContact CG-O 3.24Å; Q395-L399 PolarHBondContact N-O 3.26Å; L399-T401 PolarHBondContact O-N 3.43Å; L399-T401 VanDerWaalsContact O-N 3.13Å
400	L	93.4	Very high	91.9	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.047	21%	0.213	C	C	.	.	S	Bend	trans	56.3	24.1	179.5	-50.7	178.1	0	0	0	114.7	L305 L391 L394 Q395 D402 V403 P483 F484 Y487	L305-L400 HydrophobicContact CD2-CD2 4.45Å; L391-L400 HydrophobicContact CD1-CB 3.65Å; L391-L400 HydrophobicContact CD1-CD1 3.68Å; L391-L400 HydrophobicContact CD1-CG 4.32Å; L394-L400 HydrophobicContact CB-CD1 4.46Å; L394-L400 HydrophobicContact CD1-CD1 3.79Å; Q395-L400 PolarHBondContact NE2-O 3.44Å; L400-D402 VanDerWaalsContact C-OD1 3.3Å; L400-D402 WeakPolarHBondContact CA-OD1 3.48Å; L400-D402 PolarHBondContact O-N 2.97Å; L400-D402 VanDerWaalsContact O-N 3.11Å; L400-V403 HydrophobicContact CB-CG2 4.14Å; L400-V403 WeakPolarHBondContact O-CB 3.29Å; L400-V403 PolarHBondContact O-N 3.43Å; L400-P483 HydrophobicContact CD2-CB 3.65Å; L400-F484 HydrophobicContact CD2-CB 4.24Å; L400-Y487 HydrophobicContact CD1-CD1 3.86Å; L400-Y487 HydrophobicContact CD1-CG 3.86Å
401	T	92.5	Very high	92.1	Very high	88 Å²	88	39 Å²	39	54%	0.54	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-9.9	-178	56.8	0	0	0	0	114.1	Q395 L399	Q395-T401 HydrophobicContact CB-CG2 4.49Å; L399-T401 PolarHBondContact O-N 3.43Å; L399-T401 VanDerWaalsContact O-N 3.13Å
402	D	92.2	Very high	92.1	Very high	96 Å²	96	39 Å²	39	51%	0.513	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-11.2	174.9	57.7	-55.8	0	0	0	113.5	L400 Y473 N481	L400-D402 VanDerWaalsContact C-OD1 3.3Å; L400-D402 WeakPolarHBondContact CA-OD1 3.48Å; L400-D402 PolarHBondContact O-N 2.97Å; L400-D402 VanDerWaalsContact O-N 3.11Å; D402-Y473 PolarHBondContact O-OH 3.47Å; D402-N481 PolarHBondContact OD2-ND2 2.93Å
403	V	95.1	Very high	92.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.221	C	C	.	.	S	Bend	trans	-88.7	112.6	175.2	179.3	0	0	0	0	109.3	L391 Q395 L400 P405 L408 L477 F484	L391-V403 HydrophobicContact CD1-CB 4.16Å; L391-V403 HydrophobicContact CD1-CG1 4.14Å; L391-V403 HydrophobicContact CD2-CB 4.43Å; L391-V403 HydrophobicContact CD2-CG1 3.74Å; Q395-V403 PolarHBondContact NE2-O 2.96Å; L400-V403 HydrophobicContact CB-CG2 4.14Å; L400-V403 WeakPolarHBondContact O-CB 3.29Å; L400-V403 PolarHBondContact O-N 3.43Å; V403-P405 VanDerWaalsContact O-CD 3.25Å; V403-P405 WeakPolarHBondContact O-CD 3.42Å; V403-L408 HydrophobicContact CG1-CD2 3.78Å; V403-L477 HydrophobicContact CG1-CD1 3.82Å; V403-L477 HydrophobicContact CG2-CD1 4.29Å; V403-L477 HydrophobicContact CG2-CD2 4.29Å; V403-F484 HydrophobicContact CB-CD2 4.48Å; V403-F484 HydrophobicContact CG1-CD2 3.98Å; V403-F484 HydrophobicContact CG1-CE2 3.86Å; V403-F484 HydrophobicContact CG2-CB 4.19Å; V403-F484 HydrophobicContact CG2-CD2 3.74Å; V403-F484 HydrophobicContact CG2-CE2 4.46Å; V403-F484 HydrophobicContact CG2-CG 4.15Å
404	E	94.4	Very high	92.4	Very high	78 Å²	78	43.3 Å²	43.3	36%	0.364	24%	0.237	S	C	.	.			trans	-85.6	110.2	-175.7	-167.8	178.5	138.8	0	0	111	T406 K407 L408 Y473	E404-T406 VanDerWaalsContact C-N 3.3Å; E404-T406 WeakPolarHBondContact CG-OG1 3.27Å; E404-T406 PolarHBondContact O-N 3.44Å; E404-T406 PolarHBondContact OE1-OG1 3.35Å; E404-K407 HydrophobicContact CB-CB 4.33Å; E404-K407 HydrophobicContact CB-CD 4.27Å; E404-K407 HydrophobicContact CB-CG 4.47Å; E404-K407 VanDerWaalsContact CD-CE 3.46Å; E404-K407 VanDerWaalsContact CD-NZ 3.3Å; E404-K407 HydrophobicContact CG-CD 4.3Å; E404-K407 HydrophobicContact CG-CG 4.32Å; E404-K407 PolarHBondContact O-N 3.02Å; E404-K407 VanDerWaalsContact O-N 3.08Å; E404-K407 WeakPolarHBondContact OE1-CD 3.48Å; E404-K407 WeakPolarHBondContact OE1-CE 3.29Å; E404-K407 IonicContact OE1-NZ 3.53Å; E404-K407 PolarHBondContact OE1-NZ 2.75Å; E404-K407 WeakPolarHBondContact OE2-CD 3.23Å; E404-K407 WeakPolarHBondContact OE2-CE 3.5Å; E404-K407 IonicContact OE2-NZ 3.42Å; E404-K407 PolarHBondContact OE2-NZ 2.82Å; E404-L408 PolarHBondContact O-N 2.85Å; E404-L408 VanDerWaalsContact O-N 3.11Å; E404-Y473 HydrophobicContact CB-CE1 4.42Å; E404-Y473 PolarHBondContact N-OH 3.38Å
405	P	91.9	Very high	92.6	Very high	27 Å²	27	43.3 Å²	43.3	18%	0.175	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-31.5	-169.1	-22.2	34.7	0	0	0	113.4	L391 L392 V403 K407 L408 F409	L391-P405 HydrophobicContact CD2-CB 4.26Å; L391-P405 HydrophobicContact CD2-CG 3.99Å; L392-P405 HydrophobicContact CD2-CG 4.15Å; V403-P405 VanDerWaalsContact O-CD 3.25Å; V403-P405 WeakPolarHBondContact O-CD 3.42Å; P405-K407 VanDerWaalsContact C-N 3.33Å; P405-K407 PolarHBondContact O-N 3.43Å; P405-L408 PolarHBondContact O-N 3.12Å; P405-F409 HydrophobicContact CB-CD2 4.31Å; P405-F409 WeakPolarHBondContact O-CB 3.42Å; P405-F409 WeakPolarHBondContact O-CD2 3.31Å; P405-F409 PolarHBondContact O-N 3.41Å
406	T	90.7	Very high	92.6	Very high	95 Å²	95	41.6 Å²	41.6	58%	0.583	23%	0.23	S	C	*	.	H	α-helix	trans	-63.3	-36.2	175	41.7	0	0	0	0	112.3	E404 S410	E404-T406 VanDerWaalsContact C-N 3.3Å; E404-T406 WeakPolarHBondContact CG-OG1 3.27Å; E404-T406 PolarHBondContact O-N 3.44Å; E404-T406 PolarHBondContact OE1-OG1 3.35Å; T406-S410 VanDerWaalsContact O-CA 3.22Å; T406-S410 WeakPolarHBondContact O-CA 3.44Å; T406-S410 PolarHBondContact O-N 2.94Å
407	K	93.8	Very high	92.8	Very high	104 Å²	104	40.1 Å²	40.1	45%	0.452	22%	0.218	S	C	.	.	H	α-helix	trans	-80.7	-24.2	175.9	-70.1	176.8	-177.4	150.5	0	113.4	E404 P405 C470 Y473	E404-K407 HydrophobicContact CB-CB 4.33Å; E404-K407 HydrophobicContact CB-CD 4.27Å; E404-K407 HydrophobicContact CB-CG 4.47Å; E404-K407 VanDerWaalsContact CD-CE 3.46Å; E404-K407 VanDerWaalsContact CD-NZ 3.3Å; E404-K407 HydrophobicContact CG-CD 4.3Å; E404-K407 HydrophobicContact CG-CG 4.32Å; E404-K407 PolarHBondContact O-N 3.02Å; E404-K407 VanDerWaalsContact O-N 3.08Å; E404-K407 WeakPolarHBondContact OE1-CD 3.48Å; E404-K407 WeakPolarHBondContact OE1-CE 3.29Å; E404-K407 IonicContact OE1-NZ 3.53Å; E404-K407 PolarHBondContact OE1-NZ 2.75Å; E404-K407 WeakPolarHBondContact OE2-CD 3.23Å; E404-K407 WeakPolarHBondContact OE2-CE 3.5Å; E404-K407 IonicContact OE2-NZ 3.42Å; E404-K407 PolarHBondContact OE2-NZ 2.82Å; P405-K407 VanDerWaalsContact C-N 3.33Å; P405-K407 PolarHBondContact O-N 3.43Å; K407-C470 WeakPolarHBondContact O-CA 3.41Å; K407-C470 PolarHBondContact O-SG 3.44Å; K407-Y473 HydrophobicContact CB-CD1 3.48Å; K407-Y473 VanDerWaalsContact CB-CD1 3.48Å; K407-Y473 HydrophobicContact CB-CE1 3.6Å; K407-Y473 HydrophobicContact CB-CG 4.09Å
408	L	94.9	Very high	93.1	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-86.9	-23.6	178.6	-179.5	60	0	0	0	113.8	L391 V403 E404 P405 C470 Y473 M474 F484	L391-L408 HydrophobicContact CD2-CD2 4.08Å; V403-L408 HydrophobicContact CG1-CD2 3.78Å; E404-L408 PolarHBondContact O-N 2.85Å; E404-L408 VanDerWaalsContact O-N 3.11Å; P405-L408 PolarHBondContact O-N 3.12Å; L408-C470 VanDerWaalsContact C-SG 3.5Å; L408-C470 PolarHBondContact O-SG 3.27Å; L408-Y473 HydrophobicContact CB-CD1 4.41Å; L408-Y473 HydrophobicContact CB-CE1 4.32Å; L408-M474 HydrophobicContact CD1-CB 3.77Å; L408-M474 HydrophobicContact CD1-CG 3.84Å; L408-F484 HydrophobicContact CD1-CZ 3.88Å; L408-F484 HydrophobicContact CD2-CE2 3.48Å; L408-F484 VanDerWaalsContact CD2-CE2 3.48Å; L408-F484 HydrophobicContact CD2-CZ 3.52Å; L408-F484 HydrophobicContact CG-CZ 4.38Å
409	F	93.6	Very high	93.4	Very high	1 Å²	1	37 Å²	37	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-127	-5.9	-174.6	-61.7	-71.5	0	0	0	114.3	I383 F387 Q388 L391 P405 I412 L502 L506	I383-F409 HydrophobicContact CG2-CD1 3.75Å; I383-F409 HydrophobicContact CG2-CE1 3.93Å; F387-F409 HydrophobicContact CB-CE1 3.83Å; F387-F409 HydrophobicContact CB-CZ 3.86Å; F387-F409 WeakPolarHBondContact O-CZ 3.46Å; Q388-F409 HydrophobicContact CB-CD2 4.12Å; Q388-F409 HydrophobicContact CB-CE1 4.45Å; Q388-F409 HydrophobicContact CB-CE2 3.96Å; Q388-F409 HydrophobicContact CB-CG 4.44Å; Q388-F409 HydrophobicContact CB-CZ 4.15Å; Q388-F409 HydrophobicContact CG-CD2 3.71Å; Q388-F409 HydrophobicContact CG-CE2 3.9Å; Q388-F409 HydrophobicContact CG-CG 4.24Å; L391-F409 HydrophobicContact CD2-CE2 4.04Å; P405-F409 HydrophobicContact CB-CD2 4.31Å; P405-F409 WeakPolarHBondContact O-CB 3.42Å; P405-F409 WeakPolarHBondContact O-CD2 3.31Å; P405-F409 PolarHBondContact O-N 3.41Å; F409-I412 HydrophobicContact CB-CG2 3.85Å; F409-I412 VanDerWaalsContact O-CB 3.28Å; F409-I412 WeakPolarHBondContact O-CB 3.45Å; F409-I412 WeakPolarHBondContact O-CG2 3.37Å; F409-I412 PolarHBondContact O-N 3.26Å; F409-I412 VanDerWaalsContact O-N 3.17Å; F409-L502 HydrophobicContact CE1-CD1 4.16Å; F409-L506 HydrophobicContact CD1-CD2 4.26Å
410	S	94.2	Very high	93.5	Very high	20 Å²	20	36.7 Å²	36.7	14%	0.14	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	-143.4	-174.1	-170.1	0	0	0	0	111.1	T406 I412 H462	T406-S410 VanDerWaalsContact O-CA 3.22Å; T406-S410 WeakPolarHBondContact O-CA 3.44Å; T406-S410 PolarHBondContact O-N 2.94Å; S410-I412 VanDerWaalsContact C-N 3.31Å; S410-I412 PolarHBondContact O-N 3.47Å; S410-H462 PolarHBondContact OG-CE1 3.36Å; S410-H462 PolarHBondContact OG-ND1 3.04Å
411	N	94.4	Very high	93.5	Very high	17 Å²	17	38 Å²	38	9%	0.091	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	32.2	174.8	70.6	-42.1	0	0	0	113.7	Q413 E414 I415 P459 H462 Y463	N411-Q413 PolarHBondContact O-N 3.23Å; N411-E414 HydrophobicContact CB-CB 4.38Å; N411-E414 HydrophobicContact CB-CG 4Å; N411-E414 WeakPolarHBondContact CB-OE2 3.21Å; N411-E414 PolarHBondContact ND2-OE2 3.18Å; N411-E414 WeakPolarHBondContact O-CB 3.3Å; N411-E414 PolarHBondContact O-N 3.12Å; N411-I415 PolarHBondContact O-N 3.47Å; N411-P459 PolarHBondContact ND2-O 3.41Å; N411-H462 PolarHBondContact OD1-ND1 3.48Å; N411-Y463 VanDerWaalsContact OD1-CA 3.28Å; N411-Y463 WeakPolarHBondContact OD1-CA 3.37Å; N411-Y463 WeakPolarHBondContact OD1-CB 3.31Å; N411-Y463 PolarHBondContact OD1-N 3.37Å
412	I	93.8	Very high	93.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-51.6	-32.4	-177.5	-166.2	65.5	0	0	0	113.6	L380 I383 T384 F409 S410 E414 I415 V416 Y463 P509	L380-I412 HydrophobicContact CD2-CD1 3.72Å; L380-I412 HydrophobicContact CD2-CG1 4.38Å; I383-I412 HydrophobicContact CD1-CD1 4.16Å; I383-I412 HydrophobicContact CD1-CG1 4.26Å; I383-I412 HydrophobicContact CG2-CG1 4.29Å; T384-I412 HydrophobicContact CG2-CG2 4.43Å; F409-I412 HydrophobicContact CB-CG2 3.85Å; F409-I412 VanDerWaalsContact O-CB 3.28Å; F409-I412 WeakPolarHBondContact O-CB 3.45Å; F409-I412 WeakPolarHBondContact O-CG2 3.37Å; F409-I412 PolarHBondContact O-N 3.26Å; F409-I412 VanDerWaalsContact O-N 3.17Å; S410-I412 VanDerWaalsContact C-N 3.31Å; S410-I412 PolarHBondContact O-N 3.47Å; I412-E414 VanDerWaalsContact C-N 3.29Å; I412-E414 PolarHBondContact O-N 3.03Å; I412-I415 HydrophobicContact CD1-CB 4.36Å; I412-I415 CarbonylContact O-C 3.59Å; I412-I415 WeakPolarHBondContact O-CA 3.32Å; I412-I415 VanDerWaalsContact O-CB 3.31Å; I412-I415 WeakPolarHBondContact O-CB 3.44Å; I412-I415 PolarHBondContact O-N 3.16Å; I412-I415 VanDerWaalsContact O-N 3.14Å; I412-V416 HydrophobicContact CG1-CG2 4.5Å; I412-V416 WeakPolarHBondContact O-CG2 3.48Å; I412-V416 PolarHBondContact O-N 3.36Å; I412-Y463 HydrophobicContact CB-CE2 4.12Å; I412-Y463 HydrophobicContact CD1-CD2 4.5Å; I412-Y463 HydrophobicContact CD1-CE2 3.7Å; I412-P509 HydrophobicContact CD1-CG 3.71Å
413	Q	90.6	Very high	93.7	Very high	31 Å²	31	29.4 Å²	29.4	15%	0.145	15%	0.148	C	C	.	.	H	α-helix	trans	-63.8	-32.3	177.3	-61.9	179	2.5	0	0	113.2	F326 T384 Q388 N411 V416 R417	F326-Q413 VanDerWaalsContact CE1-NE2 3.29Å; F326-Q413 VanDerWaalsContact CG-CD 3.46Å; T384-Q413 HydrophobicContact CG2-CG 4.18Å; Q388-Q413 VanDerWaalsContact CD-NE2 3.28Å; N411-Q413 PolarHBondContact O-N 3.23Å; Q413-V416 PolarHBondContact O-N 3.38Å; Q413-R417 WeakPolarHBondContact O-CB 3.33Å; Q413-R417 WeakPolarHBondContact O-CG 3.43Å; Q413-R417 PolarHBondContact O-N 3.25Å; Q413-R417 PolarHBondContact O-NE 3.04Å
414	E	93.6	Very high	93.6	Very high	77 Å²	77	31.8 Å²	31.8	36%	0.36	16%	0.161	S	C	.	.	H	α-helix	trans	-70.8	-38.4	174.5	-54.3	-170	147.6	0	0	110.5	N411 I412 R417 L418 P459	N411-E414 HydrophobicContact CB-CB 4.38Å; N411-E414 HydrophobicContact CB-CG 4Å; N411-E414 WeakPolarHBondContact CB-OE2 3.21Å; N411-E414 PolarHBondContact ND2-OE2 3.18Å; N411-E414 WeakPolarHBondContact O-CB 3.3Å; N411-E414 PolarHBondContact O-N 3.12Å; I412-E414 VanDerWaalsContact C-N 3.29Å; I412-E414 PolarHBondContact O-N 3.03Å; E414-R417 PolarHBondContact O-N 3.45Å; E414-L418 WeakPolarHBondContact O-CB 3.45Å; E414-L418 PolarHBondContact O-N 2.73Å; E414-P459 HydrophobicContact CB-CB 3.85Å; E414-P459 HydrophobicContact CB-CG 4.2Å
415	I	95.9	Very high	93.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-46.3	171.1	-52.6	-62.6	0	0	0	110	L380 N411 I412 R417 L418 H419 P459 Y460 Y463 P509	L380-I415 HydrophobicContact CD1-CG2 4.06Å; L380-I415 HydrophobicContact CD2-CG2 4.34Å; N411-I415 PolarHBondContact O-N 3.47Å; I412-I415 HydrophobicContact CD1-CB 4.36Å; I412-I415 CarbonylContact O-C 3.59Å; I412-I415 WeakPolarHBondContact O-CA 3.32Å; I412-I415 VanDerWaalsContact O-CB 3.31Å; I412-I415 WeakPolarHBondContact O-CB 3.44Å; I412-I415 PolarHBondContact O-N 3.16Å; I412-I415 VanDerWaalsContact O-N 3.14Å; I415-R417 PolarHBondContact O-N 2.97Å; I415-L418 WeakPolarHBondContact O-CB 3.48Å; I415-L418 PolarHBondContact O-N 2.89Å; I415-H419 PolarHBondContact O-CD2 2.98Å; I415-H419 PolarHBondContact O-N 2.93Å; I415-P459 HydrophobicContact CD1-CB 4.05Å; I415-Y460 HydrophobicContact CD1-CD1 4.18Å; I415-Y460 HydrophobicContact CD1-CD2 3.78Å; I415-Y460 HydrophobicContact CD1-CE1 4.23Å; I415-Y460 HydrophobicContact CD1-CE2 3.85Å; I415-Y460 HydrophobicContact CD1-CG 3.96Å; I415-Y460 HydrophobicContact CG2-CE2 4.17Å; I415-Y463 HydrophobicContact CD1-CG 4.38Å; I415-Y463 HydrophobicContact CG1-CD2 3.97Å; I415-Y463 HydrophobicContact CG1-CG 4.15Å; I415-P509 HydrophobicContact CG2-CB 4.19Å; I415-P509 HydrophobicContact CG2-CG 4.32Å
416	V	93.3	Very high	93.7	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.03	16%	0.163	C	C	.	.	H	α-helix	trans	-58.9	-48.9	176	-173.1	0	0	0	0	111.1	L380 R381 T384 I412 Q413 L418 H419 I420	L380-V416 HydrophobicContact CB-CG2 3.88Å; L380-V416 HydrophobicContact CD1-CG2 4.36Å; R381-V416 HydrophobicContact CG-CG1 4.44Å; T384-V416 HydrophobicContact CG2-CG2 3.83Å; I412-V416 HydrophobicContact CG1-CG2 4.5Å; I412-V416 WeakPolarHBondContact O-CG2 3.48Å; I412-V416 PolarHBondContact O-N 3.36Å; Q413-V416 PolarHBondContact O-N 3.38Å; V416-L418 PolarHBondContact O-N 3.17Å; V416-H419 PolarHBondContact O-N 3.38Å; V416-I420 HydrophobicContact CG1-CD1 3.75Å; V416-I420 WeakPolarHBondContact O-CB 3.42Å; V416-I420 WeakPolarHBondContact O-CG1 3.35Å; V416-I420 PolarHBondContact O-N 3.36Å
417	R	92.3	Very high	93.9	Very high	101 Å²	101	28.1 Å²	28.1	38%	0.381	14%	0.135	S	C	.	.	H	α-helix	trans	-62.8	-38.2	178.1	-75.8	179.5	-94.2	116.4	-6.9	112.9	W331 Q413 E414 I415 S421	W331-R417 HydrophobicContact CH2-CG 4.48Å; Q413-R417 WeakPolarHBondContact O-CB 3.33Å; Q413-R417 WeakPolarHBondContact O-CG 3.43Å; Q413-R417 PolarHBondContact O-N 3.25Å; Q413-R417 PolarHBondContact O-NE 3.04Å; E414-R417 PolarHBondContact O-N 3.45Å; I415-R417 PolarHBondContact O-N 2.97Å; R417-S421 VanDerWaalsContact O-CB 3.26Å; R417-S421 WeakPolarHBondContact O-CB 3.36Å; R417-S421 PolarHBondContact O-N 2.84Å
418	L	94.8	Very high	93.9	Very high	14 Å²	14	23.5 Å²	23.5	7%	0.073	12%	0.116	C	C	.	.	H	α-helix	trans	-59.8	-52.6	174.6	175.8	-179.7	0	0	0	111.1	E414 I415 V416 I420 S421 L422 R456 F457 P459 Y460	E414-L418 WeakPolarHBondContact O-CB 3.45Å; E414-L418 PolarHBondContact O-N 2.73Å; I415-L418 WeakPolarHBondContact O-CB 3.48Å; I415-L418 PolarHBondContact O-N 2.89Å; V416-L418 PolarHBondContact O-N 3.17Å; L418-I420 PolarHBondContact O-N 3.36Å; L418-S421 WeakPolarHBondContact O-CB 3.44Å; L418-S421 PolarHBondContact O-N 3.25Å; L418-L422 PolarHBondContact O-N 3.28Å; L418-R456 WeakPolarHBondContact CG-O 3.35Å; L418-F457 HydrophobicContact CD1-CD1 4.29Å; L418-F457 HydrophobicContact CD1-CG 4.3Å; L418-F457 HydrophobicContact CD2-CD1 4.24Å; L418-F457 HydrophobicContact CD2-CD2 4.13Å; L418-F457 HydrophobicContact CD2-CE1 3.93Å; L418-F457 HydrophobicContact CD2-CE2 3.8Å; L418-F457 HydrophobicContact CD2-CG 4.33Å; L418-F457 HydrophobicContact CD2-CZ 3.69Å; L418-P459 HydrophobicContact CD1-CB 4.34Å; L418-P459 HydrophobicContact CD1-CG 4.32Å; L418-Y460 HydrophobicContact CD1-CD2 3.68Å; L418-Y460 HydrophobicContact CD1-CE2 3.73Å
419	H	95.5	Very high	93.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-69.9	-34.7	-176.2	-73.7	-69.8	0	0	0	112.6	E373 Y376 I377 L380 I415 V416 L422 W423 F457 Y460 Y516	E373-H419 IonicContact OE1-CE1 3.16Å; E373-H419 IonicContact OE1-CG 2.76Å; E373-H419 IonicContact OE1-ND1 3.48Å; E373-H419 PolarHBondContact OE1-ND1 3.28Å; Y376-H419 AromaticContact CE1-CD2 3.52Å; Y376-H419 AromaticContact CE1-CE1 3.78Å; Y376-H419 AromaticContact CE1-CG 3.76Å; Y376-H419 AromaticContact CE1-ND1 3.89Å; Y376-H419 AromaticContact CE1-NE2 3.54Å; I377-H419 HydrophobicContact CD1-CB 4.22Å; I377-H419 WeakPolarHBondContact CD1-O 3.33Å; I377-H419 HydrophobicContact CG1-CB 3.74Å; L380-H419 HydrophobicContact CD1-CB 4.33Å; I415-H419 PolarHBondContact O-CD2 2.98Å; I415-H419 PolarHBondContact O-N 2.93Å; V416-H419 PolarHBondContact O-N 3.38Å; H419-L422 PolarHBondContact O-N 3.5Å; H419-W423 WeakPolarHBondContact O-CB 3.28Å; H419-W423 PolarHBondContact O-N 3.37Å; H419-F457 AromaticContact CE1-CE1 3.69Å; H419-F457 AromaticContact CE1-CZ 3.85Å; H419-Y460 AromaticContact NE2-CE2 3.32Å; H419-Y460 VanDerWaalsContact NE2-CE2 3.32Å; H419-Y460 WeakPolarHBondContact NE2-CE2 3.43Å; H419-Y460 AromaticContact NE2-CZ 3.41Å; H419-Y460 PolarHBondContact NE2-OH 3.16Å; H419-Y516 PolarHBondContact CE1-OH 2.88Å; H419-Y516 PolarHBondContact ND1-OH 3.25Å
420	I	93.1	Very high	94	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-67.4	-38.6	172.8	-69.6	175.2	0	0	0	111.2	W331 E335 I377 V416 L418 W423 N424	W331-I420 HydrophobicContact CH2-CG2 4.37Å; W331-I420 HydrophobicContact CZ3-CD1 3.82Å; W331-I420 HydrophobicContact CZ3-CG2 4.2Å; E335-I420 WeakPolarHBondContact OE1-CG2 3.35Å; E335-I420 VanDerWaalsContact OE2-CG2 3.31Å; E335-I420 WeakPolarHBondContact OE2-CG2 3.43Å; I377-I420 HydrophobicContact CD1-CG1 4.45Å; I377-I420 HydrophobicContact CG1-CG1 4.49Å; I377-I420 HydrophobicContact CG2-CD1 4.03Å; I377-I420 HydrophobicContact CG2-CG1 3.6Å; V416-I420 HydrophobicContact CG1-CD1 3.75Å; V416-I420 WeakPolarHBondContact O-CB 3.42Å; V416-I420 WeakPolarHBondContact O-CG1 3.35Å; V416-I420 PolarHBondContact O-N 3.36Å; L418-I420 PolarHBondContact O-N 3.36Å; I420-W423 PolarHBondContact O-N 3.45Å; I420-N424 WeakPolarHBondContact O-CB 3.28Å; I420-N424 PolarHBondContact O-N 3.12Å
421	S	92.9	Very high	94	Very high	37 Å²	37	25.7 Å²	25.7	26%	0.259	13%	0.129	S	C	.	.	H	α-helix	trans	-61.9	-45.6	171.1	178.8	0	0	0	0	112.1	R417 L418 W423 Q425 R456	R417-S421 VanDerWaalsContact O-CB 3.26Å; R417-S421 WeakPolarHBondContact O-CB 3.36Å; R417-S421 PolarHBondContact O-N 2.84Å; L418-S421 WeakPolarHBondContact O-CB 3.44Å; L418-S421 PolarHBondContact O-N 3.25Å; S421-W423 VanDerWaalsContact C-N 3.32Å; S421-W423 PolarHBondContact O-N 2.95Å; S421-Q425 WeakPolarHBondContact O-CB 3.23Å; S421-Q425 VanDerWaalsContact O-CG 3.29Å; S421-Q425 WeakPolarHBondContact O-CG 3.35Å; S421-Q425 PolarHBondContact O-N 3.46Å; S421-Q425 PolarHBondContact OG-NE2 3.16Å; S421-R456 PolarHBondContact OG-NH1 3.26Å
422	L	94.5	Very high	93.9	Very high	2 Å²	2	29 Å²	29	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-39.7	174.9	-178.9	63.2	0	0	0	112	L418 H419 V426 M427 F457	L418-L422 PolarHBondContact O-N 3.28Å; H419-L422 PolarHBondContact O-N 3.5Å; L422-V426 HydrophobicContact CD1-CB 4.21Å; L422-V426 HydrophobicContact CD1-CG2 3.93Å; L422-V426 VanDerWaalsContact O-CB 3.29Å; L422-V426 WeakPolarHBondContact O-CB 3.44Å; L422-V426 PolarHBondContact O-N 3.34Å; L422-M427 HydrophobicContact CD2-CE 4.03Å; L422-M427 HydrophobicContact CG-CE 4.21Å; L422-M427 PolarHBondContact O-N 3.46Å; L422-F457 HydrophobicContact CD2-CE2 3.96Å; L422-F457 HydrophobicContact CD2-CZ 3.81Å
423	W	95.3	Very high	94	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	17%	0.167	C	C	.	.	I	π-helix	trans	-64.5	-59.5	175.7	-175.9	-101.5	0	0	0	111.6	N338 L339 M341 L370 E373 A374 I377 H419 I420 S421 Q425 M427 L428 L431	N338-W423 PolarHBondContact O-NE1 2.99Å; L339-W423 HydrophobicContact CD2-CD2 4.12Å; L339-W423 HydrophobicContact CD2-CG 3.94Å; M341-W423 HydrophobicContact CG-CH2 4.06Å; M341-W423 HydrophobicContact CG-CZ2 4.26Å; M341-W423 HydrophobicContact SD-CH2 3.59Å; M341-W423 VanDerWaalsContact SD-CH2 3.59Å; M341-W423 HydrophobicContact SD-CZ2 4.34Å; M341-W423 HydrophobicContact SD-CZ3 4.4Å; L370-W423 HydrophobicContact CB-CZ3 4.31Å; L370-W423 HydrophobicContact CD2-CZ3 4.38Å; L370-W423 WeakPolarHBondContact O-CZ3 3.09Å; E373-W423 HydrophobicContact CB-CE3 4.19Å; E373-W423 HydrophobicContact CB-CZ3 4.35Å; E373-W423 HydrophobicContact CG-CE3 4.15Å; A374-W423 HydrophobicContact CB-CE3 4.42Å; A374-W423 HydrophobicContact CB-CH2 3.99Å; A374-W423 HydrophobicContact CB-CZ2 4.27Å; A374-W423 HydrophobicContact CB-CZ3 4.06Å; I377-W423 HydrophobicContact CD1-CB 3.65Å; I377-W423 HydrophobicContact CD1-CG 4.11Å; H419-W423 WeakPolarHBondContact O-CB 3.28Å; H419-W423 PolarHBondContact O-N 3.37Å; I420-W423 PolarHBondContact O-N 3.45Å; S421-W423 VanDerWaalsContact C-N 3.32Å; S421-W423 PolarHBondContact O-N 2.95Å; W423-Q425 PolarHBondContact O-N 3.29Å; W423-M427 HydrophobicContact CD2-CB 4.16Å; W423-M427 HydrophobicContact CE3-CB 3.49Å; W423-M427 VanDerWaalsContact CE3-CB 3.49Å; W423-M427 HydrophobicContact CE3-CG 4.2Å; W423-M427 HydrophobicContact CE3-SD 3.85Å; W423-M427 HydrophobicContact CZ3-CB 3.69Å; W423-M427 HydrophobicContact CZ3-CG 4.47Å; W423-M427 HydrophobicContact CZ3-SD 4Å; W423-M427 PolarHBondContact O-N 3.12Å; W423-M427 VanDerWaalsContact O-N 3.16Å; W423-L428 WeakPolarHBondContact O-CB 3Å; W423-L428 PolarHBondContact O-N 3.25Å; W423-L431 HydrophobicContact CH2-CD2 4.48Å
424	N	93.3	Very high	94.1	Very high	51 Å²	51	33.3 Å²	33.3	27%	0.273	16%	0.162	S	C	.	.	I	π-helix	trans	-66.2	-33.2	-173.7	-69.3	-17.7	0	0	0	113.3	E335 I420 P429	E335-N424 PolarHBondContact OE1-ND2 3.29Å; I420-N424 WeakPolarHBondContact O-CB 3.28Å; I420-N424 PolarHBondContact O-N 3.12Å; N424-P429 VanDerWaalsContact O-CD 3.3Å; N424-P429 WeakPolarHBondContact O-CD 3.28Å
425	Q	92.9	Very high	94.1	Very high	111 Å²	111	33.1 Å²	33.1	52%	0.519	16%	0.158	S	C	.	.	I	π-helix	trans	-94.4	-15.3	-175.9	-59.7	-178.2	-0.2	0	0	114.4	S421 W423 R456	S421-Q425 WeakPolarHBondContact O-CB 3.23Å; S421-Q425 VanDerWaalsContact O-CG 3.29Å; S421-Q425 WeakPolarHBondContact O-CG 3.35Å; S421-Q425 PolarHBondContact O-N 3.46Å; S421-Q425 PolarHBondContact OG-NE2 3.16Å; W423-Q425 PolarHBondContact O-N 3.29Å; Q425-R456 VanDerWaalsContact OE1-CZ 3.3Å
426	V	94.4	Very high	94	Very high	11 Å²	11	40.4 Å²	40.4	7%	0.067	19%	0.192	C	C	.	.	I	π-helix	trans	-132.4	-64.3	-174.2	-168.5	0	0	0	0	111.3	L422 P429 V430 L446	L422-V426 HydrophobicContact CD1-CB 4.21Å; L422-V426 HydrophobicContact CD1-CG2 3.93Å; L422-V426 VanDerWaalsContact O-CB 3.29Å; L422-V426 WeakPolarHBondContact O-CB 3.44Å; L422-V426 PolarHBondContact O-N 3.34Å; V426-P429 WeakPolarHBondContact O-CD 3.46Å; V426-V430 WeakPolarHBondContact O-CG2 3.16Å; V426-V430 PolarHBondContact O-N 3.5Å; V426-L446 HydrophobicContact CG1-CD2 4.23Å
427	M	95.3	Very high	94	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.218	C	C	.	.	I	π-helix	trans	-69.4	-41.3	-170.3	-64.7	-162.1	-174.2	0	0	113.3	L369 L370 E373 L422 W423 V430 L431 F450	L369-M427 HydrophobicContact CD1-CE 4.12Å; L369-M427 HydrophobicContact CG-CE 4.21Å; L370-M427 HydrophobicContact CD2-CB 3.54Å; L370-M427 HydrophobicContact CD2-CG 3.79Å; L370-M427 HydrophobicContact CD2-SD 3.9Å; E373-M427 HydrophobicContact CB-CE 4.06Å; E373-M427 HydrophobicContact CB-SD 3.53Å; E373-M427 VanDerWaalsContact CB-SD 3.53Å; E373-M427 HydrophobicContact CG-CE 3.88Å; E373-M427 HydrophobicContact CG-SD 3.58Å; E373-M427 VanDerWaalsContact CG-SD 3.58Å; L422-M427 HydrophobicContact CD2-CE 4.03Å; L422-M427 HydrophobicContact CG-CE 4.21Å; L422-M427 PolarHBondContact O-N 3.46Å; W423-M427 HydrophobicContact CD2-CB 4.16Å; W423-M427 HydrophobicContact CE3-CB 3.49Å; W423-M427 VanDerWaalsContact CE3-CB 3.49Å; W423-M427 HydrophobicContact CE3-CG 4.2Å; W423-M427 HydrophobicContact CE3-SD 3.85Å; W423-M427 HydrophobicContact CZ3-CB 3.69Å; W423-M427 HydrophobicContact CZ3-CG 4.47Å; W423-M427 HydrophobicContact CZ3-SD 4Å; W423-M427 PolarHBondContact O-N 3.12Å; W423-M427 VanDerWaalsContact O-N 3.16Å; M427-V430 PolarHBondContact O-N 3.32Å; M427-L431 WeakPolarHBondContact O-CB 3.37Å; M427-L431 PolarHBondContact O-N 3.41Å; M427-F450 HydrophobicContact CE-CZ 4.38Å
428	L	94.4	Very high	94.1	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-69	-42.2	178.2	179.8	64	0	0	0	112.7	N338 W423 V430 L431 K432	N338-L428 HydrophobicContact CB-CD2 3.83Å; W423-L428 WeakPolarHBondContact O-CB 3Å; W423-L428 PolarHBondContact O-N 3.25Å; L428-V430 PolarHBondContact O-N 3.15Å; L428-L431 PolarHBondContact O-N 3Å; L428-K432 HydrophobicContact CD1-CD 4.49Å; L428-K432 HydrophobicContact CD1-CG 4.26Å; L428-K432 HydrophobicContact CG-CD 4.28Å; L428-K432 HydrophobicContact CG-CG 4.46Å; L428-K432 WeakPolarHBondContact O-CB 3.33Å; L428-K432 WeakPolarHBondContact O-CG 3.38Å; L428-K432 PolarHBondContact O-N 3.37Å
429	P	94.6	Very high	94	Very high	60 Å²	60	44.5 Å²	44.5	39%	0.39	23%	0.229	S	C	.	.	H	α-helix	trans	-55.1	-43.1	168.3	-31.5	36.6	0	0	0	114.4	N424 V426 K432 K433	N424-P429 VanDerWaalsContact O-CD 3.3Å; N424-P429 WeakPolarHBondContact O-CD 3.28Å; V426-P429 WeakPolarHBondContact O-CD 3.46Å; P429-K432 PolarHBondContact O-N 2.94Å; P429-K433 WeakPolarHBondContact O-CB 3.31Å; P429-K433 PolarHBondContact O-N 3Å
430	V	94.6	Very high	93.9	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-43.8	176.3	174.6	0	0	0	0	111.4	V426 M427 L428 K433 A434 L441 H445 L446	V426-V430 WeakPolarHBondContact O-CG2 3.16Å; V426-V430 PolarHBondContact O-N 3.5Å; M427-V430 PolarHBondContact O-N 3.32Å; L428-V430 PolarHBondContact O-N 3.15Å; V430-K433 PolarHBondContact O-N 3.42Å; V430-A434 PolarHBondContact O-N 3.49Å; V430-A434 VanDerWaalsContact O-N 3.13Å; V430-L441 HydrophobicContact CG1-CD2 4.09Å; V430-H445 HydrophobicContact CG1-CB 4.41Å; V430-H445 HydrophobicContact CG2-CB 3.52Å; V430-L446 HydrophobicContact CB-CD2 4.49Å; V430-L446 HydrophobicContact CG2-CD2 4.01Å
431	L	94.4	Very high	94	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.4	-40.8	177.2	-176.7	56.2	0	0	0	112.5	M341 L348 W367 W423 M427 L428 A434 R435 L441	M341-L431 HydrophobicContact CE-CD2 4.4Å; M341-L431 HydrophobicContact CG-CD2 4.02Å; L348-L431 HydrophobicContact CD1-CD1 4Å; L348-L431 HydrophobicContact CD2-CD1 3.98Å; W367-L431 HydrophobicContact CH2-CD1 4.49Å; W367-L431 HydrophobicContact CZ3-CD1 3.82Å; W423-L431 HydrophobicContact CH2-CD2 4.48Å; M427-L431 WeakPolarHBondContact O-CB 3.37Å; M427-L431 PolarHBondContact O-N 3.41Å; L428-L431 PolarHBondContact O-N 3Å; L431-A434 PolarHBondContact O-N 3.2Å; L431-R435 VanDerWaalsContact O-CG 3.28Å; L431-R435 WeakPolarHBondContact O-CG 3.26Å; L431-R435 PolarHBondContact O-N 3.43Å; L431-L441 HydrophobicContact CD1-CD2 4.37Å
432	K	93.7	Very high	94.1	Very high	88 Å²	88	48 Å²	48	38%	0.383	24%	0.244	S	C	.	.	H	α-helix	trans	-61.4	-47.9	174.7	-77.9	-179.6	178.3	180	0	111.6	L428 P429 A434 R435 E436	L428-K432 HydrophobicContact CD1-CD 4.49Å; L428-K432 HydrophobicContact CD1-CG 4.26Å; L428-K432 HydrophobicContact CG-CD 4.28Å; L428-K432 HydrophobicContact CG-CG 4.46Å; L428-K432 WeakPolarHBondContact O-CB 3.33Å; L428-K432 WeakPolarHBondContact O-CG 3.38Å; L428-K432 PolarHBondContact O-N 3.37Å; P429-K432 PolarHBondContact O-N 2.94Å; K432-A434 VanDerWaalsContact C-N 3.29Å; K432-A434 PolarHBondContact O-N 3.39Å; K432-R435 WeakPolarHBondContact O-CB 3.22Å; K432-R435 PolarHBondContact O-N 2.91Å; K432-R435 VanDerWaalsContact O-N 3.15Å; K432-E436 WeakPolarHBondContact O-CB 3.35Å; K432-E436 VanDerWaalsContact O-CG 3.28Å; K432-E436 WeakPolarHBondContact O-CG 3.44Å; K432-E436 PolarHBondContact O-N 2.99Å
433	K	93.9	Very high	94.1	Very high	115 Å²	115	48.1 Å²	48.1	50%	0.5	25%	0.245	S	C	.	.	H	α-helix	trans	-58.4	-39.2	176.8	-171.7	175	-178.1	179.5	0	112.5	P429 V430 A437 H445	P429-K433 WeakPolarHBondContact O-CB 3.31Å; P429-K433 PolarHBondContact O-N 3Å; V430-K433 PolarHBondContact O-N 3.42Å; K433-A437 VanDerWaalsContact O-CB 3.28Å; K433-A437 WeakPolarHBondContact O-CB 3.3Å; K433-A437 PolarHBondContact O-N 2.96Å; K433-A437 VanDerWaalsContact O-N 3.13Å; K433-H445 PolarHBondContact NZ-NE2 2.85Å
434	A	93.8	Very high	94.1	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-68.8	-43.3	175	0	0	0	0	0	112.9	L348 V430 L431 K432 R438 A439 L441	L348-A434 HydrophobicContact CD1-CB 4.3Å; V430-A434 PolarHBondContact O-N 3.49Å; V430-A434 VanDerWaalsContact O-N 3.13Å; L431-A434 PolarHBondContact O-N 3.2Å; K432-A434 VanDerWaalsContact C-N 3.29Å; K432-A434 PolarHBondContact O-N 3.39Å; A434-R438 WeakPolarHBondContact O-CA 3.47Å; A434-R438 PolarHBondContact O-N 3.45Å; A434-R438 VanDerWaalsContact O-N 3.09Å; A434-A439 PolarHBondContact O-N 2.92Å; A434-L441 HydrophobicContact CB-CD2 3.61Å; A434-L441 HydrophobicContact CB-CG 4.19Å
435	R	93.6	Very high	94.2	Very high	73 Å²	73	50.8 Å²	50.8	28%	0.275	26%	0.258	S	S	.	.	H	α-helix	trans	-58.5	-49.8	174.4	-73.5	168.7	172.2	167.2	-0.6	111.8	V340 E342 L348 L431 K432 R438	V340-R435 PolarHBondContact O-NH2 3.01Å; E342-R435 VanDerWaalsContact CD-NH2 3.3Å; E342-R435 IonicContact OE1-CZ 3.76Å; E342-R435 IonicContact OE1-NE 3.54Å; E342-R435 PolarHBondContact OE1-NE 3.3Å; E342-R435 IonicContact OE1-NH2 2.97Å; E342-R435 PolarHBondContact OE1-NH2 3.4Å; E342-R435 IonicContact OE2-CZ 3.96Å; E342-R435 IonicContact OE2-NE 3.72Å; E342-R435 PolarHBondContact OE2-NE 3.2Å; E342-R435 IonicContact OE2-NH2 2.76Å; E342-R435 PolarHBondContact OE2-NH2 3.19Å; L348-R435 HydrophobicContact CD2-CG 3.5Å; L431-R435 VanDerWaalsContact O-CG 3.28Å; L431-R435 WeakPolarHBondContact O-CG 3.26Å; L431-R435 PolarHBondContact O-N 3.43Å; K432-R435 WeakPolarHBondContact O-CB 3.22Å; K432-R435 PolarHBondContact O-N 2.91Å; K432-R435 VanDerWaalsContact O-N 3.15Å; R435-R438 PolarHBondContact O-N 3.37Å
436	E	93.9	Very high	94.3	Very high	154 Å²	154	45.6 Å²	45.6	72%	0.72	23%	0.234	S	C	*	.	H	α-helix	trans	-66.2	-38.3	-176.8	-72	161.2	-158.4	0	0	112.5	K432	K432-E436 WeakPolarHBondContact O-CB 3.35Å; K432-E436 VanDerWaalsContact O-CG 3.28Å; K432-E436 WeakPolarHBondContact O-CG 3.44Å; K432-E436 PolarHBondContact O-N 2.99Å
437	A	93.8	Very high	94.3	Very high	69 Å²	69	47.2 Å²	47.2	57%	0.57	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	0.8	179.7	0	0	0	0	0	114.5	K433 A439	K433-A437 VanDerWaalsContact O-CB 3.28Å; K433-A437 WeakPolarHBondContact O-CB 3.3Å; K433-A437 PolarHBondContact O-N 2.96Å; K433-A437 VanDerWaalsContact O-N 3.13Å; A437-A439 HydrophobicContact CB-CB 3.77Å; A437-A439 PolarHBondContact O-N 3.43Å
438	R	93.3	Very high	94	Very high	101 Å²	101	52.5 Å²	52.5	38%	0.381	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	36.7	-170.1	-59	-66.9	-69.7	149.5	-2.6	113.2	T347 L348 L349 D350 A434 R435	T347-R438 PolarHBondContact O-NH1 3.39Å; L348-R438 CarbonylContact O-C 3.52Å; L348-R438 VanDerWaalsContact O-C 3.28Å; L348-R438 VanDerWaalsContact O-CA 3.23Å; L348-R438 WeakPolarHBondContact O-CA 3.29Å; L348-R438 PolarHBondContact O-NH1 2.94Å; L349-R438 WeakPolarHBondContact CD2-O 3.37Å; L349-R438 PolarHBondContact O-NH2 3.06Å; D350-R438 IonicContact OD1-CZ 2.67Å; D350-R438 IonicContact OD1-NE 3.01Å; D350-R438 PolarHBondContact OD1-NE 2.79Å; D350-R438 IonicContact OD1-NH2 2.99Å; D350-R438 PolarHBondContact OD1-NH2 2.95Å; D350-R438 WeakPolarHBondContact OD2-CB 3.48Å; D350-R438 IonicContact OD2-NE 3.9Å; D350-R438 PolarHBondContact OD2-NE 3.41Å; A434-R438 WeakPolarHBondContact O-CA 3.47Å; A434-R438 PolarHBondContact O-N 3.45Å; A434-R438 VanDerWaalsContact O-N 3.09Å; R435-R438 PolarHBondContact O-N 3.37Å
439	A	93.5	Very high	93.8	Very high	36 Å²	36	52.3 Å²	52.3	30%	0.298	27%	0.269	S	S	.	.			trans	-119.8	166.1	-160.9	0	0	0	0	0	113.8	A434 A437	A434-A439 PolarHBondContact O-N 2.92Å; A437-A439 HydrophobicContact CB-CB 3.77Å; A437-A439 PolarHBondContact O-N 3.43Å
440	L	93.5	Very high	93.8	Very high	56 Å²	56	49.4 Å²	49.4	29%	0.293	25%	0.25	S	S	.	.			trans	-61.7	143.1	174.3	-67.2	169.2	0	0	0	111.3	L349 L355 Q363 D442	L349-L440 HydrophobicContact CD1-CD2 3.89Å; L349-L440 HydrophobicContact CD2-CD2 4.35Å; L349-L440 HydrophobicContact CD2-CG 4.48Å; L355-L440 HydrophobicContact CD1-CD2 3.89Å; L355-L440 HydrophobicContact CD2-CD1 4.1Å; L355-L440 HydrophobicContact CD2-CD2 3.85Å; L355-L440 HydrophobicContact CD2-CG 4.39Å; Q363-L440 HydrophobicContact CG-CD2 3.51Å; L440-D442 PolarHBondContact O-N 3.04Å; L440-D442 VanDerWaalsContact O-N 3.14Å
441	L	95.1	Very high	93.7	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	28%	0.279	C	S	.	.			trans	-67.2	109.1	167.8	-64.2	159.8	0	0	0	108.6	W345 L348 Q363 I366 W367 L370 V430 L431 A434	W345-L441 HydrophobicContact CB-CD1 4.44Å; L348-L441 HydrophobicContact CD1-CD1 4Å; L348-L441 HydrophobicContact CD1-CD2 4.22Å; L348-L441 HydrophobicContact CD1-CG 4Å; Q363-L441 PolarHBondContact NE2-O 2.97Å; I366-L441 HydrophobicContact CB-CB 4.43Å; I366-L441 HydrophobicContact CD1-CB 4.36Å; I366-L441 WeakPolarHBondContact CD1-O 3.46Å; I366-L441 HydrophobicContact CG2-CB 3.9Å; I366-L441 HydrophobicContact CG2-CD1 4.2Å; W367-L441 HydrophobicContact CE3-CD1 3.92Å; W367-L441 HydrophobicContact CZ3-CD1 4.45Å; L370-L441 HydrophobicContact CD1-CD1 3.95Å; L370-L441 HydrophobicContact CD1-CD2 4.08Å; V430-L441 HydrophobicContact CG1-CD2 4.09Å; L431-L441 HydrophobicContact CD1-CD2 4.37Å; A434-L441 HydrophobicContact CB-CD2 3.61Å; A434-L441 HydrophobicContact CB-CG 4.19Å
442	D	93.8	Very high	93.7	Very high	60 Å²	60	59.8 Å²	59.8	32%	0.321	29%	0.294	S	S	.	.			trans	-85.5	122.8	174.4	174.1	-9	0	0	0	109.7	L440 T444 H445	L440-D442 PolarHBondContact O-N 3.04Å; L440-D442 VanDerWaalsContact O-N 3.14Å; D442-T444 PolarHBondContact O-N 2.64Å; D442-T444 WeakPolarHBondContact OD1-CB 3.2Å; D442-T444 WeakPolarHBondContact OD1-CG2 3.47Å; D442-T444 PolarHBondContact OD1-N 3.33Å; D442-T444 PolarHBondContact OD1-OG1 2.86Å; D442-T444 PolarHBondContact OD2-OG1 2.67Å; D442-T444 VanDerWaalsContact OD2-OG1 3.13Å; D442-H445 IonicContact OD2-CE1 2.68Å
443	P	94.6	Very high	93.7	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.026	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-69.9	-16.9	-177.3	30.7	-36.2	0	0	0	113.8	I366 H445 L446 I523 V536	I366-P443 HydrophobicContact CD1-CB 3.87Å; I366-P443 HydrophobicContact CD1-CG 4.16Å; I366-P443 HydrophobicContact CG1-CB 4.38Å; P443-H445 VanDerWaalsContact C-N 3.29Å; P443-H445 PolarHBondContact O-N 3.18Å; P443-L446 WeakPolarHBondContact O-CB 3.2Å; P443-L446 PolarHBondContact O-N 3.3Å; P443-I523 HydrophobicContact CB-CG2 3.75Å; P443-I523 HydrophobicContact CG-CG2 4.31Å; P443-V536 HydrophobicContact CB-CG2 3.94Å; P443-V536 HydrophobicContact CG-CG2 4.23Å
444	T	95.7	Very high	93.6	Very high	34 Å²	34	51.2 Å²	51.2	21%	0.209	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-66.5	-31.7	179.2	65.2	0	0	0	0	112.1	D442 L446 H447 A532 I535	D442-T444 PolarHBondContact O-N 2.64Å; D442-T444 WeakPolarHBondContact OD1-CB 3.2Å; D442-T444 WeakPolarHBondContact OD1-CG2 3.47Å; D442-T444 PolarHBondContact OD1-N 3.33Å; D442-T444 PolarHBondContact OD1-OG1 2.86Å; D442-T444 PolarHBondContact OD2-OG1 2.67Å; D442-T444 VanDerWaalsContact OD2-OG1 3.13Å; T444-L446 PolarHBondContact O-N 3.46Å; T444-L446 VanDerWaalsContact O-N 3.09Å; T444-H447 WeakPolarHBondContact O-CB 3.42Å; T444-H447 PolarHBondContact O-N 3.09Å; T444-A532 HydrophobicContact CG2-CB 3.65Å; T444-I535 HydrophobicContact CG2-CB 4.45Å; T444-I535 HydrophobicContact CG2-CD1 3.77Å; T444-I535 HydrophobicContact CG2-CG2 4.33Å
445	H	95.3	Very high	93.6	Very high	74 Å²	74	55 Å²	55	34%	0.343	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-65.8	-11.7	177.2	-56.9	127.7	0	0	0	114.2	V430 K433 D442 P443 H447	V430-H445 HydrophobicContact CG1-CB 4.41Å; V430-H445 HydrophobicContact CG2-CB 3.52Å; K433-H445 PolarHBondContact NZ-NE2 2.85Å; D442-H445 IonicContact OD2-CE1 2.68Å; P443-H445 VanDerWaalsContact C-N 3.29Å; P443-H445 PolarHBondContact O-N 3.18Å; H445-H447 VanDerWaalsContact C-N 3.3Å
446	L	95.9	Very high	93.7	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-79.1	-14.9	172.4	-62.4	170.3	0	0	0	112.5	L369 V426 V430 P443 T444 D448 G449 F450 M539	L369-L446 HydrophobicContact CD2-CD1 3.93Å; V426-L446 HydrophobicContact CG1-CD2 4.23Å; V430-L446 HydrophobicContact CB-CD2 4.49Å; V430-L446 HydrophobicContact CG2-CD2 4.01Å; P443-L446 WeakPolarHBondContact O-CB 3.2Å; P443-L446 PolarHBondContact O-N 3.3Å; T444-L446 PolarHBondContact O-N 3.46Å; T444-L446 VanDerWaalsContact O-N 3.09Å; L446-D448 PolarHBondContact O-N 3.22Å; L446-G449 PolarHBondContact O-N 2.98Å; L446-F450 HydrophobicContact CB-CD2 4.01Å; L446-F450 HydrophobicContact CB-CE2 4.22Å; L446-F450 WeakPolarHBondContact O-CD2 3.35Å; L446-F450 PolarHBondContact O-N 3.19Å; L446-M539 HydrophobicContact CB-CE 4.26Å; L446-M539 HydrophobicContact CB-SD 3.89Å
447	H	94.6	Very high	93.8	Very high	45 Å²	45	47.5 Å²	47.5	21%	0.208	26%	0.255	C	S	.	.	H	α-helix	trans	-50.1	-54.9	-169.2	172.6	-103.4	0	0	0	113.9	T444 H445 G449 F450 R451 I535 M539	T444-H447 WeakPolarHBondContact O-CB 3.42Å; T444-H447 PolarHBondContact O-N 3.09Å; H445-H447 VanDerWaalsContact C-N 3.3Å; H447-G449 PolarHBondContact O-N 2.87Å; H447-F450 PolarHBondContact O-N 3.42Å; H447-F450 VanDerWaalsContact O-N 3.08Å; H447-R451 WeakPolarHBondContact O-CB 3.34Å; H447-R451 PolarHBondContact O-N 3.34Å; H447-I535 HydrophobicContact CB-CG2 3.83Å; H447-M539 VanDerWaalsContact CA-SD 3.58Å
448	D	88.6	Confident	93.9	Very high	111 Å²	111	49 Å²	49	59%	0.594	25%	0.25	S	S	*	.	H	α-helix	trans	-67.4	-27.8	-170.6	-58.5	-28.5	0	0	0	112.3	L446 T452	L446-D448 PolarHBondContact O-N 3.22Å; D448-T452 PolarHBondContact O-N 3.44Å; D448-T452 PolarHBondContact O-OG1 3.14Å
449	G	89.9	Confident	94	Very high	4 Å²	4	45.7 Å²	45.7	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-68.2	-44.6	171.3	0	0	0	0	0	113.5	L446 H447 T452 F453	L446-G449 PolarHBondContact O-N 2.98Å; H447-G449 PolarHBondContact O-N 2.87Å; G449-T452 CarbonylContact O-C 3.57Å; G449-T452 PolarHBondContact O-N 2.9Å; G449-T452 PolarHBondContact O-OG1 2.98Å; G449-F453 PolarHBondContact O-N 2.89Å
450	F	94.8	Very high	94.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-83.4	-26.5	-179.3	-77.8	-83.5	0	0	0	113.6	L369 M427 L446 H447 T452 F453 Y516 L520 M539 T542 V543	L369-F450 HydrophobicContact CD1-CZ 4.47Å; L369-F450 HydrophobicContact CD2-CE2 4.32Å; L369-F450 HydrophobicContact CD2-CZ 4.23Å; M427-F450 HydrophobicContact CE-CZ 4.38Å; L446-F450 HydrophobicContact CB-CD2 4.01Å; L446-F450 HydrophobicContact CB-CE2 4.22Å; L446-F450 WeakPolarHBondContact O-CD2 3.35Å; L446-F450 PolarHBondContact O-N 3.19Å; H447-F450 PolarHBondContact O-N 3.42Å; H447-F450 VanDerWaalsContact O-N 3.08Å; F450-T452 PolarHBondContact O-N 3.41Å; F450-F453 AromaticContact CD1-CD2 3.68Å; F450-F453 HydrophobicContact CD1-CD2 3.68Å; F450-F453 HydrophobicContact CD1-CE2 4.23Å; F450-F453 AromaticContact CE1-CD2 3.93Å; F450-F453 HydrophobicContact CE1-CD2 3.93Å; F450-F453 HydrophobicContact CE1-CE2 4.05Å; F450-F453 WeakPolarHBondContact O-CB 3.45Å; F450-F453 PolarHBondContact O-N 2.87Å; F450-Y516 AromaticContact CE1-CD1 4Å; F450-Y516 HydrophobicContact CE1-CD1 4Å; F450-Y516 HydrophobicContact CZ-CD1 4.21Å; F450-L520 HydrophobicContact CD1-CD1 4.09Å; F450-L520 HydrophobicContact CE1-CD1 4.2Å; F450-M539 HydrophobicContact CB-CB 3.8Å; F450-M539 HydrophobicContact CB-CG 3.61Å; F450-M539 HydrophobicContact CB-SD 3.63Å; F450-M539 HydrophobicContact CD2-SD 3.79Å; F450-M539 HydrophobicContact CG-CB 4.45Å; F450-M539 HydrophobicContact CG-CG 4.45Å; F450-M539 HydrophobicContact CG-SD 3.97Å; F450-T542 WeakPolarHBondContact O-CG2 3.45Å; F450-V543 HydrophobicContact CD1-CG2 3.65Å; F450-V543 HydrophobicContact CE1-CG2 4.2Å
451	R	92.9	Very high	94.1	Very high	173 Å²	173	42.5 Å²	42.5	65%	0.653	22%	0.219	S	C	*	.	H	α-helix	trans	-61.3	-33.2	166.5	-177.4	178.4	177.2	-162.4	1.8	111.2	H447	H447-R451 WeakPolarHBondContact O-CB 3.34Å; H447-R451 PolarHBondContact O-N 3.34Å
452	T	93.1	Very high	94	Very high	51 Å²	51	46.9 Å²	46.9	31%	0.313	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	11	173.8	53.9	0	0	0	0	113.8	D448 G449 F450 G454 S455 R456	D448-T452 PolarHBondContact O-N 3.44Å; D448-T452 PolarHBondContact O-OG1 3.14Å; G449-T452 CarbonylContact O-C 3.57Å; G449-T452 PolarHBondContact O-N 2.9Å; G449-T452 PolarHBondContact O-OG1 2.98Å; F450-T452 PolarHBondContact O-N 3.41Å; T452-G454 VanDerWaalsContact C-N 3.35Å; T452-G454 PolarHBondContact O-N 2.97Å; T452-S455 PolarHBondContact O-N 3.28Å; T452-S455 PolarHBondContact O-OG 2.82Å; T452-R456 WeakPolarHBondContact O-CB 3.16Å; T452-R456 VanDerWaalsContact O-CG 3.26Å; T452-R456 WeakPolarHBondContact O-CG 3.35Å; T452-R456 PolarHBondContact O-N 3.23Å; T452-R456 WeakPolarHBondContact OG1-CD 3.48Å; T452-R456 PolarHBondContact OG1-NE 2.85Å
453	F	94.3	Very high	94.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.4	-45.6	-179.7	-168.9	-85.9	0	0	0	111.9	G449 F450 S455 R456 F457 L513 Y516 T542 V543 F546	G449-F453 PolarHBondContact O-N 2.89Å; F450-F453 AromaticContact CD1-CD2 3.68Å; F450-F453 HydrophobicContact CD1-CD2 3.68Å; F450-F453 HydrophobicContact CD1-CE2 4.23Å; F450-F453 AromaticContact CE1-CD2 3.93Å; F450-F453 HydrophobicContact CE1-CD2 3.93Å; F450-F453 HydrophobicContact CE1-CE2 4.05Å; F450-F453 WeakPolarHBondContact O-CB 3.45Å; F450-F453 PolarHBondContact O-N 2.87Å; F453-S455 VanDerWaalsContact C-N 3.3Å; F453-S455 PolarHBondContact O-N 2.77Å; F453-R456 PolarHBondContact O-N 3.49Å; F453-F457 HydrophobicContact CB-CD2 4.48Å; F453-F457 HydrophobicContact CD1-CB 4.17Å; F453-F457 AromaticContact CD1-CD2 3.93Å; F453-F457 HydrophobicContact CD1-CD2 3.93Å; F453-F457 AromaticContact CD1-CG 3.96Å; F453-F457 HydrophobicContact CD1-CG 3.96Å; F453-F457 AromaticContact CD2-CD2 3.54Å; F453-F457 HydrophobicContact CD2-CD2 3.54Å; F453-F457 HydrophobicContact CD2-CE1 4.48Å; F453-F457 AromaticContact CD2-CE2 3.34Å; F453-F457 HydrophobicContact CD2-CE2 3.34Å; F453-F457 HydrophobicContact CD2-CG 4.22Å; F453-F457 AromaticContact CD2-CZ 3.87Å; F453-F457 HydrophobicContact CD2-CZ 3.87Å; F453-F457 HydrophobicContact CE1-CB 4.07Å; F453-F457 AromaticContact CE1-CD1 3.87Å; F453-F457 HydrophobicContact CE1-CD1 3.87Å; F453-F457 HydrophobicContact CE1-CD2 4.01Å; F453-F457 HydrophobicContact CE1-CE1 4.34Å; F453-F457 HydrophobicContact CE1-CE2 4.46Å; F453-F457 AromaticContact CE1-CG 3.7Å; F453-F457 HydrophobicContact CE1-CG 3.7Å; F453-F457 AromaticContact CE2-CD1 3.97Å; F453-F457 HydrophobicContact CE2-CD1 3.97Å; F453-F457 AromaticContact CE2-CD2 3.65Å; F453-F457 HydrophobicContact CE2-CD2 3.65Å; F453-F457 AromaticContact CE2-CE1 3.63Å; F453-F457 HydrophobicContact CE2-CE1 3.63Å; F453-F457 AromaticContact CE2-CE2 3.28Å; F453-F457 HydrophobicContact CE2-CE2 3.28Å; F453-F457 AromaticContact CE2-CG 3.99Å; F453-F457 HydrophobicContact CE2-CG 3.99Å; F453-F457 AromaticContact CE2-CZ 3.28Å; F453-F457 HydrophobicContact CE2-CZ 3.28Å; F453-F457 AromaticContact CG-CD2 3.69Å; F453-F457 HydrophobicContact CG-CD2 3.69Å; F453-F457 HydrophobicContact CG-CE2 4Å; F453-F457 HydrophobicContact CG-CG 4.21Å; F453-F457 AromaticContact CZ-CD1 3.53Å; F453-F457 HydrophobicContact CZ-CD1 3.53Å; F453-F457 AromaticContact CZ-CD2 3.88Å; F453-F457 HydrophobicContact CZ-CD2 3.88Å; F453-F457 AromaticContact CZ-CE1 3.54Å; F453-F457 HydrophobicContact CZ-CE1 3.54Å; F453-F457 AromaticContact CZ-CE2 3.89Å; F453-F457 HydrophobicContact CZ-CE2 3.89Å; F453-F457 AromaticContact CZ-CG 3.72Å; F453-F457 HydrophobicContact CZ-CG 3.72Å; F453-F457 AromaticContact CZ-CZ 3.72Å; F453-F457 HydrophobicContact CZ-CZ 3.72Å; F453-F457 VanDerWaalsContact O-CB 3.3Å; F453-F457 WeakPolarHBondContact O-CB 3.32Å; F453-F457 WeakPolarHBondContact O-CD2 3.38Å; F453-F457 PolarHBondContact O-N 2.95Å; F453-L513 HydrophobicContact CE1-CD1 4.22Å; F453-L513 HydrophobicContact CZ-CD1 4.11Å; F453-Y516 AromaticContact CE2-CD2 3.9Å; F453-Y516 HydrophobicContact CE2-CD2 3.9Å; F453-Y516 HydrophobicContact CE2-CE2 4.27Å; F453-Y516 HydrophobicContact CE2-CG 4.04Å; F453-Y516 AromaticContact CZ-CD2 3.83Å; F453-Y516 HydrophobicContact CZ-CD2 3.83Å; F453-Y516 HydrophobicContact CZ-CE2 4.35Å; F453-Y516 HydrophobicContact CZ-CG 4.28Å; F453-T542 HydrophobicContact CB-CG2 4.4Å; F453-V543 HydrophobicContact CB-CG2 4.37Å; F453-V543 HydrophobicContact CD1-CB 4.46Å; F453-V543 HydrophobicContact CD1-CG2 4.03Å; F453-V543 HydrophobicContact CD2-CG2 3.75Å; F453-V543 HydrophobicContact CE1-CB 4.37Å; F453-V543 HydrophobicContact CE1-CG1 4Å; F453-V543 HydrophobicContact CE1-CG2 4.18Å; F453-V543 HydrophobicContact CE2-CG1 4.38Å; F453-V543 HydrophobicContact CE2-CG2 3.9Å; F453-V543 HydrophobicContact CG-CG2 3.81Å; F453-V543 HydrophobicContact CZ-CG1 3.9Å; F453-V543 HydrophobicContact CZ-CG2 4.13Å; F453-F546 HydrophobicContact CD1-CB 4.05Å; F453-F546 HydrophobicContact CD1-CD1 4.16Å; F453-F546 HydrophobicContact CD1-CG 4.16Å; F453-F546 HydrophobicContact CE1-CB 4.26Å; F453-F546 AromaticContact CE1-CD1 3.72Å; F453-F546 HydrophobicContact CE1-CD1 3.72Å; F453-F546 HydrophobicContact CE1-CE1 4.46Å; F453-F546 HydrophobicContact CE1-CG 4.18Å
454	G	92.6	Very high	94	Very high	24 Å²	24	44.2 Å²	44.2	25%	0.247	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-33.2	-176.5	0	0	0	0	0	114.9	T452 Q458	T452-G454 VanDerWaalsContact C-N 3.35Å; T452-G454 PolarHBondContact O-N 2.97Å; G454-Q458 PolarHBondContact O-NE2 3.38Å
455	S	93.5	Very high	93.7	Very high	83 Å²	83	44.2 Å²	44.2	58%	0.58	22%	0.224	S	C	*	.	H	α-helix	trans	-88.1	-38.2	175.3	54.8	0	0	0	0	112.4	T452 F453 F457 Q458	T452-S455 PolarHBondContact O-N 3.28Å; T452-S455 PolarHBondContact O-OG 2.82Å; F453-S455 VanDerWaalsContact C-N 3.3Å; F453-S455 PolarHBondContact O-N 2.77Å; S455-F457 VanDerWaalsContact C-N 3.33Å; S455-F457 PolarHBondContact O-N 2.9Å; S455-Q458 WeakPolarHBondContact O-CG 3.4Å
456	R	94.3	Very high	93.5	Very high	71 Å²	71	43 Å²	43	27%	0.268	22%	0.218	S	C	.	.	H	α-helix	trans	-62.9	-37.2	175.9	-72.4	174.4	179	-82.8	-0.9	112.7	L418 S421 Q425 T452 F453	L418-R456 WeakPolarHBondContact CG-O 3.35Å; S421-R456 PolarHBondContact OG-NH1 3.26Å; Q425-R456 VanDerWaalsContact OE1-CZ 3.3Å; T452-R456 WeakPolarHBondContact O-CB 3.16Å; T452-R456 VanDerWaalsContact O-CG 3.26Å; T452-R456 WeakPolarHBondContact O-CG 3.35Å; T452-R456 PolarHBondContact O-N 3.23Å; T452-R456 WeakPolarHBondContact OG1-CD 3.48Å; T452-R456 PolarHBondContact OG1-NE 2.85Å; F453-R456 PolarHBondContact O-N 3.49Å
457	F	96.8	Very high	93.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	1.8	-172.8	-81.2	-111.4	0	0	0	115.1	L418 H419 L422 F453 S455 P459 Y460 L513 Y516 F546	L418-F457 HydrophobicContact CD1-CD1 4.29Å; L418-F457 HydrophobicContact CD1-CG 4.3Å; L418-F457 HydrophobicContact CD2-CD1 4.24Å; L418-F457 HydrophobicContact CD2-CD2 4.13Å; L418-F457 HydrophobicContact CD2-CE1 3.93Å; L418-F457 HydrophobicContact CD2-CE2 3.8Å; L418-F457 HydrophobicContact CD2-CG 4.33Å; L418-F457 HydrophobicContact CD2-CZ 3.69Å; H419-F457 AromaticContact CE1-CE1 3.69Å; H419-F457 AromaticContact CE1-CZ 3.85Å; L422-F457 HydrophobicContact CD2-CE2 3.96Å; L422-F457 HydrophobicContact CD2-CZ 3.81Å; F453-F457 HydrophobicContact CB-CD2 4.48Å; F453-F457 HydrophobicContact CD1-CB 4.17Å; F453-F457 AromaticContact CD1-CD2 3.93Å; F453-F457 HydrophobicContact CD1-CD2 3.93Å; F453-F457 AromaticContact CD1-CG 3.96Å; F453-F457 HydrophobicContact CD1-CG 3.96Å; F453-F457 AromaticContact CD2-CD2 3.54Å; F453-F457 HydrophobicContact CD2-CD2 3.54Å; F453-F457 HydrophobicContact CD2-CE1 4.48Å; F453-F457 AromaticContact CD2-CE2 3.34Å; F453-F457 HydrophobicContact CD2-CE2 3.34Å; F453-F457 HydrophobicContact CD2-CG 4.22Å; F453-F457 AromaticContact CD2-CZ 3.87Å; F453-F457 HydrophobicContact CD2-CZ 3.87Å; F453-F457 HydrophobicContact CE1-CB 4.07Å; F453-F457 AromaticContact CE1-CD1 3.87Å; F453-F457 HydrophobicContact CE1-CD1 3.87Å; F453-F457 HydrophobicContact CE1-CD2 4.01Å; F453-F457 HydrophobicContact CE1-CE1 4.34Å; F453-F457 HydrophobicContact CE1-CE2 4.46Å; F453-F457 AromaticContact CE1-CG 3.7Å; F453-F457 HydrophobicContact CE1-CG 3.7Å; F453-F457 AromaticContact CE2-CD1 3.97Å; F453-F457 HydrophobicContact CE2-CD1 3.97Å; F453-F457 AromaticContact CE2-CD2 3.65Å; F453-F457 HydrophobicContact CE2-CD2 3.65Å; F453-F457 AromaticContact CE2-CE1 3.63Å; F453-F457 HydrophobicContact CE2-CE1 3.63Å; F453-F457 AromaticContact CE2-CE2 3.28Å; F453-F457 HydrophobicContact CE2-CE2 3.28Å; F453-F457 AromaticContact CE2-CG 3.99Å; F453-F457 HydrophobicContact CE2-CG 3.99Å; F453-F457 AromaticContact CE2-CZ 3.28Å; F453-F457 HydrophobicContact CE2-CZ 3.28Å; F453-F457 AromaticContact CG-CD2 3.69Å; F453-F457 HydrophobicContact CG-CD2 3.69Å; F453-F457 HydrophobicContact CG-CE2 4Å; F453-F457 HydrophobicContact CG-CG 4.21Å; F453-F457 AromaticContact CZ-CD1 3.53Å; F453-F457 HydrophobicContact CZ-CD1 3.53Å; F453-F457 AromaticContact CZ-CD2 3.88Å; F453-F457 HydrophobicContact CZ-CD2 3.88Å; F453-F457 AromaticContact CZ-CE1 3.54Å; F453-F457 HydrophobicContact CZ-CE1 3.54Å; F453-F457 AromaticContact CZ-CE2 3.89Å; F453-F457 HydrophobicContact CZ-CE2 3.89Å; F453-F457 AromaticContact CZ-CG 3.72Å; F453-F457 HydrophobicContact CZ-CG 3.72Å; F453-F457 AromaticContact CZ-CZ 3.72Å; F453-F457 HydrophobicContact CZ-CZ 3.72Å; F453-F457 VanDerWaalsContact O-CB 3.3Å; F453-F457 WeakPolarHBondContact O-CB 3.32Å; F453-F457 WeakPolarHBondContact O-CD2 3.38Å; F453-F457 PolarHBondContact O-N 2.95Å; S455-F457 VanDerWaalsContact C-N 3.33Å; S455-F457 PolarHBondContact O-N 2.9Å; F457-P459 VanDerWaalsContact C-N 3.28Å; F457-Y460 HydrophobicContact CB-CD2 4.34Å; F457-Y460 AromaticContact CD1-CD2 3.44Å; F457-Y460 HydrophobicContact CD1-CD2 3.44Å; F457-Y460 VanDerWaalsContact CD1-CD2 3.44Å; F457-Y460 AromaticContact CD1-CE2 3.54Å; F457-Y460 HydrophobicContact CD1-CE2 3.54Å; F457-Y460 HydrophobicContact CD1-CG 4.42Å; F457-Y460 HydrophobicContact CE1-CD2 4.12Å; F457-Y460 AromaticContact CE1-CE2 3.72Å; F457-Y460 HydrophobicContact CE1-CE2 3.72Å; F457-Y460 HydrophobicContact CG-CD2 4.27Å; F457-Y460 WeakPolarHBondContact O-CB 3.33Å; F457-Y460 PolarHBondContact O-N 2.67Å; F457-L513 HydrophobicContact CD1-CD1 4.06Å; F457-Y516 HydrophobicContact CE1-CD2 4.35Å; F457-Y516 AromaticContact CE1-CE2 3.68Å; F457-Y516 HydrophobicContact CE1-CE2 3.68Å; F457-Y516 AromaticContact CZ-CE2 3.89Å; F457-Y516 HydrophobicContact CZ-CE2 3.89Å; F457-F546 HydrophobicContact CB-CD1 4.17Å; F457-F546 HydrophobicContact CB-CE1 3.67Å; F457-F546 HydrophobicContact CB-CE2 4.15Å; F457-F546 HydrophobicContact CB-CZ 3.67Å; F457-F546 WeakPolarHBondContact O-CZ 3.4Å
458	Q	95.5	Very high	92.9	Very high	101 Å²	101	48.1 Å²	48.1	47%	0.472	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-39.6	179.1	-69	-69	-55.3	0	0	115.4	G454 S455 Y460 I461	G454-Q458 PolarHBondContact O-NE2 3.38Å; S455-Q458 WeakPolarHBondContact O-CG 3.4Å; Q458-Y460 PolarHBondContact O-N 3.16Å; Q458-I461 WeakPolarHBondContact O-CB 3.42Å; Q458-I461 PolarHBondContact O-N 3.37Å
459	P	95.6	Very high	93	Very high	31 Å²	31	45.6 Å²	45.6	20%	0.201	23%	0.233	C	C	.	.	H	α-helix	trans	-55	-23.5	175	-29.7	37.5	0	0	0	115.9	N411 E414 I415 L418 F457 I461 H462 Y463	N411-P459 PolarHBondContact ND2-O 3.41Å; E414-P459 HydrophobicContact CB-CB 3.85Å; E414-P459 HydrophobicContact CB-CG 4.2Å; I415-P459 HydrophobicContact CD1-CB 4.05Å; L418-P459 HydrophobicContact CD1-CB 4.34Å; L418-P459 HydrophobicContact CD1-CG 4.32Å; F457-P459 VanDerWaalsContact C-N 3.28Å; P459-I461 VanDerWaalsContact C-N 3.29Å; P459-I461 PolarHBondContact O-N 3.28Å; P459-H462 PolarHBondContact O-N 3.01Å; P459-Y463 PolarHBondContact O-N 3.23Å; P459-Y463 VanDerWaalsContact O-N 3.12Å
460	Y	96.4	Very high	93.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.8	-27.8	174.4	-90	-84.2	0	0	0	113.9	Y376 I415 L418 H419 F457 Q458 Y463 C464 P509 L513	Y376-Y460 PolarHBondContact OH-OH 2.92Å; Y376-Y460 VanDerWaalsContact OH-OH 3.11Å; I415-Y460 HydrophobicContact CD1-CD1 4.18Å; I415-Y460 HydrophobicContact CD1-CD2 3.78Å; I415-Y460 HydrophobicContact CD1-CE1 4.23Å; I415-Y460 HydrophobicContact CD1-CE2 3.85Å; I415-Y460 HydrophobicContact CD1-CG 3.96Å; I415-Y460 HydrophobicContact CG2-CE2 4.17Å; L418-Y460 HydrophobicContact CD1-CD2 3.68Å; L418-Y460 HydrophobicContact CD1-CE2 3.73Å; H419-Y460 AromaticContact NE2-CE2 3.32Å; H419-Y460 VanDerWaalsContact NE2-CE2 3.32Å; H419-Y460 WeakPolarHBondContact NE2-CE2 3.43Å; H419-Y460 AromaticContact NE2-CZ 3.41Å; H419-Y460 PolarHBondContact NE2-OH 3.16Å; F457-Y460 HydrophobicContact CB-CD2 4.34Å; F457-Y460 AromaticContact CD1-CD2 3.44Å; F457-Y460 HydrophobicContact CD1-CD2 3.44Å; F457-Y460 VanDerWaalsContact CD1-CD2 3.44Å; F457-Y460 AromaticContact CD1-CE2 3.54Å; F457-Y460 HydrophobicContact CD1-CE2 3.54Å; F457-Y460 HydrophobicContact CD1-CG 4.42Å; F457-Y460 HydrophobicContact CE1-CD2 4.12Å; F457-Y460 AromaticContact CE1-CE2 3.72Å; F457-Y460 HydrophobicContact CE1-CE2 3.72Å; F457-Y460 HydrophobicContact CG-CD2 4.27Å; F457-Y460 WeakPolarHBondContact O-CB 3.33Å; F457-Y460 PolarHBondContact O-N 2.67Å; Q458-Y460 PolarHBondContact O-N 3.16Å; Y460-Y463 PolarHBondContact O-N 3.03Å; Y460-C464 WeakPolarHBondContact O-CB 3.47Å; Y460-C464 PolarHBondContact O-N 3.38Å; Y460-C464 PolarHBondContact O-SG 3.33Å; Y460-P509 HydrophobicContact CE1-CB 3.57Å; Y460-P509 WeakPolarHBondContact CE1-O 3.41Å; Y460-L513 HydrophobicContact CD1-CB 4.13Å; Y460-L513 HydrophobicContact CD1-CD2 3.89Å; Y460-L513 HydrophobicContact CD1-CG 4.41Å; Y460-L513 HydrophobicContact CE1-CB 3.97Å; Y460-L513 HydrophobicContact CG-CD1 4.44Å; Y460-L513 HydrophobicContact CG-CD2 4.22Å
461	I	93.4	Very high	93	Very high	24 Å²	24	47 Å²	47	12%	0.123	24%	0.24	C	C	.	.	H	α-helix	trans	-60.7	-52.5	176.6	-62.1	164.7	0	0	0	108.4	Q458 P459 Y463 M465 F546 V550	Q458-I461 WeakPolarHBondContact O-CB 3.42Å; Q458-I461 PolarHBondContact O-N 3.37Å; P459-I461 VanDerWaalsContact C-N 3.29Å; P459-I461 PolarHBondContact O-N 3.28Å; I461-Y463 PolarHBondContact O-N 3.49Å; I461-M465 HydrophobicContact CG2-CE 4.29Å; I461-M465 WeakPolarHBondContact O-CB 3.46Å; I461-M465 WeakPolarHBondContact O-CG 3.37Å; I461-M465 PolarHBondContact O-N 2.87Å; I461-F546 HydrophobicContact CD1-CE2 4.3Å; I461-F546 HydrophobicContact CG1-CE2 4.38Å; I461-F546 HydrophobicContact CG1-CZ 4.2Å; I461-V550 HydrophobicContact CG1-CG2 3.94Å
462	H	93.2	Very high	93	Very high	94 Å²	94	42.8 Å²	42.8	44%	0.435	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-45.8	175.9	-178.4	-77.4	0	0	0	112	S410 N411 P459 C464 M465 E466	S410-H462 PolarHBondContact OG-CE1 3.36Å; S410-H462 PolarHBondContact OG-ND1 3.04Å; N411-H462 PolarHBondContact OD1-ND1 3.48Å; P459-H462 PolarHBondContact O-N 3.01Å; H462-C464 PolarHBondContact O-N 3.21Å; H462-M465 PolarHBondContact O-N 3.48Å; H462-E466 PolarHBondContact O-N 2.99Å; H462-E466 VanDerWaalsContact O-N 3.16Å
463	Y	94.7	Very high	93.1	Very high	3 Å²	3	43 Å²	43	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-48.6	-176.7	-167.7	-88.1	0	0	0	112.5	N411 I412 I415 P459 Y460 I461 M465 E466 E467 L506 P509	N411-Y463 VanDerWaalsContact OD1-CA 3.28Å; N411-Y463 WeakPolarHBondContact OD1-CA 3.37Å; N411-Y463 WeakPolarHBondContact OD1-CB 3.31Å; N411-Y463 PolarHBondContact OD1-N 3.37Å; I412-Y463 HydrophobicContact CB-CE2 4.12Å; I412-Y463 HydrophobicContact CD1-CD2 4.5Å; I412-Y463 HydrophobicContact CD1-CE2 3.7Å; I415-Y463 HydrophobicContact CD1-CG 4.38Å; I415-Y463 HydrophobicContact CG1-CD2 3.97Å; I415-Y463 HydrophobicContact CG1-CG 4.15Å; P459-Y463 PolarHBondContact O-N 3.23Å; P459-Y463 VanDerWaalsContact O-N 3.12Å; Y460-Y463 PolarHBondContact O-N 3.03Å; I461-Y463 PolarHBondContact O-N 3.49Å; Y463-M465 VanDerWaalsContact C-N 3.29Å; Y463-M465 PolarHBondContact O-N 2.92Å; Y463-E466 PolarHBondContact O-N 3.34Å; Y463-E467 PolarHBondContact O-N 2.79Å; Y463-L506 PolarHBondContact OH-O 3.46Å; Y463-P509 HydrophobicContact CD1-CB 3.89Å; Y463-P509 HydrophobicContact CD1-CG 4.28Å; Y463-P509 HydrophobicContact CE1-CB 3.72Å; Y463-P509 HydrophobicContact CE1-CG 3.68Å; Y463-P509 HydrophobicContact CE2-CG 4.44Å
464	C	92.8	Very high	93.1	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.027	22%	0.223	C	C	.	.	H	α-helix	trans	-68.7	-27	-180	-69.9	0	0	0	0	112.8	Y460 H462 V550 M554	Y460-C464 WeakPolarHBondContact O-CB 3.47Å; Y460-C464 PolarHBondContact O-N 3.38Å; Y460-C464 PolarHBondContact O-SG 3.33Å; H462-C464 PolarHBondContact O-N 3.21Å; C464-V550 HydrophobicContact CB-CG1 4.08Å; C464-M554 HydrophobicContact CB-CE 4.15Å; C464-M554 HydrophobicContact CB-SD 3.7Å; C464-M554 VanDerWaalsContact O-CE 3.31Å; C464-M554 WeakPolarHBondContact O-CE 3.34Å
465	M	89.9	Confident	93.2	Very high	35 Å²	35	47.6 Å²	47.6	17%	0.172	23%	0.232	C	C	.	.	H	α-helix	trans	-72.4	-32.8	175.8	-68.3	-80.2	-166.7	0	0	113.5	I461 H462 Y463 Q553 M554 R557	I461-M465 HydrophobicContact CG2-CE 4.29Å; I461-M465 WeakPolarHBondContact O-CB 3.46Å; I461-M465 WeakPolarHBondContact O-CG 3.37Å; I461-M465 PolarHBondContact O-N 2.87Å; H462-M465 PolarHBondContact O-N 3.48Å; Y463-M465 VanDerWaalsContact C-N 3.29Å; Y463-M465 PolarHBondContact O-N 2.92Å; M465-Q553 HydrophobicContact CE-CB 3.4Å; M465-Q553 VanDerWaalsContact CE-CB 3.4Å; M465-Q553 WeakPolarHBondContact CE-O 3.42Å; M465-M554 HydrophobicContact CE-CG 4.29Å; M465-M554 HydrophobicContact SD-CG 4.04Å; M465-R557 HydrophobicContact CE-CB 4.4Å; M465-R557 HydrophobicContact SD-CB 3.87Å; M465-R557 WeakPolarHBondContact SD-CD 3.45Å; M465-R557 HydrophobicContact SD-CG 4.24Å
466	E	90.6	Very high	93.3	Very high	48 Å²	48	45.8 Å²	45.8	22%	0.224	22%	0.218	C	C	.	.	H	α-helix	trans	-102.8	5.5	179.8	-59.3	-55.7	151	0	0	113.6	H462 Y463 E468 S469 C470 R557	H462-E466 PolarHBondContact O-N 2.99Å; H462-E466 VanDerWaalsContact O-N 3.16Å; Y463-E466 PolarHBondContact O-N 3.34Å; E466-E468 VanDerWaalsContact C-N 3.35Å; E466-E468 PolarHBondContact O-N 3.14Å; E466-S469 WeakPolarHBondContact CA-OG 3.45Å; E466-S469 PolarHBondContact O-OG 2.7Å; E466-S469 PolarHBondContact OE2-OG 3.37Å; E466-C470 WeakPolarHBondContact O-CB 3.4Å; E466-C470 PolarHBondContact O-N 2.72Å; E466-R557 IonicContact OE1-CZ 3.65Å; E466-R557 IonicContact OE1-NH1 3.25Å; E466-R557 PolarHBondContact OE1-NH1 2.86Å; E466-R557 IonicContact OE1-NH2 2.67Å; E466-R557 PolarHBondContact OE1-NH2 2.97Å; E466-R557 IonicContact OE2-NH2 3.19Å
467	E	88.8	Confident	93.4	Very high	16 Å²	16	43 Å²	43	8%	0.075	21%	0.209	C	C	.	.	H	α-helix	trans	-61.4	-42.4	179.4	-174.9	179.3	-156	0	0	111.7	Y463 M471 H510	Y463-E467 PolarHBondContact O-N 2.79Å; E467-M471 HydrophobicContact CG-CG 4.48Å; E467-M471 VanDerWaalsContact O-CB 3.28Å; E467-M471 WeakPolarHBondContact O-CB 3.43Å; E467-M471 WeakPolarHBondContact O-CG 3.32Å; E467-M471 PolarHBondContact O-N 3.35Å; E467-H510 IonicContact OE1-CG 3.62Å; E467-H510 IonicContact OE1-ND1 3.49Å; E467-H510 IonicContact OE2-CE1 3.31Å; E467-H510 IonicContact OE2-CG 2.73Å; E467-H510 IonicContact OE2-ND1 2.74Å; E467-H510 PolarHBondContact OE2-ND1 2.68Å
468	E	88.6	Confident	93.3	Very high	137 Å²	137	45.5 Å²	45.5	64%	0.64	22%	0.222	S	C	*	.	H	α-helix	trans	-71.1	-41.8	-178.7	-172.9	168.1	-163.2	0	0	112.4	E466 M471 E472	E466-E468 VanDerWaalsContact C-N 3.35Å; E466-E468 PolarHBondContact O-N 3.14Å; E468-M471 PolarHBondContact O-N 3.07Å; E468-E472 PolarHBondContact O-N 3.34Å
469	S	90.8	Very high	93.2	Very high	58 Å²	58	47.5 Å²	47.5	41%	0.406	23%	0.225	S	C	.	.	H	α-helix	trans	-65.9	-43.9	176.9	57.3	0	0	0	0	111.4	E466 E472 Y473	E466-S469 WeakPolarHBondContact CA-OG 3.45Å; E466-S469 PolarHBondContact O-OG 2.7Å; E466-S469 PolarHBondContact OE2-OG 3.37Å; S469-E472 PolarHBondContact O-N 2.95Å; S469-Y473 WeakPolarHBondContact O-CB 3.48Å; S469-Y473 PolarHBondContact O-N 3.49Å
470	C	93.4	Very high	93.1	Very high	5 Å²	5	51 Å²	51	3%	0.034	24%	0.242	C	C	.	.	H	α-helix	trans	-58.9	-48.6	173.8	176.3	0	0	0	0	112.2	K407 L408 E466 E472 Y473 M474	K407-C470 WeakPolarHBondContact O-CA 3.41Å; K407-C470 PolarHBondContact O-SG 3.44Å; L408-C470 VanDerWaalsContact C-SG 3.5Å; L408-C470 PolarHBondContact O-SG 3.27Å; E466-C470 WeakPolarHBondContact O-CB 3.4Å; E466-C470 PolarHBondContact O-N 2.72Å; C470-E472 PolarHBondContact O-N 2.97Å; C470-Y473 PolarHBondContact O-N 3.23Å; C470-M474 WeakPolarHBondContact O-CB 3.33Å; C470-M474 PolarHBondContact O-N 3.45Å
471	M	91.9	Very high	93	Very high	30 Å²	30	51.8 Å²	51.8	15%	0.148	25%	0.246	C	C	.	.	H	α-helix	trans	-67	-35.3	-179.4	-71.5	-74.6	-77.7	0	0	112.5	E467 E468 M474 R475 A503 L506	E467-M471 HydrophobicContact CG-CG 4.48Å; E467-M471 VanDerWaalsContact O-CB 3.28Å; E467-M471 WeakPolarHBondContact O-CB 3.43Å; E467-M471 WeakPolarHBondContact O-CG 3.32Å; E467-M471 PolarHBondContact O-N 3.35Å; E468-M471 PolarHBondContact O-N 3.07Å; M471-M474 HydrophobicContact CE-CE 4.06Å; M471-M474 HydrophobicContact SD-CE 3.47Å; M471-M474 WeakPolarHBondContact SD-CE 3.47Å; M471-R475 VanDerWaalsContact O-CG 3.29Å; M471-R475 WeakPolarHBondContact O-CG 3.29Å; M471-R475 PolarHBondContact O-N 3.09Å; M471-A503 HydrophobicContact CE-CB 4.09Å; M471-L506 HydrophobicContact SD-CB 4.12Å; M471-L506 HydrophobicContact SD-CD1 4.44Å
472	E	93.1	Very high	93.1	Very high	84 Å²	84	55.8 Å²	55.8	39%	0.393	26%	0.264	S	S	.	.	H	α-helix	trans	-74.7	-35.8	175.8	-171.4	54	-144.3	0	0	113	E468 S469 C470 R475 T476	E468-E472 PolarHBondContact O-N 3.34Å; S469-E472 PolarHBondContact O-N 2.95Å; C470-E472 PolarHBondContact O-N 2.97Å; E472-R475 PolarHBondContact O-N 2.94Å; E472-R475 WeakPolarHBondContact OE2-CD 3.44Å; E472-R475 IonicContact OE2-CZ 3.3Å; E472-R475 IonicContact OE2-NE 2.88Å; E472-R475 IonicContact OE2-NH1 3.35Å; E472-R475 PolarHBondContact OE2-NH1 3.03Å; E472-T476 WeakPolarHBondContact O-CB 3.36Å; E472-T476 PolarHBondContact O-N 3.24Å; E472-T476 PolarHBondContact O-OG1 3.06Å
473	Y	95.6	Very high	93.2	Very high	55 Å²	55	52.3 Å²	52.3	22%	0.216	25%	0.25	C	C	.	.	H	α-helix	trans	-60.1	-46.3	170.8	-179.8	-118.2	0	0	0	111.1	D402 E404 K407 L408 S469 C470 R475 T476 L477	D402-Y473 PolarHBondContact O-OH 3.47Å; E404-Y473 HydrophobicContact CB-CE1 4.42Å; E404-Y473 PolarHBondContact N-OH 3.38Å; K407-Y473 HydrophobicContact CB-CD1 3.48Å; K407-Y473 VanDerWaalsContact CB-CD1 3.48Å; K407-Y473 HydrophobicContact CB-CE1 3.6Å; K407-Y473 HydrophobicContact CB-CG 4.09Å; L408-Y473 HydrophobicContact CB-CD1 4.41Å; L408-Y473 HydrophobicContact CB-CE1 4.32Å; S469-Y473 WeakPolarHBondContact O-CB 3.48Å; S469-Y473 PolarHBondContact O-N 3.49Å; C470-Y473 PolarHBondContact O-N 3.23Å; Y473-R475 PolarHBondContact O-N 3.45Å; Y473-T476 PolarHBondContact O-N 3.31Å; Y473-L477 HydrophobicContact CD1-CD1 4.02Å; Y473-L477 HydrophobicContact CE1-CD1 3.56Å; Y473-L477 HydrophobicContact CE1-CG 4.37Å; Y473-L477 HydrophobicContact CE2-CD1 4.24Å; Y473-L477 HydrophobicContact CE2-CD2 4.36Å; Y473-L477 HydrophobicContact CE2-CG 4.19Å; Y473-L477 WeakPolarHBondContact O-CG 3.07Å; Y473-L477 PolarHBondContact O-N 3.24Å
474	M	94.7	Very high	93.2	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.015	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-43.4	174.1	-177.8	-170.8	58.1	0	0	112.6	L408 C470 M471 T476 L477 L478 L502 A503 L506	L408-M474 HydrophobicContact CD1-CB 3.77Å; L408-M474 HydrophobicContact CD1-CG 3.84Å; C470-M474 WeakPolarHBondContact O-CB 3.33Å; C470-M474 PolarHBondContact O-N 3.45Å; M471-M474 HydrophobicContact CE-CE 4.06Å; M471-M474 HydrophobicContact SD-CE 3.47Å; M471-M474 WeakPolarHBondContact SD-CE 3.47Å; M474-T476 VanDerWaalsContact C-N 3.34Å; M474-T476 PolarHBondContact O-N 3.47Å; M474-L477 PolarHBondContact O-N 3.43Å; M474-L478 HydrophobicContact CG-CD1 4.01Å; M474-L478 HydrophobicContact CG-CG 4.42Å; M474-L478 WeakPolarHBondContact O-CB 3.31Å; M474-L478 VanDerWaalsContact O-CG 3.32Å; M474-L478 WeakPolarHBondContact O-CG 3.07Å; M474-L478 PolarHBondContact O-N 2.88Å; M474-L502 HydrophobicContact SD-CB 4.45Å; M474-L502 HydrophobicContact SD-CD2 4.05Å; M474-L502 HydrophobicContact SD-CG 3.98Å; M474-A503 HydrophobicContact CE-CB 3.65Å; M474-A503 HydrophobicContact SD-CB 4.49Å; M474-L506 HydrophobicContact SD-CD1 3.93Å
475	R	94.3	Very high	93.4	Very high	117 Å²	117	56.4 Å²	56.4	44%	0.442	27%	0.265	S	S	.	.	H	α-helix	trans	-60.7	-43	175.6	-74.5	175.4	-149.6	120.6	3.6	111.8	M471 E472 Y473 L478 R479	M471-R475 VanDerWaalsContact O-CG 3.29Å; M471-R475 WeakPolarHBondContact O-CG 3.29Å; M471-R475 PolarHBondContact O-N 3.09Å; E472-R475 PolarHBondContact O-N 2.94Å; E472-R475 WeakPolarHBondContact OE2-CD 3.44Å; E472-R475 IonicContact OE2-CZ 3.3Å; E472-R475 IonicContact OE2-NE 2.88Å; E472-R475 IonicContact OE2-NH1 3.35Å; E472-R475 PolarHBondContact OE2-NH1 3.03Å; Y473-R475 PolarHBondContact O-N 3.45Å; R475-L478 PolarHBondContact O-N 2.67Å; R475-R479 WeakPolarHBondContact O-CB 3.16Å; R475-R479 PolarHBondContact O-N 3.05Å
476	T	95.5	Very high	93.7	Very high	45 Å²	45	56.4 Å²	56.4	28%	0.276	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-48.2	176.6	-69.7	0	0	0	0	111	E472 Y473 M474 L478 R479 D480	E472-T476 WeakPolarHBondContact O-CB 3.36Å; E472-T476 PolarHBondContact O-N 3.24Å; E472-T476 PolarHBondContact O-OG1 3.06Å; Y473-T476 PolarHBondContact O-N 3.31Å; M474-T476 VanDerWaalsContact C-N 3.34Å; M474-T476 PolarHBondContact O-N 3.47Å; T476-L478 PolarHBondContact O-N 2.68Å; T476-R479 PolarHBondContact O-N 2.99Å; T476-D480 WeakPolarHBondContact O-CB 3.31Å; T476-D480 PolarHBondContact O-N 2.78Å
477	L	95.6	Very high	94	Very high	14 Å²	14	54.2 Å²	54.2	7%	0.073	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-44.4	174.7	-69.8	174.8	0	0	0	112.6	V403 Y473 M474 R479 D480 N481 F484	V403-L477 HydrophobicContact CG1-CD1 3.82Å; V403-L477 HydrophobicContact CG2-CD1 4.29Å; V403-L477 HydrophobicContact CG2-CD2 4.29Å; Y473-L477 HydrophobicContact CD1-CD1 4.02Å; Y473-L477 HydrophobicContact CE1-CD1 3.56Å; Y473-L477 HydrophobicContact CE1-CG 4.37Å; Y473-L477 HydrophobicContact CE2-CD1 4.24Å; Y473-L477 HydrophobicContact CE2-CD2 4.36Å; Y473-L477 HydrophobicContact CE2-CG 4.19Å; Y473-L477 WeakPolarHBondContact O-CG 3.07Å; Y473-L477 PolarHBondContact O-N 3.24Å; M474-L477 PolarHBondContact O-N 3.43Å; L477-R479 PolarHBondContact O-N 2.93Å; L477-D480 PolarHBondContact O-N 3.44Å; L477-N481 HydrophobicContact CD2-CB 4.24Å; L477-N481 WeakPolarHBondContact O-CA 3.48Å; L477-N481 VanDerWaalsContact O-CB 3.31Å; L477-N481 WeakPolarHBondContact O-CB 3.38Å; L477-N481 PolarHBondContact O-N 2.87Å; L477-F484 HydrophobicContact CB-CD1 3.45Å; L477-F484 VanDerWaalsContact CB-CD1 3.45Å; L477-F484 HydrophobicContact CB-CE1 3.66Å; L477-F484 HydrophobicContact CB-CG 4.2Å; L477-F484 HydrophobicContact CD1-CD1 4.27Å; L477-F484 HydrophobicContact CD1-CE1 4.07Å; L477-F484 HydrophobicContact CD1-CZ 4.2Å; L477-F484 HydrophobicContact CG-CD1 4.45Å
478	L	94.1	Very high	94.3	Very high	52 Å²	52	53.6 Å²	53.6	27%	0.272	25%	0.254	S	S	.	.	H	α-helix	trans	-65.8	-23.8	178.1	-71.3	173.7	0	0	0	113.3	M474 R475 T476 F484 R485 V488	M474-L478 HydrophobicContact CG-CD1 4.01Å; M474-L478 HydrophobicContact CG-CG 4.42Å; M474-L478 WeakPolarHBondContact O-CB 3.31Å; M474-L478 VanDerWaalsContact O-CG 3.32Å; M474-L478 WeakPolarHBondContact O-CG 3.07Å; M474-L478 PolarHBondContact O-N 2.88Å; R475-L478 PolarHBondContact O-N 2.67Å; T476-L478 PolarHBondContact O-N 2.68Å; L478-F484 HydrophobicContact CD2-CD1 4.04Å; L478-F484 HydrophobicContact CD2-CE1 3.9Å; L478-F484 HydrophobicContact CG-CD1 4.41Å; L478-F484 HydrophobicContact CG-CE1 4.05Å; L478-R485 VanDerWaalsContact O-CZ 3.32Å; L478-R485 PolarHBondContact O-NE 3.34Å; L478-R485 PolarHBondContact O-NH2 3.43Å; L478-V488 HydrophobicContact CD2-CB 4.03Å; L478-V488 HydrophobicContact CD2-CG1 4.16Å; L478-V488 HydrophobicContact CD2-CG2 4.16Å
479	R	94.3	Very high	94.6	Very high	142 Å²	142	51 Å²	51	54%	0.536	25%	0.247	S	C	.	.	H	α-helix	trans	-83.1	-45.2	174.8	-171.4	-173.4	61.7	-131.6	-10.2	112.2	R475 T476 L477 R485	R475-R479 WeakPolarHBondContact O-CB 3.16Å; R475-R479 PolarHBondContact O-N 3.05Å; T476-R479 PolarHBondContact O-N 2.99Å; L477-R479 PolarHBondContact O-N 2.93Å; R479-R485 PolarHBondContact O-NH2 2.99Å
480	D	94.4	Very high	94.8	Very high	105 Å²	105	50.1 Å²	50.1	56%	0.561	24%	0.235	S	C	*	.	H	α-helix	trans	-109.8	-14.3	-163.4	-55.8	-23.6	0	0	0	114.2	T476 L477	T476-D480 WeakPolarHBondContact O-CB 3.31Å; T476-D480 PolarHBondContact O-N 2.78Å; L477-D480 PolarHBondContact O-N 3.44Å
481	N	94.1	Very high	94.8	Very high	17 Å²	17	50 Å²	50	9%	0.091	23%	0.234	C	C	.	.			trans	-116.8	99.3	-178.5	-173.6	-33.6	0	0	0	110.9	D402 L477 P483 F484 R485	D402-N481 PolarHBondContact OD2-ND2 2.93Å; L477-N481 HydrophobicContact CD2-CB 4.24Å; L477-N481 WeakPolarHBondContact O-CA 3.48Å; L477-N481 VanDerWaalsContact O-CB 3.31Å; L477-N481 WeakPolarHBondContact O-CB 3.38Å; L477-N481 PolarHBondContact O-N 2.87Å; N481-P483 WeakPolarHBondContact OD1-CD 3.26Å; N481-F484 HydrophobicContact CB-CB 3.96Å; N481-F484 PolarHBondContact O-N 3.47Å; N481-F484 WeakPolarHBondContact OD1-CB 3.38Å; N481-F484 PolarHBondContact OD1-N 3.3Å; N481-R485 PolarHBondContact O-N 2.91Å
482	E	94.7	Very high	94.9	Very high	107 Å²	107	50.8 Å²	50.8	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-65.4	-45.4	-179	175	159.3	-132.2	0	0	113.8	L302 F484 R485 T486	L302-E482 HydrophobicContact CD2-CG 4.28Å; E482-F484 VanDerWaalsContact C-N 3.32Å; E482-F484 PolarHBondContact O-N 2.97Å; E482-R485 WeakPolarHBondContact O-CB 3.45Å; E482-R485 PolarHBondContact O-N 2.51Å; E482-R485 VanDerWaalsContact O-N 3.14Å; E482-T486 PolarHBondContact O-N 3.07Å; E482-T486 PolarHBondContact O-OG1 3.03Å
483	P	94.9	Very high	94.9	Very high	21 Å²	21	51.8 Å²	51.8	14%	0.136	25%	0.25	C	C	.	.	H	α-helix	trans	-52.9	-45.3	171	-29.6	36.5	0	0	0	113.4	L302 L305 L400 N481 T486 Y487	L302-P483 HydrophobicContact CD1-CB 4.46Å; L302-P483 HydrophobicContact CD1-CG 4.33Å; L305-P483 HydrophobicContact CD2-CB 3.85Å; L305-P483 WeakPolarHBondContact CD2-O 3.45Å; L400-P483 HydrophobicContact CD2-CB 3.65Å; N481-P483 WeakPolarHBondContact OD1-CD 3.26Å; P483-T486 PolarHBondContact O-N 3.16Å; P483-Y487 PolarHBondContact O-N 2.72Å
484	F	96.3	Very high	94.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.8	-41.8	176.9	-179.9	-104.4	0	0	0	112	L400 V403 L408 L477 L478 N481 E482 T486 Y487 V488	L400-F484 HydrophobicContact CD2-CB 4.24Å; V403-F484 HydrophobicContact CB-CD2 4.48Å; V403-F484 HydrophobicContact CG1-CD2 3.98Å; V403-F484 HydrophobicContact CG1-CE2 3.86Å; V403-F484 HydrophobicContact CG2-CB 4.19Å; V403-F484 HydrophobicContact CG2-CD2 3.74Å; V403-F484 HydrophobicContact CG2-CE2 4.46Å; V403-F484 HydrophobicContact CG2-CG 4.15Å; L408-F484 HydrophobicContact CD1-CZ 3.88Å; L408-F484 HydrophobicContact CD2-CE2 3.48Å; L408-F484 VanDerWaalsContact CD2-CE2 3.48Å; L408-F484 HydrophobicContact CD2-CZ 3.52Å; L408-F484 HydrophobicContact CG-CZ 4.38Å; L477-F484 HydrophobicContact CB-CD1 3.45Å; L477-F484 VanDerWaalsContact CB-CD1 3.45Å; L477-F484 HydrophobicContact CB-CE1 3.66Å; L477-F484 HydrophobicContact CB-CG 4.2Å; L477-F484 HydrophobicContact CD1-CD1 4.27Å; L477-F484 HydrophobicContact CD1-CE1 4.07Å; L477-F484 HydrophobicContact CD1-CZ 4.2Å; L477-F484 HydrophobicContact CG-CD1 4.45Å; L478-F484 HydrophobicContact CD2-CD1 4.04Å; L478-F484 HydrophobicContact CD2-CE1 3.9Å; L478-F484 HydrophobicContact CG-CD1 4.41Å; L478-F484 HydrophobicContact CG-CE1 4.05Å; N481-F484 HydrophobicContact CB-CB 3.96Å; N481-F484 PolarHBondContact O-N 3.47Å; N481-F484 WeakPolarHBondContact OD1-CB 3.38Å; N481-F484 PolarHBondContact OD1-N 3.3Å; E482-F484 VanDerWaalsContact C-N 3.32Å; E482-F484 PolarHBondContact O-N 2.97Å; F484-T486 VanDerWaalsContact C-N 3.32Å; F484-T486 PolarHBondContact O-N 2.8Å; F484-Y487 HydrophobicContact CD2-CD1 4.37Å; F484-Y487 HydrophobicContact CE2-CD1 4.39Å; F484-Y487 PolarHBondContact O-N 3.17Å; F484-V488 HydrophobicContact CD1-CG2 4.13Å; F484-V488 HydrophobicContact CD2-CG2 4.27Å; F484-V488 HydrophobicContact CE1-CG2 3.63Å; F484-V488 HydrophobicContact CE2-CG2 3.75Å; F484-V488 HydrophobicContact CG-CG2 4.45Å; F484-V488 HydrophobicContact CZ-CG2 3.41Å; F484-V488 VanDerWaalsContact CZ-CG2 3.41Å; F484-V488 PolarHBondContact O-N 3.42Å
485	R	96	Very high	94.3	Very high	94 Å²	94	62.1 Å²	62.1	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-57.7	-43.5	173.1	-174.6	-168.4	-62.5	141.7	3.2	111.6	L478 R479 N481 E482 T489	L478-R485 VanDerWaalsContact O-CZ 3.32Å; L478-R485 PolarHBondContact O-NE 3.34Å; L478-R485 PolarHBondContact O-NH2 3.43Å; R479-R485 PolarHBondContact O-NH2 2.99Å; N481-R485 PolarHBondContact O-N 2.91Å; E482-R485 WeakPolarHBondContact O-CB 3.45Å; E482-R485 PolarHBondContact O-N 2.51Å; E482-R485 VanDerWaalsContact O-N 3.14Å; R485-T489 VanDerWaalsContact O-CB 3.29Å; R485-T489 WeakPolarHBondContact O-CB 3.41Å; R485-T489 PolarHBondContact O-N 3.08Å; R485-T489 PolarHBondContact O-OG1 3.08Å
486	T	96	Very high	93.8	Very high	35 Å²	35	61.8 Å²	61.8	22%	0.215	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-44.3	175.4	-60	0	0	0	0	111.5	L302 Q306 L309 E482 P483 F484 T489 W490	L302-T486 HydrophobicContact CD1-CG2 4.43Å; Q306-T486 HydrophobicContact CG-CG2 4.15Å; L309-T486 HydrophobicContact CD1-CG2 4.23Å; E482-T486 PolarHBondContact O-N 3.07Å; E482-T486 PolarHBondContact O-OG1 3.03Å; P483-T486 PolarHBondContact O-N 3.16Å; F484-T486 VanDerWaalsContact C-N 3.32Å; F484-T486 PolarHBondContact O-N 2.8Å; T486-T489 PolarHBondContact O-N 3.22Å; T486-W490 WeakPolarHBondContact O-CB 3.46Å; T486-W490 PolarHBondContact O-N 3.12Å
487	Y	96.3	Very high	93.3	Very high	1 Å²	1	59.7 Å²	59.7	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-61.5	-49.8	176.7	170.4	-120	0	0	0	113.1	L309 L386 F387 G390 L391 L394 L400 P483 F484 T489 W490 A491	L309-Y487 HydrophobicContact CD2-CD2 3.74Å; L309-Y487 HydrophobicContact CD2-CE2 4.34Å; L386-Y487 PolarHBondContact O-OH 3.33Å; F387-Y487 WeakPolarHBondContact CA-OH 3.31Å; F387-Y487 PolarHBondContact O-OH 3.39Å; G390-Y487 WeakPolarHBondContact CA-OH 3.42Å; L391-Y487 HydrophobicContact CB-CE1 3.97Å; L391-Y487 PolarHBondContact N-OH 3.46Å; L391-Y487 VanDerWaalsContact N-OH 3.09Å; L394-Y487 HydrophobicContact CD1-CD2 3.55Å; L394-Y487 HydrophobicContact CD1-CE2 3.82Å; L394-Y487 HydrophobicContact CD1-CG 3.98Å; L400-Y487 HydrophobicContact CD1-CD1 3.86Å; L400-Y487 HydrophobicContact CD1-CG 3.86Å; P483-Y487 PolarHBondContact O-N 2.72Å; F484-Y487 HydrophobicContact CD2-CD1 4.37Å; F484-Y487 HydrophobicContact CE2-CD1 4.39Å; F484-Y487 PolarHBondContact O-N 3.17Å; Y487-T489 VanDerWaalsContact C-N 3.34Å; Y487-T489 PolarHBondContact O-N 3.23Å; Y487-W490 AromaticContact CD2-CE3 3.97Å; Y487-W490 HydrophobicContact CD2-CE3 3.97Å; Y487-W490 HydrophobicContact CD2-CZ3 4.37Å; Y487-W490 AromaticContact CE2-CE3 3.85Å; Y487-W490 HydrophobicContact CE2-CE3 3.85Å; Y487-W490 AromaticContact CE2-CZ3 3.82Å; Y487-W490 HydrophobicContact CE2-CZ3 3.82Å; Y487-W490 WeakPolarHBondContact O-CB 3.43Å; Y487-W490 PolarHBondContact O-N 3.22Å; Y487-A491 PolarHBondContact O-N 3.33Å
488	V	95.9	Very high	92.8	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.018	32%	0.315	C	S	.	.	H	α-helix	trans	-63.8	-41.1	178.8	175.5	0	0	0	0	110.9	F387 L478 F484 W490 A491 E492 L502	F387-V488 HydrophobicContact CE1-CG1 4.5Å; L478-V488 HydrophobicContact CD2-CB 4.03Å; L478-V488 HydrophobicContact CD2-CG1 4.16Å; L478-V488 HydrophobicContact CD2-CG2 4.16Å; F484-V488 HydrophobicContact CD1-CG2 4.13Å; F484-V488 HydrophobicContact CD2-CG2 4.27Å; F484-V488 HydrophobicContact CE1-CG2 3.63Å; F484-V488 HydrophobicContact CE2-CG2 3.75Å; F484-V488 HydrophobicContact CG-CG2 4.45Å; F484-V488 HydrophobicContact CZ-CG2 3.41Å; F484-V488 VanDerWaalsContact CZ-CG2 3.41Å; F484-V488 PolarHBondContact O-N 3.42Å; V488-W490 VanDerWaalsContact C-N 3.34Å; V488-W490 PolarHBondContact O-N 3.26Å; V488-A491 PolarHBondContact O-N 2.9Å; V488-E492 HydrophobicContact CG1-CG 4.22Å; V488-E492 WeakPolarHBondContact O-CB 3.29Å; V488-E492 WeakPolarHBondContact O-CG 3.19Å; V488-E492 PolarHBondContact O-N 2.75Å; V488-L502 HydrophobicContact CG1-CB 4.29Å; V488-L502 HydrophobicContact CG1-CD2 4.47Å; V488-L502 HydrophobicContact CG2-CD2 4.3Å
489	T	95	Very high	92.5	Very high	82 Å²	82	74.2 Å²	74.2	50%	0.503	35%	0.347	S	S	.	.	H	α-helix	trans	-60.7	-43.4	176.8	-55.4	0	0	0	0	111.3	R485 T486 Y487 T493	R485-T489 VanDerWaalsContact O-CB 3.29Å; R485-T489 WeakPolarHBondContact O-CB 3.41Å; R485-T489 PolarHBondContact O-N 3.08Å; R485-T489 PolarHBondContact O-OG1 3.08Å; T486-T489 PolarHBondContact O-N 3.22Å; Y487-T489 VanDerWaalsContact C-N 3.34Å; Y487-T489 PolarHBondContact O-N 3.23Å; T489-T493 WeakPolarHBondContact O-CG2 3.32Å; T489-T493 PolarHBondContact O-N 3.1Å
490	W	95.1	Very high	92.2	Very high	41 Å²	41	69.6 Å²	69.6	16%	0.155	33%	0.332	C	S	.	.	H	α-helix	trans	-60.4	-49.5	174.3	169	88.1	0	0	0	111.7	L309 Y312 S313 L317 L386 T486 Y487 V488 E492 T493	L309-W490 HydrophobicContact CB-CD2 4.12Å; L309-W490 HydrophobicContact CB-CG 3.99Å; L309-W490 HydrophobicContact CD1-CB 3.92Å; L309-W490 HydrophobicContact CD1-CD2 4.42Å; L309-W490 HydrophobicContact CD1-CG 4.02Å; L309-W490 HydrophobicContact CD2-CD2 3.85Å; L309-W490 HydrophobicContact CD2-CE3 3.81Å; L309-W490 HydrophobicContact CD2-CG 4.32Å; L309-W490 HydrophobicContact CD2-CZ3 4.23Å; L309-W490 HydrophobicContact CG-CD2 4.32Å; L309-W490 HydrophobicContact CG-CG 4.31Å; L309-W490 PolarHBondContact O-NE1 2.92Å; L309-W490 VanDerWaalsContact O-NE1 3.14Å; Y312-W490 HydrophobicContact CD2-CH2 4.18Å; Y312-W490 HydrophobicContact CD2-CZ2 4.48Å; S313-W490 PolarHBondContact OG-NE1 3.17Å; L317-W490 HydrophobicContact CD2-CH2 4.12Å; L386-W490 HydrophobicContact CD1-CH2 4.31Å; L386-W490 HydrophobicContact CD1-CZ3 4.16Å; T486-W490 WeakPolarHBondContact O-CB 3.46Å; T486-W490 PolarHBondContact O-N 3.12Å; Y487-W490 AromaticContact CD2-CE3 3.97Å; Y487-W490 HydrophobicContact CD2-CE3 3.97Å; Y487-W490 HydrophobicContact CD2-CZ3 4.37Å; Y487-W490 AromaticContact CE2-CE3 3.85Å; Y487-W490 HydrophobicContact CE2-CE3 3.85Å; Y487-W490 AromaticContact CE2-CZ3 3.82Å; Y487-W490 HydrophobicContact CE2-CZ3 3.82Å; Y487-W490 WeakPolarHBondContact O-CB 3.43Å; Y487-W490 PolarHBondContact O-N 3.22Å; V488-W490 VanDerWaalsContact C-N 3.34Å; V488-W490 PolarHBondContact O-N 3.26Å; W490-E492 VanDerWaalsContact C-N 3.34Å; W490-E492 PolarHBondContact O-N 3Å; W490-T493 WeakPolarHBondContact O-CB 3.34Å; W490-T493 PolarHBondContact O-N 3.44Å; W490-T493 VanDerWaalsContact O-N 3.08Å; W490-T493 PolarHBondContact O-OG1 2.93Å
491	A	93.3	Very high	92.2	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.008	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-37.5	-179.1	0	0	0	0	0	112.3	L386 F387 Y487 V488 T493 H494 C497	L386-A491 HydrophobicContact CD2-CB 4.4Å; L386-A491 HydrophobicContact CG-CB 4.29Å; F387-A491 HydrophobicContact CD1-CB 3.68Å; F387-A491 HydrophobicContact CE1-CB 3.33Å; F387-A491 HydrophobicContact CG-CB 4.45Å; F387-A491 HydrophobicContact CZ-CB 3.84Å; Y487-A491 PolarHBondContact O-N 3.33Å; V488-A491 PolarHBondContact O-N 2.9Å; A491-T493 PolarHBondContact O-N 3.46Å; A491-H494 VanDerWaalsContact O-CB 3.29Å; A491-H494 WeakPolarHBondContact O-CB 3.48Å; A491-H494 PolarHBondContact O-N 3.04Å; A491-C497 PolarHBondContact O-SG 3.13Å
492	E	94.4	Very high	92.1	Very high	47 Å²	47	69.6 Å²	69.6	22%	0.22	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-19.1	175	-73.6	-176	177.5	0	0	113.5	F387 V488 W490 H494 K501 L502	F387-E492 HydrophobicContact CE1-CG 4.3Å; F387-E492 HydrophobicContact CZ-CG 4.14Å; V488-E492 HydrophobicContact CG1-CG 4.22Å; V488-E492 WeakPolarHBondContact O-CB 3.29Å; V488-E492 WeakPolarHBondContact O-CG 3.19Å; V488-E492 PolarHBondContact O-N 2.75Å; W490-E492 VanDerWaalsContact C-N 3.34Å; W490-E492 PolarHBondContact O-N 3Å; E492-H494 VanDerWaalsContact C-N 3.33Å; E492-K501 WeakPolarHBondContact OE1-CA 3.22Å; E492-K501 WeakPolarHBondContact OE1-CB 3.42Å; E492-L502 PolarHBondContact OE1-N 3.49Å
493	T	92.1	Very high	91.9	Very high	105 Å²	105	65.9 Å²	65.9	64%	0.644	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-14.8	171.7	71.8	0	0	0	0	114.2	T489 W490 A491	T489-T493 WeakPolarHBondContact O-CG2 3.32Å; T489-T493 PolarHBondContact O-N 3.1Å; W490-T493 WeakPolarHBondContact O-CB 3.34Å; W490-T493 PolarHBondContact O-N 3.44Å; W490-T493 VanDerWaalsContact O-N 3.08Å; W490-T493 PolarHBondContact O-OG1 2.93Å; A491-T493 PolarHBondContact O-N 3.46Å
494	H	89.8	Confident	91.8	Very high	84 Å²	84	68.4 Å²	68.4	39%	0.389	33%	0.327	S	S	.	.	S	Bend	trans	-66.9	137.2	-174.5	-159.3	-120.4	0	0	0	111.5	L386 A491 E492 Q496 C497	L386-H494 HydrophobicContact CD1-CB 4.28Å; L386-H494 HydrophobicContact CD2-CB 3.59Å; A491-H494 VanDerWaalsContact O-CB 3.29Å; A491-H494 WeakPolarHBondContact O-CB 3.48Å; A491-H494 PolarHBondContact O-N 3.04Å; E492-H494 VanDerWaalsContact C-N 3.33Å; H494-Q496 PolarHBondContact CE1-OE1 2.9Å; H494-Q496 PolarHBondContact ND1-OE1 3.41Å; H494-Q496 PolarHBondContact O-N 3.04Å; H494-Q496 VanDerWaalsContact O-N 3.12Å; H494-C497 VanDerWaalsContact O-CB 3.23Å; H494-C497 WeakPolarHBondContact O-CB 3.06Å; H494-C497 PolarHBondContact O-N 3.16Å
495	K	87.5	Confident	91.6	Very high	192 Å²	192	68.7 Å²	68.7	84%	0.835	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-56.9	-36.1	-172.4	-67.7	-172.7	-176.3	-178.3	0	113.2	C497 N498	K495-C497 PolarHBondContact O-N 3Å; K495-N498 PolarHBondContact O-N 3.04Å; K495-N498 VanDerWaalsContact O-N 3.1Å
496	Q	84.6	Confident	91.5	Very high	109 Å²	109	64.2 Å²	64.2	51%	0.509	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-59.9	-26.3	177.2	-69.4	170.8	-40.6	0	0	113.4	V382 H494 N498	V382-Q496 HydrophobicContact CG1-CB 4.32Å; V382-Q496 HydrophobicContact CG2-CB 3.91Å; H494-Q496 PolarHBondContact CE1-OE1 2.9Å; H494-Q496 PolarHBondContact ND1-OE1 3.41Å; H494-Q496 PolarHBondContact O-N 3.04Å; H494-Q496 VanDerWaalsContact O-N 3.12Å; Q496-N498 PolarHBondContact O-N 3.39Å; Q496-N498 PolarHBondContact O-ND2 3.32Å
497	C	85	Confident	91.2	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.007	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-67.3	-18.8	177.5	-60	0	0	0	0	112.9	L386 A491 H494 K495 R499 L500 M505	L386-C497 WeakPolarHBondContact CD2-SG 3.39Å; A491-C497 PolarHBondContact O-SG 3.13Å; H494-C497 VanDerWaalsContact O-CB 3.23Å; H494-C497 WeakPolarHBondContact O-CB 3.06Å; H494-C497 PolarHBondContact O-N 3.16Å; K495-C497 PolarHBondContact O-N 3Å; C497-R499 PolarHBondContact O-N 3.16Å; C497-R499 VanDerWaalsContact O-N 3.15Å; C497-L500 VanDerWaalsContact O-CB 3.29Å; C497-L500 WeakPolarHBondContact O-CB 3.32Å; C497-L500 PolarHBondContact O-N 3.22Å; C497-M505 HydrophobicContact CB-CE 3.59Å
498	N	85.7	Confident	91.1	Very high	121 Å²	121	65.1 Å²	65.1	65%	0.647	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	39.2	177.7	-71.3	-79.4	0	0	0	113.4	K495 Q496 L500	K495-N498 PolarHBondContact O-N 3.04Å; K495-N498 VanDerWaalsContact O-N 3.1Å; Q496-N498 PolarHBondContact O-N 3.39Å; Q496-N498 PolarHBondContact O-ND2 3.32Å; N498-L500 PolarHBondContact O-N 2.92Å
499	R	86.6	Confident	91	Very high	251 Å²	251	65 Å²	65	95%	0.947	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	11.4	-175.6	-51.7	178.6	179.2	170.5	-0	115.9	C497	C497-R499 PolarHBondContact O-N 3.16Å; C497-R499 VanDerWaalsContact O-N 3.15Å
500	L	88.9	Confident	90.8	Very high	45 Å²	45	61.3 Å²	61.3	24%	0.236	29%	0.293	C	S	.	.			trans	-80.6	143.6	170.9	-65	162.5	0	0	0	110.7	C497 N498 D504 M505 K508	C497-L500 VanDerWaalsContact O-CB 3.29Å; C497-L500 WeakPolarHBondContact O-CB 3.32Å; C497-L500 PolarHBondContact O-N 3.22Å; N498-L500 PolarHBondContact O-N 2.92Å; L500-D504 HydrophobicContact CB-CB 4.4Å; L500-D504 HydrophobicContact CD2-CB 4.08Å; L500-M505 HydrophobicContact CB-CE 3.91Å; L500-M505 HydrophobicContact CB-CG 4.23Å; L500-K508 VanDerWaalsContact CD1-CE 3.45Å
501	K	93.1	Very high	90.7	Very high	119 Å²	119	62.6 Å²	62.6	52%	0.517	30%	0.3	S	S	.	.			trans	-81.6	160.5	170.6	-60.8	-159.3	170.9	-162.2	0	112	E492 A503 D504 M505	E492-K501 WeakPolarHBondContact OE1-CA 3.22Å; E492-K501 WeakPolarHBondContact OE1-CB 3.42Å; K501-A503 PolarHBondContact O-N 3.17Å; K501-D504 VanDerWaalsContact CB-OD2 3.32Å; K501-D504 WeakPolarHBondContact CB-OD2 3.43Å; K501-D504 PolarHBondContact N-OD2 3.04Å; K501-D504 WeakPolarHBondContact O-CA 3.49Å; K501-D504 WeakPolarHBondContact O-CB 3.5Å; K501-D504 PolarHBondContact O-N 2.67Å; K501-M505 WeakPolarHBondContact O-CG 3.19Å; K501-M505 PolarHBondContact O-N 3.39Å
502	L	92.9	Very high	90.8	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-55.2	-42.1	174.4	177.5	57.4	0	0	0	111.2	I383 F387 F409 M474 V488 E492 D504 M505 L506	I383-L502 HydrophobicContact CG2-CD1 4.49Å; F387-L502 HydrophobicContact CB-CD1 4.2Å; F387-L502 HydrophobicContact CD1-CB 4.29Å; F387-L502 HydrophobicContact CD1-CD1 3.94Å; F387-L502 HydrophobicContact CD1-CD2 3.96Å; F387-L502 HydrophobicContact CD1-CG 4.28Å; F387-L502 HydrophobicContact CD2-CD1 4.2Å; F387-L502 HydrophobicContact CE1-CB 3.91Å; F387-L502 HydrophobicContact CE1-CD1 4.3Å; F387-L502 HydrophobicContact CE1-CD2 4.35Å; F387-L502 HydrophobicContact CE1-CG 4.41Å; F387-L502 HydrophobicContact CG-CD1 3.88Å; F387-L502 HydrophobicContact CZ-CB 4.27Å; F409-L502 HydrophobicContact CE1-CD1 4.16Å; M474-L502 HydrophobicContact SD-CB 4.45Å; M474-L502 HydrophobicContact SD-CD2 4.05Å; M474-L502 HydrophobicContact SD-CG 3.98Å; V488-L502 HydrophobicContact CG1-CB 4.29Å; V488-L502 HydrophobicContact CG1-CD2 4.47Å; V488-L502 HydrophobicContact CG2-CD2 4.3Å; E492-L502 PolarHBondContact OE1-N 3.49Å; L502-D504 VanDerWaalsContact C-N 3.32Å; L502-D504 PolarHBondContact O-N 3.38Å; L502-M505 WeakPolarHBondContact O-CB 3.47Å; L502-M505 PolarHBondContact O-N 3.04Å; L502-L506 HydrophobicContact CD1-CD1 4.15Å; L502-L506 HydrophobicContact CD1-CG 4.06Å; L502-L506 HydrophobicContact CG-CD1 4.05Å; L502-L506 HydrophobicContact CG-CG 4.4Å; L502-L506 WeakPolarHBondContact O-CG 3.5Å; L502-L506 PolarHBondContact O-N 2.87Å
503	A	91.4	Very high	90.9	Very high	30 Å²	30	61.1 Å²	61.1	25%	0.248	29%	0.292	C	S	.	.	H	α-helix	trans	-55.5	-43.3	172.7	0	0	0	0	0	113.3	M471 M474 K501 M505 A507	M471-A503 HydrophobicContact CE-CB 4.09Å; M474-A503 HydrophobicContact CE-CB 3.65Å; M474-A503 HydrophobicContact SD-CB 4.49Å; K501-A503 PolarHBondContact O-N 3.17Å; A503-M505 PolarHBondContact O-N 3.42Å; A503-A507 PolarHBondContact O-N 3.26Å
504	D	91.8	Very high	91	Very high	74 Å²	74	57.7 Å²	57.7	40%	0.396	27%	0.271	S	S	.	.	H	α-helix	trans	-72.1	-20.9	178.9	-54	-43.6	0	0	0	112.1	L500 K501 L502 K508	L500-D504 HydrophobicContact CB-CB 4.4Å; L500-D504 HydrophobicContact CD2-CB 4.08Å; K501-D504 VanDerWaalsContact CB-OD2 3.32Å; K501-D504 WeakPolarHBondContact CB-OD2 3.43Å; K501-D504 PolarHBondContact N-OD2 3.04Å; K501-D504 WeakPolarHBondContact O-CA 3.49Å; K501-D504 WeakPolarHBondContact O-CB 3.5Å; K501-D504 PolarHBondContact O-N 2.67Å; L502-D504 VanDerWaalsContact C-N 3.32Å; L502-D504 PolarHBondContact O-N 3.38Å; D504-K508 VanDerWaalsContact O-CE 3.28Å; D504-K508 WeakPolarHBondContact O-CE 3.33Å; D504-K508 VanDerWaalsContact O-CG 3.24Å; D504-K508 WeakPolarHBondContact O-CG 3.34Å; D504-K508 PolarHBondContact O-NZ 2.95Å
505	M	92.6	Very high	91.3	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.025	28%	0.275	C	S	.	.	H	α-helix	trans	-82.8	-44	174.7	-62	-172	-160.8	0	0	112.2	V382 I383 F387 C497 L500 K501 L502 A503 A507 K508	V382-M505 HydrophobicContact CB-SD 4.42Å; V382-M505 HydrophobicContact CG1-CE 4.17Å; V382-M505 HydrophobicContact CG1-SD 4.08Å; I383-M505 HydrophobicContact CD1-CB 3.87Å; I383-M505 HydrophobicContact CG1-CB 3.87Å; I383-M505 HydrophobicContact CG1-SD 4.24Å; F387-M505 HydrophobicContact CD2-SD 4.46Å; F387-M505 HydrophobicContact CE2-CE 3.9Å; F387-M505 HydrophobicContact CE2-SD 3.87Å; F387-M505 HydrophobicContact CZ-CE 4.37Å; C497-M505 HydrophobicContact CB-CE 3.59Å; L500-M505 HydrophobicContact CB-CE 3.91Å; L500-M505 HydrophobicContact CB-CG 4.23Å; K501-M505 WeakPolarHBondContact O-CG 3.19Å; K501-M505 PolarHBondContact O-N 3.39Å; L502-M505 WeakPolarHBondContact O-CB 3.47Å; L502-M505 PolarHBondContact O-N 3.04Å; A503-M505 PolarHBondContact O-N 3.42Å; M505-A507 PolarHBondContact O-N 3.44Å; M505-K508 VanDerWaalsContact O-CB 3.28Å; M505-K508 WeakPolarHBondContact O-CB 3.35Å; M505-K508 WeakPolarHBondContact O-CG 3.33Å; M505-K508 PolarHBondContact O-N 3.3Å
506	L	93.1	Very high	91.8	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-25.9	179.6	-68.8	173.5	0	0	0	113	I383 F409 Y463 M471 M474 L502 K508 P509	I383-L506 HydrophobicContact CG2-CD2 4.05Å; F409-L506 HydrophobicContact CD1-CD2 4.26Å; Y463-L506 PolarHBondContact OH-O 3.46Å; M471-L506 HydrophobicContact SD-CB 4.12Å; M471-L506 HydrophobicContact SD-CD1 4.44Å; M474-L506 HydrophobicContact SD-CD1 3.93Å; L502-L506 HydrophobicContact CD1-CD1 4.15Å; L502-L506 HydrophobicContact CD1-CG 4.06Å; L502-L506 HydrophobicContact CG-CD1 4.05Å; L502-L506 HydrophobicContact CG-CG 4.4Å; L502-L506 WeakPolarHBondContact O-CG 3.5Å; L502-L506 PolarHBondContact O-N 2.87Å; L506-K508 VanDerWaalsContact C-N 3.3Å; L506-K508 PolarHBondContact O-N 3.03Å; L506-P509 VanDerWaalsContact O-CD 3.31Å; L506-P509 WeakPolarHBondContact O-CD 3.5Å
507	A	91	Very high	92.4	Very high	21 Å²	21	45 Å²	45	17%	0.174	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-7.1	171.5	0	0	0	0	0	114.4	A503 M505 Q511	A503-A507 PolarHBondContact O-N 3.26Å; M505-A507 PolarHBondContact O-N 3.44Å; A507-Q511 VanDerWaalsContact O-CG 3.31Å; A507-Q511 WeakPolarHBondContact O-CG 3.43Å; A507-Q511 PolarHBondContact O-N 2.91Å
508	K	92.7	Very high	93	Very high	33 Å²	33	50 Å²	50	14%	0.143	24%	0.24	C	C	.	.	H	α-helix	trans	-71.9	-33.8	-174.5	-62.8	-167	-168.3	-41.1	0	115.6	Y376 K379 L500 D504 M505 L506 Q511 R512	Y376-K508 HydrophobicContact CE2-CB 3.99Å; K379-K508 HydrophobicContact CD-CD 4.5Å; L500-K508 VanDerWaalsContact CD1-CE 3.45Å; D504-K508 VanDerWaalsContact O-CE 3.28Å; D504-K508 WeakPolarHBondContact O-CE 3.33Å; D504-K508 VanDerWaalsContact O-CG 3.24Å; D504-K508 WeakPolarHBondContact O-CG 3.34Å; D504-K508 PolarHBondContact O-NZ 2.95Å; M505-K508 VanDerWaalsContact O-CB 3.28Å; M505-K508 WeakPolarHBondContact O-CB 3.35Å; M505-K508 WeakPolarHBondContact O-CG 3.33Å; M505-K508 PolarHBondContact O-N 3.3Å; L506-K508 VanDerWaalsContact C-N 3.3Å; L506-K508 PolarHBondContact O-N 3.03Å; K508-Q511 CarbonylContact O-C 3.54Å; K508-Q511 PolarHBondContact O-N 3.05Å; K508-R512 PolarHBondContact O-N 3.26Å
509	P	95.1	Very high	93.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-50.5	174.8	-26.5	37.1	0	0	0	112.3	Y376 L380 I412 I415 Y460 Y463 L506 Q511 R512 L513	Y376-P509 WeakPolarHBondContact OH-CA 3.35Å; L380-P509 HydrophobicContact CD2-CG 4.23Å; I412-P509 HydrophobicContact CD1-CG 3.71Å; I415-P509 HydrophobicContact CG2-CB 4.19Å; I415-P509 HydrophobicContact CG2-CG 4.32Å; Y460-P509 HydrophobicContact CE1-CB 3.57Å; Y460-P509 WeakPolarHBondContact CE1-O 3.41Å; Y463-P509 HydrophobicContact CD1-CB 3.89Å; Y463-P509 HydrophobicContact CD1-CG 4.28Å; Y463-P509 HydrophobicContact CE1-CB 3.72Å; Y463-P509 HydrophobicContact CE1-CG 3.68Å; Y463-P509 HydrophobicContact CE2-CG 4.44Å; L506-P509 VanDerWaalsContact O-CD 3.31Å; L506-P509 WeakPolarHBondContact O-CD 3.5Å; P509-Q511 VanDerWaalsContact C-N 3.26Å; P509-Q511 PolarHBondContact O-N 2.98Å; P509-R512 PolarHBondContact O-N 3.2Å; P509-L513 PolarHBondContact O-N 2.97Å
510	H	90.4	Very high	94.1	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-52.5	-46.1	174.1	-168.2	130.2	0	0	0	111.7	L52 E467 T514	L52-H510 WeakPolarHBondContact CA-NE2 3.38Å; L52-H510 VanDerWaalsContact CD2-CE1 3.42Å; L52-H510 WeakPolarHBondContact CD2-CE1 3.43Å; L52-H510 PolarHBondContact O-NE2 2.87Å; E467-H510 IonicContact OE1-CG 3.62Å; E467-H510 IonicContact OE1-ND1 3.49Å; E467-H510 IonicContact OE2-CE1 3.31Å; E467-H510 IonicContact OE2-CG 2.73Å; E467-H510 IonicContact OE2-ND1 2.74Å; E467-H510 PolarHBondContact OE2-ND1 2.68Å; H510-T514 PolarHBondContact O-N 3.42Å; H510-T514 PolarHBondContact O-OG1 3.28Å
511	Q	92.3	Very high	94.5	Very high	67 Å²	67	34.9 Å²	34.9	31%	0.313	17%	0.174	S	C	.	.	H	α-helix	trans	-66.7	-33	175.9	-67.2	172.2	14.6	0	0	113.4	A507 K508 P509 T514 K515	A507-Q511 VanDerWaalsContact O-CG 3.31Å; A507-Q511 WeakPolarHBondContact O-CG 3.43Å; A507-Q511 PolarHBondContact O-N 2.91Å; K508-Q511 CarbonylContact O-C 3.54Å; K508-Q511 PolarHBondContact O-N 3.05Å; P509-Q511 VanDerWaalsContact C-N 3.26Å; P509-Q511 PolarHBondContact O-N 2.98Å; Q511-T514 PolarHBondContact O-OG1 3.28Å; Q511-K515 WeakPolarHBondContact O-CG 3.49Å
512	R	96.8	Very high	94.7	Very high	18 Å²	18	30.7 Å²	30.7	7%	0.068	16%	0.16	C	C	.	.	H	α-helix	trans	-72.8	-44.4	177.4	-176.5	65.1	178.1	169.4	-1.9	111.1	L369 T372 E373 Y376 K508 P509 T514 K515 Y516	L369-R512 PolarHBondContact O-NH2 3.46Å; T372-R512 PolarHBondContact OG1-NH1 3.45Å; T372-R512 PolarHBondContact OG1-NH2 2.94Å; E373-R512 IonicContact OE2-CZ 3.16Å; E373-R512 IonicContact OE2-NE 2.66Å; E373-R512 PolarHBondContact OE2-NE 3.48Å; E373-R512 IonicContact OE2-NH2 3.11Å; E373-R512 PolarHBondContact OE2-NH2 3.14Å; Y376-R512 HydrophobicContact CD1-CB 4.17Å; Y376-R512 HydrophobicContact CD1-CG 3.63Å; Y376-R512 HydrophobicContact CD2-CB 4.3Å; Y376-R512 HydrophobicContact CE1-CB 3.81Å; Y376-R512 HydrophobicContact CE1-CG 3.56Å; Y376-R512 HydrophobicContact CE2-CB 3.97Å; Y376-R512 HydrophobicContact CE2-CG 4.49Å; Y376-R512 HydrophobicContact CG-CB 4.39Å; Y376-R512 HydrophobicContact CG-CG 4.12Å; K508-R512 PolarHBondContact O-N 3.26Å; P509-R512 PolarHBondContact O-N 3.2Å; R512-T514 VanDerWaalsContact C-N 3.29Å; R512-T514 PolarHBondContact O-N 2.96Å; R512-K515 WeakPolarHBondContact O-CB 3.41Å; R512-K515 PolarHBondContact O-N 3.28Å; R512-Y516 HydrophobicContact CG-CE2 3.77Å; R512-Y516 WeakPolarHBondContact CG-OH 3.37Å; R512-Y516 PolarHBondContact NE-OH 3.38Å; R512-Y516 WeakPolarHBondContact O-CD2 3.45Å
513	L	95.4	Very high	94.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-52.8	-48.1	179.1	-179.1	62.5	0	0	0	111.2	F453 F457 Y460 P509 K515 F546 I547	F453-L513 HydrophobicContact CE1-CD1 4.22Å; F453-L513 HydrophobicContact CZ-CD1 4.11Å; F457-L513 HydrophobicContact CD1-CD1 4.06Å; Y460-L513 HydrophobicContact CD1-CB 4.13Å; Y460-L513 HydrophobicContact CD1-CD2 3.89Å; Y460-L513 HydrophobicContact CD1-CG 4.41Å; Y460-L513 HydrophobicContact CE1-CB 3.97Å; Y460-L513 HydrophobicContact CG-CD1 4.44Å; Y460-L513 HydrophobicContact CG-CD2 4.22Å; P509-L513 PolarHBondContact O-N 2.97Å; L513-K515 PolarHBondContact O-N 2.67Å; L513-F546 HydrophobicContact CD1-CD1 4.16Å; L513-F546 HydrophobicContact CD1-CE1 3.98Å; L513-I547 HydrophobicContact CD1-CD1 4.38Å; L513-I547 HydrophobicContact CD1-CG1 3.94Å; L513-I547 HydrophobicContact CG-CD1 4.37Å; L513-I547 HydrophobicContact CG-CG1 4Å; L513-I547 VanDerWaalsContact O-CD1 3.32Å; L513-I547 WeakPolarHBondContact O-CD1 3.08Å
514	T	93.6	Very high	95.2	Very high	33 Å²	33	30.4 Å²	30.4	20%	0.202	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-7.5	178.4	54.2	0	0	0	0	114.8	L52 H510 Q511 R512	L52-T514 HydrophobicContact CB-CG2 3.97Å; H510-T514 PolarHBondContact O-N 3.42Å; H510-T514 PolarHBondContact O-OG1 3.28Å; Q511-T514 PolarHBondContact O-OG1 3.28Å; R512-T514 VanDerWaalsContact C-N 3.29Å; R512-T514 PolarHBondContact O-N 2.96Å
515	K	96.7	Very high	95.4	Very high	108 Å²	108	34.8 Å²	34.8	47%	0.47	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-27	177.5	-67.5	-79.6	170.2	-168.8	0	113.8	Q511 R512 L513 L518 L519	Q511-K515 WeakPolarHBondContact O-CG 3.49Å; R512-K515 WeakPolarHBondContact O-CB 3.41Å; R512-K515 PolarHBondContact O-N 3.28Å; L513-K515 PolarHBondContact O-N 2.67Å; K515-L518 HydrophobicContact CD-CD1 4.37Å; K515-L518 PolarHBondContact O-N 2.91Å; K515-L519 HydrophobicContact CB-CD1 4.21Å; K515-L519 WeakPolarHBondContact O-CG 3.44Å; K515-L519 PolarHBondContact O-N 3.36Å
516	Y	97.7	Very high	95.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.1	-43.3	-178.8	-65.9	-71.3	0	0	0	113.5	L369 E373 H419 F450 F453 F457 R512 L518 L519 L520	L369-Y516 HydrophobicContact CD1-CD1 4.02Å; L369-Y516 HydrophobicContact CD1-CE1 4.15Å; E373-Y516 VanDerWaalsContact CD-OH 3.25Å; E373-Y516 PolarHBondContact OE1-OH 3.39Å; E373-Y516 VanDerWaalsContact OE1-OH 3.06Å; E373-Y516 WeakPolarHBondContact OE2-CE1 3.34Å; E373-Y516 PolarHBondContact OE2-OH 3.37Å; H419-Y516 PolarHBondContact CE1-OH 2.88Å; H419-Y516 PolarHBondContact ND1-OH 3.25Å; F450-Y516 AromaticContact CE1-CD1 4Å; F450-Y516 HydrophobicContact CE1-CD1 4Å; F450-Y516 HydrophobicContact CZ-CD1 4.21Å; F453-Y516 AromaticContact CE2-CD2 3.9Å; F453-Y516 HydrophobicContact CE2-CD2 3.9Å; F453-Y516 HydrophobicContact CE2-CE2 4.27Å; F453-Y516 HydrophobicContact CE2-CG 4.04Å; F453-Y516 AromaticContact CZ-CD2 3.83Å; F453-Y516 HydrophobicContact CZ-CD2 3.83Å; F453-Y516 HydrophobicContact CZ-CE2 4.35Å; F453-Y516 HydrophobicContact CZ-CG 4.28Å; F457-Y516 HydrophobicContact CE1-CD2 4.35Å; F457-Y516 AromaticContact CE1-CE2 3.68Å; F457-Y516 HydrophobicContact CE1-CE2 3.68Å; F457-Y516 AromaticContact CZ-CE2 3.89Å; F457-Y516 HydrophobicContact CZ-CE2 3.89Å; R512-Y516 HydrophobicContact CG-CE2 3.77Å; R512-Y516 WeakPolarHBondContact CG-OH 3.37Å; R512-Y516 PolarHBondContact NE-OH 3.38Å; R512-Y516 WeakPolarHBondContact O-CD2 3.45Å; Y516-L518 VanDerWaalsContact C-N 3.29Å; Y516-L518 PolarHBondContact O-N 2.98Å; Y516-L519 PolarHBondContact O-N 3.39Å; Y516-L520 WeakPolarHBondContact O-CB 3.29Å; Y516-L520 WeakPolarHBondContact O-CG 3.15Å; Y516-L520 PolarHBondContact O-N 3.38Å
517	P	97.3	Very high	95.6	Very high	11 Å²	11	36.5 Å²	36.5	7%	0.071	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-36.5	174.4	-24.3	34	0	0	0	113.6	K521 L540 V543 E544 I547	P517-K521 WeakPolarHBondContact O-CB 3.31Å; P517-K521 WeakPolarHBondContact O-CD 3.28Å; P517-K521 WeakPolarHBondContact O-CG 3.46Å; P517-K521 PolarHBondContact O-N 3.39Å; P517-L540 HydrophobicContact CB-CD1 4.01Å; P517-V543 HydrophobicContact CG-CG1 3.85Å; P517-E544 HydrophobicContact CB-CG 3.91Å; P517-E544 WeakPolarHBondContact CB-OE1 3.38Å; P517-E544 HydrophobicContact CG-CG 3.99Å; P517-I547 HydrophobicContact CG-CD1 3.45Å; P517-I547 VanDerWaalsContact CG-CD1 3.45Å
518	L	97.3	Very high	95.7	Very high	104 Å²	104	39.9 Å²	39.9	55%	0.545	19%	0.192	S	C	.	.	H	α-helix	trans	-71.9	-39.8	-179.3	-57.4	-179.8	0	0	0	111.5	K515 Y516 S522	K515-L518 HydrophobicContact CD-CD1 4.37Å; K515-L518 PolarHBondContact O-N 2.91Å; Y516-L518 VanDerWaalsContact C-N 3.29Å; Y516-L518 PolarHBondContact O-N 2.98Å; L518-S522 WeakPolarHBondContact O-CB 3.5Å; L518-S522 PolarHBondContact O-N 2.93Å
519	L	97.9	Very high	95.7	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-67.5	-46.3	175.9	-67.8	162	0	0	0	110.9	E368 L369 K515 Y516 K521 S522 I523	E368-L519 HydrophobicContact CB-CD2 4.32Å; E368-L519 HydrophobicContact CG-CD2 3.69Å; L369-L519 HydrophobicContact CD1-CB 4.22Å; L369-L519 HydrophobicContact CD1-CD1 3.86Å; K515-L519 HydrophobicContact CB-CD1 4.21Å; K515-L519 WeakPolarHBondContact O-CG 3.44Å; K515-L519 PolarHBondContact O-N 3.36Å; Y516-L519 PolarHBondContact O-N 3.39Å; L519-K521 PolarHBondContact O-N 3.34Å; L519-S522 VanDerWaalsContact O-CB 3.27Å; L519-S522 WeakPolarHBondContact O-CB 3.49Å; L519-S522 PolarHBondContact O-N 2.77Å; L519-S522 VanDerWaalsContact O-N 3.14Å; L519-I523 WeakPolarHBondContact O-CG1 3.37Å; L519-I523 PolarHBondContact O-N 3.05Å
520	L	97.8	Very high	95.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-39.3	174.7	-68.6	173.9	0	0	0	112	F450 Y516 S522 I523 L524 M539 L540 V543	F450-L520 HydrophobicContact CD1-CD1 4.09Å; F450-L520 HydrophobicContact CE1-CD1 4.2Å; Y516-L520 WeakPolarHBondContact O-CB 3.29Å; Y516-L520 WeakPolarHBondContact O-CG 3.15Å; Y516-L520 PolarHBondContact O-N 3.38Å; L520-S522 VanDerWaalsContact C-N 3.32Å; L520-S522 PolarHBondContact O-N 2.92Å; L520-I523 PolarHBondContact O-N 3.38Å; L520-L524 VanDerWaalsContact O-CB 3.29Å; L520-L524 WeakPolarHBondContact O-CB 3.47Å; L520-L524 PolarHBondContact O-N 3.27Å; L520-M539 HydrophobicContact CD1-CB 4.31Å; L520-M539 HydrophobicContact CD2-CB 4.48Å; L520-M539 HydrophobicContact CD2-CE 4.39Å; L520-L540 HydrophobicContact CB-CB 4.31Å; L520-L540 HydrophobicContact CB-CD1 4.12Å; L520-V543 HydrophobicContact CD1-CB 4.31Å; L520-V543 HydrophobicContact CD1-CG2 3.75Å
521	K	97.8	Very high	95.9	Very high	91 Å²	91	50.1 Å²	50.1	40%	0.396	26%	0.255	S	S	.	.	H	α-helix	trans	-63.5	-34.2	171.9	-78.5	168.4	174.1	166.4	0	112.6	P517 L519 K525 L540 E544	P517-K521 WeakPolarHBondContact O-CB 3.31Å; P517-K521 WeakPolarHBondContact O-CD 3.28Å; P517-K521 WeakPolarHBondContact O-CG 3.46Å; P517-K521 PolarHBondContact O-N 3.39Å; L519-K521 PolarHBondContact O-N 3.34Å; K521-K525 VanDerWaalsContact O-CB 3.24Å; K521-K525 WeakPolarHBondContact O-CB 3.47Å; K521-K525 PolarHBondContact O-N 3.36Å; K521-L540 HydrophobicContact CD-CD1 4.25Å; K521-L540 HydrophobicContact CD-CD2 4.3Å; K521-L540 HydrophobicContact CG-CD1 3.91Å; K521-L540 HydrophobicContact CG-CD2 3.6Å; K521-L540 HydrophobicContact CG-CG 4.41Å; K521-E544 IonicContact NZ-OE1 3.2Å; K521-E544 PolarHBondContact NZ-OE1 3.39Å; K521-E544 IonicContact NZ-OE2 2.78Å; K521-E544 PolarHBondContact NZ-OE2 3.46Å
522	S	97.7	Very high	96.1	Very high	31 Å²	31	47.3 Å²	47.3	22%	0.217	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-52.4	171.9	-168	0	0	0	0	110.7	L518 L519 L520 L524 K525 K526	L518-S522 WeakPolarHBondContact O-CB 3.5Å; L518-S522 PolarHBondContact O-N 2.93Å; L519-S522 VanDerWaalsContact O-CB 3.27Å; L519-S522 WeakPolarHBondContact O-CB 3.49Å; L519-S522 PolarHBondContact O-N 2.77Å; L519-S522 VanDerWaalsContact O-N 3.14Å; L520-S522 VanDerWaalsContact C-N 3.32Å; L520-S522 PolarHBondContact O-N 2.92Å; S522-L524 PolarHBondContact O-N 3.27Å; S522-K525 PolarHBondContact O-N 3.27Å; S522-K526 WeakPolarHBondContact O-CB 3.35Å; S522-K526 VanDerWaalsContact O-CD 3.31Å; S522-K526 WeakPolarHBondContact O-CD 3.46Å; S522-K526 VanDerWaalsContact O-CG 3.27Å; S522-K526 WeakPolarHBondContact O-CG 3.41Å; S522-K526 PolarHBondContact O-N 2.95Å; S522-K526 VanDerWaalsContact O-N 3.16Å
523	I	97.6	Very high	96.1	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-47	178.1	-62.7	166.5	0	0	0	111	A365 I366 L369 P443 L519 L520 K525 K526 T527 V536	A365-I523 HydrophobicContact CB-CG1 3.74Å; I366-I523 HydrophobicContact CG1-CD1 4.01Å; I366-I523 HydrophobicContact CG1-CG1 3.99Å; I366-I523 HydrophobicContact CG1-CG2 4.16Å; L369-I523 HydrophobicContact CB-CD1 4.42Å; L369-I523 HydrophobicContact CD2-CD1 3.9Å; P443-I523 HydrophobicContact CB-CG2 3.75Å; P443-I523 HydrophobicContact CG-CG2 4.31Å; L519-I523 WeakPolarHBondContact O-CG1 3.37Å; L519-I523 PolarHBondContact O-N 3.05Å; L520-I523 PolarHBondContact O-N 3.38Å; I523-K525 PolarHBondContact O-N 3.14Å; I523-K526 CarbonylContact O-C 3.34Å; I523-K526 PolarHBondContact O-N 3.36Å; I523-T527 WeakPolarHBondContact O-CB 3.33Å; I523-T527 PolarHBondContact O-N 3.3Å; I523-T527 PolarHBondContact O-OG1 3.4Å; I523-V536 HydrophobicContact CB-CG1 4.45Å; I523-V536 HydrophobicContact CG2-CG1 4.17Å; I523-V536 HydrophobicContact CG2-CG2 4.26Å
524	L	97.3	Very high	96.2	Very high	26 Å²	26	55.9 Å²	55.9	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-39.2	178.6	-177.4	57.6	0	0	0	112.6	L520 S522 K526 R533 V536 L540	L520-L524 VanDerWaalsContact O-CB 3.29Å; L520-L524 WeakPolarHBondContact O-CB 3.47Å; L520-L524 PolarHBondContact O-N 3.27Å; S522-L524 PolarHBondContact O-N 3.27Å; L524-K526 PolarHBondContact O-N 3.2Å; L524-R533 HydrophobicContact CD1-CB 4.12Å; L524-R533 VanDerWaalsContact CD1-O 3.25Å; L524-R533 WeakPolarHBondContact CD1-O 3.38Å; L524-R533 PolarHBondContact O-NH1 3.18Å; L524-V536 HydrophobicContact CB-CG1 3.82Å; L524-V536 HydrophobicContact CD1-CB 4.25Å; L524-V536 HydrophobicContact CD1-CG1 4.36Å; L524-L540 HydrophobicContact CD2-CD2 3.98Å
525	K	96.3	Very high	96.4	Very high	165 Å²	165	56.9 Å²	56.9	72%	0.717	29%	0.288	S	S	*	.	H	α-helix	trans	-67.4	-24.4	175.3	-175.9	172.8	-179.5	178.5	0	112.4	R358 K521 S522 I523	R358-K525 VanDerWaalsContact CZ-O 3.26Å; R358-K525 PolarHBondContact NH1-O 3.47Å; R358-K525 PolarHBondContact NH2-O 2.76Å; K521-K525 VanDerWaalsContact O-CB 3.24Å; K521-K525 WeakPolarHBondContact O-CB 3.47Å; K521-K525 PolarHBondContact O-N 3.36Å; S522-K525 PolarHBondContact O-N 3.27Å; I523-K525 PolarHBondContact O-N 3.14Å
526	K	95.2	Very high	96.4	Very high	40 Å²	40	51.7 Å²	51.7	17%	0.174	27%	0.265	C	S	.	.	H	α-helix	trans	-99.9	-8.5	-175.7	-69.3	164.3	160	-157.3	0	114.4	H361 Q362 A365 S522 I523 L524	H361-K526 HydrophobicContact CB-CD 4.23Å; H361-K526 HydrophobicContact CB-CG 4.33Å; H361-K526 VanDerWaalsContact O-CD 3.23Å; H361-K526 WeakPolarHBondContact O-CD 3.35Å; H361-K526 WeakPolarHBondContact O-CE 3.48Å; H361-K526 PolarHBondContact O-NZ 2.84Å; Q362-K526 HydrophobicContact CB-CB 4.07Å; Q362-K526 HydrophobicContact CG-CB 4.33Å; A365-K526 HydrophobicContact CB-CD 3.58Å; S522-K526 WeakPolarHBondContact O-CB 3.35Å; S522-K526 VanDerWaalsContact O-CD 3.31Å; S522-K526 WeakPolarHBondContact O-CD 3.46Å; S522-K526 VanDerWaalsContact O-CG 3.27Å; S522-K526 WeakPolarHBondContact O-CG 3.41Å; S522-K526 PolarHBondContact O-N 2.95Å; S522-K526 VanDerWaalsContact O-N 3.16Å; I523-K526 CarbonylContact O-C 3.34Å; I523-K526 PolarHBondContact O-N 3.36Å; L524-K526 PolarHBondContact O-N 3.2Å
527	T	94.7	Very high	96.4	Very high	2 Å²	2	54 Å²	54	1%	0.012	28%	0.281	C	S	.	.			trans	-95.2	134.4	179.1	-56.5	0	0	0	0	110.7	Q362 I523 A532 R533	Q362-T527 PolarHBondContact NE2-OG1 2.96Å; I523-T527 WeakPolarHBondContact O-CB 3.33Å; I523-T527 PolarHBondContact O-N 3.3Å; I523-T527 PolarHBondContact O-OG1 3.4Å; T527-A532 HydrophobicContact CG2-CB 3.82Å; T527-R533 HydrophobicContact CG2-CG 3.92Å; T527-R533 WeakPolarHBondContact O-CD 3.47Å; T527-R533 WeakPolarHBondContact O-CG 3.4Å; T527-R533 PolarHBondContact O-NH1 3.35Å
528	D	91.7	Very high	96.4	Very high	92 Å²	92	56.4 Å²	56.4	49%	0.492	30%	0.298	S	S	.	.			trans	-104.4	-43.7	-178.6	-66.3	-34.7	0	0	0	114	R358 P530 R533	R358-D528 WeakPolarHBondContact CG-OD2 3.37Å; R358-D528 IonicContact CZ-OD1 2.62Å; R358-D528 VanDerWaalsContact NE-CG 3.32Å; R358-D528 IonicContact NE-OD1 3.98Å; R358-D528 PolarHBondContact NE-OD1 3Å; R358-D528 IonicContact NE-OD2 2.89Å; R358-D528 PolarHBondContact NE-OD2 2.87Å; R358-D528 VanDerWaalsContact NE-OD2 3.16Å; R358-D528 IonicContact NH2-OD1 3.3Å; R358-D528 PolarHBondContact NH2-OD1 3.08Å; D528-P530 WeakPolarHBondContact O-CD 3.46Å; D528-P530 VanDerWaalsContact O-N 3.15Å; D528-R533 WeakPolarHBondContact O-CD 3.21Å
529	E	93.8	Very high	96.4	Very high	106 Å²	106	51.5 Å²	51.5	50%	0.495	27%	0.273	S	S	.	.			trans	-55.1	113.9	-177.5	170.7	41	-126.4	0	0	110.8	S531 A532 R533	E529-S531 VanDerWaalsContact C-N 3.32Å; E529-S531 WeakPolarHBondContact CG-OG 3.05Å; E529-S531 PolarHBondContact O-N 3.33Å; E529-S531 WeakPolarHBondContact OE1-CB 3.28Å; E529-S531 PolarHBondContact OE1-N 2.85Å; E529-S531 PolarHBondContact OE1-OG 3.37Å; E529-A532 HydrophobicContact CB-CB 4.18Å; E529-A532 HydrophobicContact CG-CB 4.11Å; E529-A532 PolarHBondContact O-N 3.11Å; E529-A532 VanDerWaalsContact O-N 3.07Å; E529-R533 WeakPolarHBondContact O-CG 3.45Å; E529-R533 PolarHBondContact O-N 3.23Å
530	P	94.2	Very high	96.4	Very high	81 Å²	81	51.6 Å²	51.6	53%	0.526	27%	0.273	S	S	.	.	H	α-helix	trans	-53.3	-44.6	-171.6	-30	36.7	0	0	0	113.8	D528 A532 R533 D534	D528-P530 WeakPolarHBondContact O-CD 3.46Å; D528-P530 VanDerWaalsContact O-N 3.15Å; P530-A532 VanDerWaalsContact C-N 3.33Å; P530-A532 PolarHBondContact O-N 2.79Å; P530-R533 WeakPolarHBondContact O-CB 3.45Å; P530-R533 PolarHBondContact O-N 3.29Å; P530-D534 PolarHBondContact O-N 3.37Å
531	S	95.7	Very high	96.4	Very high	68 Å²	68	56 Å²	56	48%	0.476	30%	0.299	S	S	.	.	H	α-helix	trans	-59.9	-42.6	179.3	59.3	0	0	0	0	112.4	E529 I535	E529-S531 VanDerWaalsContact C-N 3.32Å; E529-S531 WeakPolarHBondContact CG-OG 3.05Å; E529-S531 PolarHBondContact O-N 3.33Å; E529-S531 WeakPolarHBondContact OE1-CB 3.28Å; E529-S531 PolarHBondContact OE1-N 2.85Å; E529-S531 PolarHBondContact OE1-OG 3.37Å; S531-I535 WeakPolarHBondContact O-CD1 3.4Å; S531-I535 WeakPolarHBondContact O-CG1 3.3Å; S531-I535 PolarHBondContact O-N 3.42Å
532	A	95.4	Very high	96.3	Very high	8 Å²	8	53.5 Å²	53.5	7%	0.066	29%	0.292	C	S	.	.	H	α-helix	trans	-70.3	-33.2	175	0	0	0	0	0	112.7	T444 T527 E529 P530 V536	T444-A532 HydrophobicContact CG2-CB 3.65Å; T527-A532 HydrophobicContact CG2-CB 3.82Å; E529-A532 HydrophobicContact CB-CB 4.18Å; E529-A532 HydrophobicContact CG-CB 4.11Å; E529-A532 PolarHBondContact O-N 3.11Å; E529-A532 VanDerWaalsContact O-N 3.07Å; P530-A532 VanDerWaalsContact C-N 3.33Å; P530-A532 PolarHBondContact O-N 2.79Å; A532-V536 VanDerWaalsContact O-CG2 3.27Å; A532-V536 WeakPolarHBondContact O-CG2 3.33Å; A532-V536 PolarHBondContact O-N 3.25Å
533	R	97	Very high	96.3	Very high	86 Å²	86	52 Å²	52	33%	0.325	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-44	174.7	-68.1	177.1	56.4	63	17.1	111.5	L524 T527 D528 E529 P530 V536 S537	L524-R533 HydrophobicContact CD1-CB 4.12Å; L524-R533 VanDerWaalsContact CD1-O 3.25Å; L524-R533 WeakPolarHBondContact CD1-O 3.38Å; L524-R533 PolarHBondContact O-NH1 3.18Å; T527-R533 HydrophobicContact CG2-CG 3.92Å; T527-R533 WeakPolarHBondContact O-CD 3.47Å; T527-R533 WeakPolarHBondContact O-CG 3.4Å; T527-R533 PolarHBondContact O-NH1 3.35Å; D528-R533 WeakPolarHBondContact O-CD 3.21Å; E529-R533 WeakPolarHBondContact O-CG 3.45Å; E529-R533 PolarHBondContact O-N 3.23Å; P530-R533 WeakPolarHBondContact O-CB 3.45Å; P530-R533 PolarHBondContact O-N 3.29Å; R533-V536 PolarHBondContact O-N 3.17Å; R533-S537 WeakPolarHBondContact O-CB 3.29Å; R533-S537 PolarHBondContact O-N 3.38Å
534	D	97.3	Very high	96.2	Very high	111 Å²	111	54.9 Å²	54.9	59%	0.594	30%	0.295	S	S	*	.	H	α-helix	trans	-68.2	-39	-178.8	-65.5	-25.1	0	0	0	111.5	P530 S537 S538	P530-D534 PolarHBondContact O-N 3.37Å; D534-S537 WeakPolarHBondContact O-CB 3.31Å; D534-S537 PolarHBondContact O-N 2.84Å; D534-S538 PolarHBondContact O-N 3.08Å
535	I	97.3	Very high	96.2	Very high	54 Å²	54	57.3 Å²	57.3	28%	0.277	32%	0.315	S	S	.	.	H	α-helix	trans	-59.1	-47.8	171.6	-70.2	166.6	0	0	0	111.3	T444 H447 S531 S537 S538 M539	T444-I535 HydrophobicContact CG2-CB 4.45Å; T444-I535 HydrophobicContact CG2-CD1 3.77Å; T444-I535 HydrophobicContact CG2-CG2 4.33Å; H447-I535 HydrophobicContact CB-CG2 3.83Å; S531-I535 WeakPolarHBondContact O-CD1 3.4Å; S531-I535 WeakPolarHBondContact O-CG1 3.3Å; S531-I535 PolarHBondContact O-N 3.42Å; I535-S537 VanDerWaalsContact C-N 3.33Å; I535-S537 PolarHBondContact O-N 3.01Å; I535-S538 PolarHBondContact O-N 3.12Å; I535-M539 WeakPolarHBondContact O-CG 3.44Å; I535-M539 PolarHBondContact O-N 3.16Å
536	V	97.4	Very high	96.2	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-68.4	-32.5	178.1	180	0	0	0	0	111.9	P443 I523 L524 A532 R533 M539 L540	P443-V536 HydrophobicContact CB-CG2 3.94Å; P443-V536 HydrophobicContact CG-CG2 4.23Å; I523-V536 HydrophobicContact CB-CG1 4.45Å; I523-V536 HydrophobicContact CG2-CG1 4.17Å; I523-V536 HydrophobicContact CG2-CG2 4.26Å; L524-V536 HydrophobicContact CB-CG1 3.82Å; L524-V536 HydrophobicContact CD1-CB 4.25Å; L524-V536 HydrophobicContact CD1-CG1 4.36Å; A532-V536 VanDerWaalsContact O-CG2 3.27Å; A532-V536 WeakPolarHBondContact O-CG2 3.33Å; A532-V536 PolarHBondContact O-N 3.25Å; R533-V536 PolarHBondContact O-N 3.17Å; V536-M539 HydrophobicContact CB-CE 4.05Å; V536-M539 HydrophobicContact CG1-CE 4.28Å; V536-M539 HydrophobicContact CG2-CE 3.63Å; V536-L540 WeakPolarHBondContact O-CB 3.44Å; V536-L540 PolarHBondContact O-N 3.24Å
537	S	97.6	Very high	96.1	Very high	47 Å²	47	48.9 Å²	48.9	33%	0.329	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-43.9	172.4	-164.2	0	0	0	0	111.5	R533 D534 I535 L540 V541	R533-S537 WeakPolarHBondContact O-CB 3.29Å; R533-S537 PolarHBondContact O-N 3.38Å; D534-S537 WeakPolarHBondContact O-CB 3.31Å; D534-S537 PolarHBondContact O-N 2.84Å; I535-S537 VanDerWaalsContact C-N 3.33Å; I535-S537 PolarHBondContact O-N 3.01Å; S537-L540 WeakPolarHBondContact O-CB 3.42Å; S537-L540 PolarHBondContact O-N 2.7Å; S537-V541 WeakPolarHBondContact O-CG2 3.48Å; S537-V541 PolarHBondContact O-N 2.67Å
538	S	97.6	Very high	96	Very high	62 Å²	62	53.6 Å²	53.6	43%	0.434	30%	0.304	S	S	.	.	H	α-helix	trans	-63.7	-43.5	176.6	-166.4	0	0	0	0	112.7	D534 I535 L540 V541 T542	D534-S538 PolarHBondContact O-N 3.08Å; I535-S538 PolarHBondContact O-N 3.12Å; S538-L540 VanDerWaalsContact C-N 3.32Å; S538-L540 PolarHBondContact O-N 3.26Å; S538-V541 PolarHBondContact O-N 2.63Å; S538-T542 PolarHBondContact O-N 2.99Å; S538-T542 PolarHBondContact O-OG1 2.94Å
539	M	97.8	Very high	96.1	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-55.9	-46.5	171.6	-69.9	-165.3	-75.8	0	0	111.7	L446 H447 F450 L520 I535 V536 T542 V543	L446-M539 HydrophobicContact CB-CE 4.26Å; L446-M539 HydrophobicContact CB-SD 3.89Å; H447-M539 VanDerWaalsContact CA-SD 3.58Å; F450-M539 HydrophobicContact CB-CB 3.8Å; F450-M539 HydrophobicContact CB-CG 3.61Å; F450-M539 HydrophobicContact CB-SD 3.63Å; F450-M539 HydrophobicContact CD2-SD 3.79Å; F450-M539 HydrophobicContact CG-CB 4.45Å; F450-M539 HydrophobicContact CG-CG 4.45Å; F450-M539 HydrophobicContact CG-SD 3.97Å; L520-M539 HydrophobicContact CD1-CB 4.31Å; L520-M539 HydrophobicContact CD2-CB 4.48Å; L520-M539 HydrophobicContact CD2-CE 4.39Å; I535-M539 WeakPolarHBondContact O-CG 3.44Å; I535-M539 PolarHBondContact O-N 3.16Å; V536-M539 HydrophobicContact CB-CE 4.05Å; V536-M539 HydrophobicContact CG1-CE 4.28Å; V536-M539 HydrophobicContact CG2-CE 3.63Å; M539-T542 PolarHBondContact O-N 3.06Å; M539-V543 WeakPolarHBondContact O-CG2 3.06Å; M539-V543 PolarHBondContact O-N 3.31Å; M539-V543 VanDerWaalsContact O-N 3.1Å
540	L	97.4	Very high	96	Very high	11 Å²	11	46.8 Å²	46.8	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-46.2	179	173.4	64.2	0	0	0	111.9	P517 L520 K521 L524 V536 S537 S538 T542 V543 E544	P517-L540 HydrophobicContact CB-CD1 4.01Å; L520-L540 HydrophobicContact CB-CB 4.31Å; L520-L540 HydrophobicContact CB-CD1 4.12Å; K521-L540 HydrophobicContact CD-CD1 4.25Å; K521-L540 HydrophobicContact CD-CD2 4.3Å; K521-L540 HydrophobicContact CG-CD1 3.91Å; K521-L540 HydrophobicContact CG-CD2 3.6Å; K521-L540 HydrophobicContact CG-CG 4.41Å; L524-L540 HydrophobicContact CD2-CD2 3.98Å; V536-L540 WeakPolarHBondContact O-CB 3.44Å; V536-L540 PolarHBondContact O-N 3.24Å; S537-L540 WeakPolarHBondContact O-CB 3.42Å; S537-L540 PolarHBondContact O-N 2.7Å; S538-L540 VanDerWaalsContact C-N 3.32Å; S538-L540 PolarHBondContact O-N 3.26Å; L540-T542 VanDerWaalsContact C-N 3.3Å; L540-T542 PolarHBondContact O-N 2.93Å; L540-V543 PolarHBondContact O-N 2.98Å; L540-E544 HydrophobicContact CD1-CG 3.93Å; L540-E544 HydrophobicContact CG-CG 4.49Å; L540-E544 WeakPolarHBondContact O-CG 3.24Å; L540-E544 PolarHBondContact O-N 3.29Å
541	V	97.1	Very high	95.8	Very high	91 Å²	91	43.1 Å²	43.1	55%	0.552	25%	0.251	S	S	*	.	H	α-helix	trans	-61.1	-38.8	177.6	171.5	0	0	0	0	111.6	S537 S538 E544 S545	S537-V541 WeakPolarHBondContact O-CG2 3.48Å; S537-V541 PolarHBondContact O-N 2.67Å; S538-V541 PolarHBondContact O-N 2.63Å; V541-E544 PolarHBondContact O-N 3.16Å; V541-S545 WeakPolarHBondContact O-CB 3.35Å; V541-S545 PolarHBondContact O-N 2.89Å
542	T	97.1	Very high	95.5	Very high	39 Å²	39	42.8 Å²	42.8	24%	0.239	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-41.9	177.8	-55.2	0	0	0	0	111.6	F450 F453 S538 M539 L540 F546	F450-T542 WeakPolarHBondContact O-CG2 3.45Å; F453-T542 HydrophobicContact CB-CG2 4.4Å; S538-T542 PolarHBondContact O-N 2.99Å; S538-T542 PolarHBondContact O-OG1 2.94Å; M539-T542 PolarHBondContact O-N 3.06Å; L540-T542 VanDerWaalsContact C-N 3.3Å; L540-T542 PolarHBondContact O-N 2.93Å; T542-F546 PolarHBondContact O-N 3.23Å; T542-F546 VanDerWaalsContact O-N 3.15Å
543	V	97.3	Very high	95.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.5	-47	176	175.5	0	0	0	0	111.5	F450 F453 P517 L520 M539 L540 S545 F546 I547	F450-V543 HydrophobicContact CD1-CG2 3.65Å; F450-V543 HydrophobicContact CE1-CG2 4.2Å; F453-V543 HydrophobicContact CB-CG2 4.37Å; F453-V543 HydrophobicContact CD1-CB 4.46Å; F453-V543 HydrophobicContact CD1-CG2 4.03Å; F453-V543 HydrophobicContact CD2-CG2 3.75Å; F453-V543 HydrophobicContact CE1-CB 4.37Å; F453-V543 HydrophobicContact CE1-CG1 4Å; F453-V543 HydrophobicContact CE1-CG2 4.18Å; F453-V543 HydrophobicContact CE2-CG1 4.38Å; F453-V543 HydrophobicContact CE2-CG2 3.9Å; F453-V543 HydrophobicContact CG-CG2 3.81Å; F453-V543 HydrophobicContact CZ-CG1 3.9Å; F453-V543 HydrophobicContact CZ-CG2 4.13Å; P517-V543 HydrophobicContact CG-CG1 3.85Å; L520-V543 HydrophobicContact CD1-CB 4.31Å; L520-V543 HydrophobicContact CD1-CG2 3.75Å; M539-V543 WeakPolarHBondContact O-CG2 3.06Å; M539-V543 PolarHBondContact O-N 3.31Å; M539-V543 VanDerWaalsContact O-N 3.1Å; L540-V543 PolarHBondContact O-N 2.98Å; V543-S545 VanDerWaalsContact C-N 3.33Å; V543-S545 PolarHBondContact O-N 3.19Å; V543-F546 PolarHBondContact O-N 3.28Å; V543-I547 HydrophobicContact CG1-CD1 3.74Å; V543-I547 HydrophobicContact CG1-CG1 4.47Å; V543-I547 WeakPolarHBondContact O-CG1 3.32Å; V543-I547 PolarHBondContact O-N 2.96Å
544	E	95.9	Very high	94.8	Very high	61 Å²	61	41.7 Å²	41.7	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-66.9	-34.9	-179.5	-65.1	-162	131.4	0	0	111.9	P517 K521 L540 V541 I547 N548	P517-E544 HydrophobicContact CB-CG 3.91Å; P517-E544 WeakPolarHBondContact CB-OE1 3.38Å; P517-E544 HydrophobicContact CG-CG 3.99Å; K521-E544 IonicContact NZ-OE1 3.2Å; K521-E544 PolarHBondContact NZ-OE1 3.39Å; K521-E544 IonicContact NZ-OE2 2.78Å; K521-E544 PolarHBondContact NZ-OE2 3.46Å; L540-E544 HydrophobicContact CD1-CG 3.93Å; L540-E544 HydrophobicContact CG-CG 4.49Å; L540-E544 WeakPolarHBondContact O-CG 3.24Å; L540-E544 PolarHBondContact O-N 3.29Å; V541-E544 PolarHBondContact O-N 3.16Å; E544-I547 PolarHBondContact O-N 3.09Å; E544-N548 WeakPolarHBondContact O-CB 3.46Å; E544-N548 PolarHBondContact O-N 3.26Å; E544-N548 PolarHBondContact O-ND2 3.37Å
545	S	95.6	Very high	94.3	Very high	78 Å²	78	39.6 Å²	39.6	55%	0.545	23%	0.229	S	C	.	.	H	α-helix	trans	-60.5	-48.1	171.8	-176.6	0	0	0	0	112.3	V541 V543 I547 N548 S549	V541-S545 WeakPolarHBondContact O-CB 3.35Å; V541-S545 PolarHBondContact O-N 2.89Å; V543-S545 VanDerWaalsContact C-N 3.33Å; V543-S545 PolarHBondContact O-N 3.19Å; S545-I547 PolarHBondContact O-N 3.23Å; S545-N548 PolarHBondContact O-N 2.88Å; S545-S549 PolarHBondContact O-N 2.83Å
546	F	96.5	Very high	93.8	Very high	11 Å²	11	40.2 Å²	40.2	5%	0.048	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-46	176.2	177.2	-93.2	0	0	0	112.1	F453 F457 I461 L513 T542 V543 N548 S549 V550	F453-F546 HydrophobicContact CD1-CB 4.05Å; F453-F546 HydrophobicContact CD1-CD1 4.16Å; F453-F546 HydrophobicContact CD1-CG 4.16Å; F453-F546 HydrophobicContact CE1-CB 4.26Å; F453-F546 AromaticContact CE1-CD1 3.72Å; F453-F546 HydrophobicContact CE1-CD1 3.72Å; F453-F546 HydrophobicContact CE1-CE1 4.46Å; F453-F546 HydrophobicContact CE1-CG 4.18Å; F457-F546 HydrophobicContact CB-CD1 4.17Å; F457-F546 HydrophobicContact CB-CE1 3.67Å; F457-F546 HydrophobicContact CB-CE2 4.15Å; F457-F546 HydrophobicContact CB-CZ 3.67Å; F457-F546 WeakPolarHBondContact O-CZ 3.4Å; I461-F546 HydrophobicContact CD1-CE2 4.3Å; I461-F546 HydrophobicContact CG1-CE2 4.38Å; I461-F546 HydrophobicContact CG1-CZ 4.2Å; L513-F546 HydrophobicContact CD1-CD1 4.16Å; L513-F546 HydrophobicContact CD1-CE1 3.98Å; T542-F546 PolarHBondContact O-N 3.23Å; T542-F546 VanDerWaalsContact O-N 3.15Å; V543-F546 PolarHBondContact O-N 3.28Å; F546-N548 PolarHBondContact O-N 3.21Å; F546-S549 WeakPolarHBondContact O-CB 3.37Å; F546-S549 PolarHBondContact O-N 3.23Å; F546-S549 VanDerWaalsContact O-N 3.12Å; F546-V550 HydrophobicContact CD1-CG2 4.08Å; F546-V550 HydrophobicContact CE1-CG2 3.48Å; F546-V550 VanDerWaalsContact CE1-CG2 3.48Å; F546-V550 HydrophobicContact CE2-CG2 4.31Å; F546-V550 HydrophobicContact CZ-CG2 3.61Å; F546-V550 PolarHBondContact O-N 3.47Å
547	I	94.8	Very high	93.3	Very high	17 Å²	17	44.8 Å²	44.8	9%	0.087	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-44.6	179.9	-69.4	172.6	0	0	0	110.7	L52 L513 P517 V543 E544 S545 S549 V550 D551	L52-I547 HydrophobicContact CD1-CG2 3.71Å; L513-I547 HydrophobicContact CD1-CD1 4.38Å; L513-I547 HydrophobicContact CD1-CG1 3.94Å; L513-I547 HydrophobicContact CG-CD1 4.37Å; L513-I547 HydrophobicContact CG-CG1 4Å; L513-I547 VanDerWaalsContact O-CD1 3.32Å; L513-I547 WeakPolarHBondContact O-CD1 3.08Å; P517-I547 HydrophobicContact CG-CD1 3.45Å; P517-I547 VanDerWaalsContact CG-CD1 3.45Å; V543-I547 HydrophobicContact CG1-CD1 3.74Å; V543-I547 HydrophobicContact CG1-CG1 4.47Å; V543-I547 WeakPolarHBondContact O-CG1 3.32Å; V543-I547 PolarHBondContact O-N 2.96Å; E544-I547 PolarHBondContact O-N 3.09Å; S545-I547 PolarHBondContact O-N 3.23Å; I547-S549 VanDerWaalsContact C-N 3.28Å; I547-S549 PolarHBondContact O-N 3.05Å; I547-V550 PolarHBondContact O-N 2.96Å; I547-D551 WeakPolarHBondContact O-CB 3.43Å; I547-D551 PolarHBondContact O-N 3.03Å
548	N	92.4	Very high	92.8	Very high	101 Å²	101	45.7 Å²	45.7	54%	0.54	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-35	175.2	-73.6	-33.5	0	0	0	112.5	E544 S545 F546 S552	E544-N548 WeakPolarHBondContact O-CB 3.46Å; E544-N548 PolarHBondContact O-N 3.26Å; E544-N548 PolarHBondContact O-ND2 3.37Å; S545-N548 PolarHBondContact O-N 2.88Å; F546-N548 PolarHBondContact O-N 3.21Å; N548-S552 WeakPolarHBondContact O-CB 3.43Å; N548-S552 PolarHBondContact O-N 3.32Å
549	S	92.9	Very high	92.4	Very high	53 Å²	53	44.4 Å²	44.4	37%	0.371	23%	0.234	S	C	.	.	H	α-helix	trans	-65.8	-46.3	174	-178.5	0	0	0	0	112.2	S545 F546 I547 D551 S552 Q553	S545-S549 PolarHBondContact O-N 2.83Å; F546-S549 WeakPolarHBondContact O-CB 3.37Å; F546-S549 PolarHBondContact O-N 3.23Å; F546-S549 VanDerWaalsContact O-N 3.12Å; I547-S549 VanDerWaalsContact C-N 3.28Å; I547-S549 PolarHBondContact O-N 3.05Å; S549-D551 VanDerWaalsContact C-N 3.35Å; S549-D551 PolarHBondContact O-N 2.89Å; S549-S552 PolarHBondContact O-N 3.29Å; S549-Q553 WeakPolarHBondContact O-CG 3.48Å; S549-Q553 PolarHBondContact O-N 3.23Å; S549-Q553 PolarHBondContact O-NE2 3.24Å; S549-Q553 PolarHBondContact OG-NE2 3.16Å
550	V	92.1	Very high	92	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-56.7	-50.1	173.2	176.8	0	0	0	0	110.2	L52 I461 C464 F546 I547 S552 Q553 M554	L52-V550 HydrophobicContact CD1-CG1 4.36Å; L52-V550 HydrophobicContact CD2-CG1 4.45Å; I461-V550 HydrophobicContact CG1-CG2 3.94Å; C464-V550 HydrophobicContact CB-CG1 4.08Å; F546-V550 HydrophobicContact CD1-CG2 4.08Å; F546-V550 HydrophobicContact CE1-CG2 3.48Å; F546-V550 VanDerWaalsContact CE1-CG2 3.48Å; F546-V550 HydrophobicContact CE2-CG2 4.31Å; F546-V550 HydrophobicContact CZ-CG2 3.61Å; F546-V550 PolarHBondContact O-N 3.47Å; I547-V550 PolarHBondContact O-N 2.96Å; V550-S552 VanDerWaalsContact C-N 3.27Å; V550-S552 PolarHBondContact O-N 3.22Å; V550-Q553 PolarHBondContact O-N 2.93Å; V550-M554 HydrophobicContact CG1-CG 4.37Å; V550-M554 HydrophobicContact CG1-SD 3.95Å; V550-M554 WeakPolarHBondContact O-CB 3.49Å; V550-M554 VanDerWaalsContact O-CG 3.29Å; V550-M554 WeakPolarHBondContact O-CG 3.4Å; V550-M554 PolarHBondContact O-N 3.29Å
551	D	89.5	Confident	91.7	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-57	-38.5	178.4	-130.1	-55	0	0	0	112.4	S50 I51 L52 I547 S549 R555	S50-D551 WeakPolarHBondContact CA-OD1 3.42Å; S50-D551 WeakPolarHBondContact CB-OD2 3.43Å; S50-D551 PolarHBondContact OG-OD2 2.95Å; I51-D551 PolarHBondContact N-OD1 3.26Å; L52-D551 HydrophobicContact CD1-CB 4.32Å; L52-D551 WeakPolarHBondContact CG-OD2 3.44Å; I547-D551 WeakPolarHBondContact O-CB 3.43Å; I547-D551 PolarHBondContact O-N 3.03Å; S549-D551 VanDerWaalsContact C-N 3.35Å; S549-D551 PolarHBondContact O-N 2.89Å; D551-R555 WeakPolarHBondContact O-CG 3.42Å; D551-R555 VanDerWaalsContact O-CZ 3.32Å; D551-R555 PolarHBondContact O-N 2.92Å; D551-R555 VanDerWaalsContact O-N 3.12Å; D551-R555 PolarHBondContact O-NH1 2.84Å; D551-R555 VanDerWaalsContact O-NH1 3.16Å; D551-R555 IonicContact OD1-NH1 2.67Å; D551-R555 PolarHBondContact OD1-NH1 3.01Å
552	S	88.9	Confident	91.4	Very high	61 Å²	61	53.9 Å²	53.9	43%	0.427	27%	0.271	S	S	.	.	H	α-helix	trans	-74.6	-42.6	179.6	-135.4	0	0	0	0	113	N548 S549 V550 M554 R555 Q556	N548-S552 WeakPolarHBondContact O-CB 3.43Å; N548-S552 PolarHBondContact O-N 3.32Å; S549-S552 PolarHBondContact O-N 3.29Å; V550-S552 VanDerWaalsContact C-N 3.27Å; V550-S552 PolarHBondContact O-N 3.22Å; S552-M554 VanDerWaalsContact C-N 3.31Å; S552-M554 PolarHBondContact O-N 3.04Å; S552-R555 PolarHBondContact O-N 3.09Å; S552-R555 PolarHBondContact OG-NH2 2.57Å; S552-R555 VanDerWaalsContact OG-NH2 3.12Å; S552-Q556 WeakPolarHBondContact O-CB 3.36Å; S552-Q556 PolarHBondContact O-N 3.38Å
553	Q	89	Confident	91.2	Very high	60 Å²	60	52.3 Å²	52.3	28%	0.28	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-40	174.4	-67.1	174.8	64.5	0	0	110.8	M465 S549 V550 Q556 R557	M465-Q553 HydrophobicContact CE-CB 3.4Å; M465-Q553 VanDerWaalsContact CE-CB 3.4Å; M465-Q553 WeakPolarHBondContact CE-O 3.42Å; S549-Q553 WeakPolarHBondContact O-CG 3.48Å; S549-Q553 PolarHBondContact O-N 3.23Å; S549-Q553 PolarHBondContact O-NE2 3.24Å; S549-Q553 PolarHBondContact OG-NE2 3.16Å; V550-Q553 PolarHBondContact O-N 2.93Å; Q553-Q556 PolarHBondContact O-N 3.42Å; Q553-R557 PolarHBondContact O-N 3.47Å
554	M	88.6	Confident	91	Very high	12 Å²	12	54.4 Å²	54.4	6%	0.059	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-44.1	174.8	-72.5	179	78	0	0	112.1	I51 L52 C464 M465 V550 S552 Q558	I51-M554 HydrophobicContact CD1-CB 3.86Å; I51-M554 HydrophobicContact CG2-CE 3.78Å; L52-M554 HydrophobicContact CD2-CE 4.43Å; L52-M554 HydrophobicContact CD2-SD 3.66Å; L52-M554 HydrophobicContact CG-SD 4.44Å; C464-M554 HydrophobicContact CB-CE 4.15Å; C464-M554 HydrophobicContact CB-SD 3.7Å; C464-M554 VanDerWaalsContact O-CE 3.31Å; C464-M554 WeakPolarHBondContact O-CE 3.34Å; M465-M554 HydrophobicContact CE-CG 4.29Å; M465-M554 HydrophobicContact SD-CG 4.04Å; V550-M554 HydrophobicContact CG1-CG 4.37Å; V550-M554 HydrophobicContact CG1-SD 3.95Å; V550-M554 WeakPolarHBondContact O-CB 3.49Å; V550-M554 VanDerWaalsContact O-CG 3.29Å; V550-M554 WeakPolarHBondContact O-CG 3.4Å; V550-M554 PolarHBondContact O-N 3.29Å; S552-M554 VanDerWaalsContact C-N 3.31Å; S552-M554 PolarHBondContact O-N 3.04Å; M554-Q558 WeakPolarHBondContact O-CG 3.34Å; M554-Q558 PolarHBondContact O-N 3.14Å
555	R	87.1	Confident	90.9	Very high	66 Å²	66	55.6 Å²	55.6	25%	0.249	29%	0.29	C	S	.	.	H	α-helix	trans	-58.2	-49.9	171.7	-77.1	-176.4	-64.5	-84.4	3.9	111	I51 D551 S552 R557 Q558 E559	I51-R555 HydrophobicContact CD1-CB 4.22Å; I51-R555 HydrophobicContact CD1-CG 3.51Å; I51-R555 HydrophobicContact CG1-CG 4.11Å; D551-R555 WeakPolarHBondContact O-CG 3.42Å; D551-R555 VanDerWaalsContact O-CZ 3.32Å; D551-R555 PolarHBondContact O-N 2.92Å; D551-R555 VanDerWaalsContact O-N 3.12Å; D551-R555 PolarHBondContact O-NH1 2.84Å; D551-R555 VanDerWaalsContact O-NH1 3.16Å; D551-R555 IonicContact OD1-NH1 2.67Å; D551-R555 PolarHBondContact OD1-NH1 3.01Å; S552-R555 PolarHBondContact O-N 3.09Å; S552-R555 PolarHBondContact OG-NH2 2.57Å; S552-R555 VanDerWaalsContact OG-NH2 3.12Å; R555-R557 PolarHBondContact O-N 3Å; R555-Q558 PolarHBondContact O-N 2.67Å; R555-Q558 VanDerWaalsContact O-N 3.15Å; R555-E559 WeakPolarHBondContact O-CG 3.41Å; R555-E559 PolarHBondContact O-N 3.25Å
556	Q	87.4	Confident	90.8	Very high	67 Å²	67	52.4 Å²	52.4	31%	0.313	27%	0.267	S	S	.	.	H	α-helix	trans	-58.1	-46.8	-177.9	-160.3	-171.8	32.1	0	0	111.6	S552 Q553 Q558 E559 Q560 E605	S552-Q556 WeakPolarHBondContact O-CB 3.36Å; S552-Q556 PolarHBondContact O-N 3.38Å; Q553-Q556 PolarHBondContact O-N 3.42Å; Q556-Q558 PolarHBondContact O-N 3.13Å; Q556-E559 PolarHBondContact O-N 3.17Å; Q556-Q560 WeakPolarHBondContact O-CB 3.48Å; Q556-Q560 VanDerWaalsContact O-CG 3.25Å; Q556-Q560 WeakPolarHBondContact O-CG 3.48Å; Q556-Q560 PolarHBondContact O-N 3.08Å; Q556-E605 PolarHBondContact NE2-O 2.88Å
557	R	86.9	Confident	90.7	Very high	97 Å²	97	53.5 Å²	53.5	37%	0.366	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-41.6	175.6	-175.9	176.4	170.5	163.2	-13.1	112.2	M465 E466 Q553 R555 Q560 Q561	M465-R557 HydrophobicContact CE-CB 4.4Å; M465-R557 HydrophobicContact SD-CB 3.87Å; M465-R557 WeakPolarHBondContact SD-CD 3.45Å; M465-R557 HydrophobicContact SD-CG 4.24Å; E466-R557 IonicContact OE1-CZ 3.65Å; E466-R557 IonicContact OE1-NH1 3.25Å; E466-R557 PolarHBondContact OE1-NH1 2.86Å; E466-R557 IonicContact OE1-NH2 2.67Å; E466-R557 PolarHBondContact OE1-NH2 2.97Å; E466-R557 IonicContact OE2-NH2 3.19Å; Q553-R557 PolarHBondContact O-N 3.47Å; R555-R557 PolarHBondContact O-N 3Å; R557-Q560 PolarHBondContact O-N 3.33Å; R557-Q561 WeakPolarHBondContact O-CB 3.16Å; R557-Q561 PolarHBondContact O-N 3.43Å
558	Q	87.6	Confident	90.6	Very high	65 Å²	65	56 Å²	56	30%	0.304	30%	0.299	S	S	.	.	H	α-helix	trans	-63.7	-43.3	176.5	-75.7	-176.3	-9.6	0	0	112.2	M554 R555 Q556 Q561 K562	M554-Q558 WeakPolarHBondContact O-CG 3.34Å; M554-Q558 PolarHBondContact O-N 3.14Å; R555-Q558 PolarHBondContact O-N 2.67Å; R555-Q558 VanDerWaalsContact O-N 3.15Å; Q556-Q558 PolarHBondContact O-N 3.13Å; Q558-Q561 PolarHBondContact O-N 3.45Å; Q558-K562 VanDerWaalsContact O-CG 3.32Å; Q558-K562 WeakPolarHBondContact O-CG 3.39Å; Q558-K562 PolarHBondContact O-N 3.01Å; Q558-K562 VanDerWaalsContact O-N 3.07Å
559	E	88.1	Confident	90.5	Very high	35 Å²	35	54.4 Å²	54.4	16%	0.164	29%	0.285	C	S	.	.	H	α-helix	trans	-68.4	-40	176.3	-58	-41.6	132.8	0	0	112.1	R555 Q556 Q561 K562 L563 T607 Q609	R555-E559 WeakPolarHBondContact O-CG 3.41Å; R555-E559 PolarHBondContact O-N 3.25Å; Q556-E559 PolarHBondContact O-N 3.17Å; E559-Q561 VanDerWaalsContact C-N 3.33Å; E559-Q561 PolarHBondContact O-N 3.08Å; E559-K562 PolarHBondContact O-N 3.15Å; E559-K562 IonicContact OE1-NZ 2.7Å; E559-K562 PolarHBondContact OE1-NZ 3.01Å; E559-K562 VanDerWaalsContact OE2-CD 3.31Å; E559-K562 WeakPolarHBondContact OE2-CD 3.23Å; E559-K562 IonicContact OE2-NZ 3.21Å; E559-K562 PolarHBondContact OE2-NZ 3.2Å; E559-L563 WeakPolarHBondContact O-CB 3.2Å; E559-L563 PolarHBondContact O-N 2.87Å; E559-T607 HydrophobicContact CB-CG2 4.21Å; E559-Q609 HydrophobicContact CB-CG 4.38Å; E559-Q609 HydrophobicContact CG-CG 4.16Å
560	Q	90	Very high	90.5	Very high	81 Å²	81	53.1 Å²	53.1	38%	0.379	27%	0.274	S	S	.	.	H	α-helix	trans	-60.2	-41.1	173.5	-73.5	173.7	2.3	0	0	112	Q556 R557 L563 A564 T607	Q556-Q560 WeakPolarHBondContact O-CB 3.48Å; Q556-Q560 VanDerWaalsContact O-CG 3.25Å; Q556-Q560 WeakPolarHBondContact O-CG 3.48Å; Q556-Q560 PolarHBondContact O-N 3.08Å; R557-Q560 PolarHBondContact O-N 3.33Å; Q560-L563 PolarHBondContact O-N 3.41Å; Q560-A564 WeakPolarHBondContact O-CB 3.2Å; Q560-A564 PolarHBondContact O-N 3.47Å; Q560-T607 HydrophobicContact CG-CG2 3.68Å
561	Q	90.3	Very high	90.2	Very high	121 Å²	121	57.2 Å²	57.2	57%	0.565	30%	0.296	S	S	*	.	H	α-helix	trans	-67.9	-38.1	177.9	-173.5	173.1	-7.1	0	0	112.3	R557 Q558 E559 T565	R557-Q561 WeakPolarHBondContact O-CB 3.16Å; R557-Q561 PolarHBondContact O-N 3.43Å; Q558-Q561 PolarHBondContact O-N 3.45Å; E559-Q561 VanDerWaalsContact C-N 3.33Å; E559-Q561 PolarHBondContact O-N 3.08Å; Q561-T565 WeakPolarHBondContact O-CB 3.49Å; Q561-T565 PolarHBondContact O-N 3.01Å; Q561-T565 PolarHBondContact O-OG1 2.78Å
562	K	90.7	Very high	90	Very high	101 Å²	101	58.5 Å²	58.5	44%	0.439	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-46.7	171.2	-67.2	168.2	-158.2	169.1	0	111.2	Q558 E559 A564 T565 I566	Q558-K562 VanDerWaalsContact O-CG 3.32Å; Q558-K562 WeakPolarHBondContact O-CG 3.39Å; Q558-K562 PolarHBondContact O-N 3.01Å; Q558-K562 VanDerWaalsContact O-N 3.07Å; E559-K562 PolarHBondContact O-N 3.15Å; E559-K562 IonicContact OE1-NZ 2.7Å; E559-K562 PolarHBondContact OE1-NZ 3.01Å; E559-K562 VanDerWaalsContact OE2-CD 3.31Å; E559-K562 WeakPolarHBondContact OE2-CD 3.23Å; E559-K562 IonicContact OE2-NZ 3.21Å; E559-K562 PolarHBondContact OE2-NZ 3.2Å; K562-A564 PolarHBondContact O-N 2.84Å; K562-T565 WeakPolarHBondContact O-CB 3.48Å; K562-T565 PolarHBondContact O-N 2.8Å; K562-T565 VanDerWaalsContact O-N 3.15Å; K562-I566 WeakPolarHBondContact O-CD1 3.29Å; K562-I566 WeakPolarHBondContact O-CG1 3.45Å; K562-I566 PolarHBondContact O-N 2.81Å
563	L	94.1	Very high	90	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-43.7	179.1	-170	67.4	0	0	0	111.5	E559 Q560 T565 I566 S567 L595 M596 T607 R608 F633	E559-L563 WeakPolarHBondContact O-CB 3.2Å; E559-L563 PolarHBondContact O-N 2.87Å; Q560-L563 PolarHBondContact O-N 3.41Å; L563-T565 VanDerWaalsContact C-N 3.35Å; L563-T565 PolarHBondContact O-N 3.15Å; L563-I566 PolarHBondContact O-N 3.35Å; L563-S567 WeakPolarHBondContact O-CB 3.29Å; L563-S567 PolarHBondContact O-N 3.32Å; L563-L595 HydrophobicContact CD1-CD1 4.21Å; L563-L595 HydrophobicContact CD1-CD2 4.06Å; L563-L595 HydrophobicContact CD1-CG 3.81Å; L563-L595 HydrophobicContact CG-CG 4.35Å; L563-M596 HydrophobicContact CB-CE 4.22Å; L563-M596 HydrophobicContact CB-SD 4.11Å; L563-M596 HydrophobicContact CD2-CE 3.96Å; L563-M596 HydrophobicContact CD2-SD 3.87Å; L563-M596 HydrophobicContact CG-CE 4.19Å; L563-M596 HydrophobicContact CG-SD 3.68Å; L563-T607 HydrophobicContact CD2-CG2 4.38Å; L563-R608 HydrophobicContact CD1-CB 4.26Å; L563-R608 HydrophobicContact CD1-CG 4.09Å; L563-R608 HydrophobicContact CD2-CB 3.89Å; L563-F633 HydrophobicContact CD1-CD1 3.98Å; L563-F633 HydrophobicContact CD1-CE1 3.69Å
564	A	93.8	Very high	89.9	Confident	45 Å²	45	58.7 Å²	58.7	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-39.4	174.4	0	0	0	0	0	112.3	Q560 K562 I566 S567 A568 M596	Q560-A564 WeakPolarHBondContact O-CB 3.2Å; Q560-A564 PolarHBondContact O-N 3.47Å; K562-A564 PolarHBondContact O-N 2.84Å; A564-I566 VanDerWaalsContact C-N 3.33Å; A564-I566 PolarHBondContact O-N 3.26Å; A564-S567 PolarHBondContact O-N 2.95Å; A564-A568 PolarHBondContact O-N 3.04Å; A564-M596 HydrophobicContact CB-CE 4.07Å; A564-M596 HydrophobicContact CB-SD 4.13Å
565	T	93.4	Very high	89.8	Confident	85 Å²	85	59 Å²	59	52%	0.521	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-38.8	174.7	-56	0	0	0	0	111.6	Q561 K562 L563 R569	Q561-T565 WeakPolarHBondContact O-CB 3.49Å; Q561-T565 PolarHBondContact O-N 3.01Å; Q561-T565 PolarHBondContact O-OG1 2.78Å; K562-T565 WeakPolarHBondContact O-CB 3.48Å; K562-T565 PolarHBondContact O-N 2.8Å; K562-T565 VanDerWaalsContact O-N 3.15Å; L563-T565 VanDerWaalsContact C-N 3.35Å; L563-T565 PolarHBondContact O-N 3.15Å; T565-R569 PolarHBondContact O-N 3.25Å
566	I	93.2	Very high	89.7	Confident	11 Å²	11	59.8 Å²	59.8	6%	0.056	31%	0.314	C	S	.	.	H	α-helix	trans	-71.3	-39.6	174.6	-59.8	154.8	0	0	0	110.9	K562 L563 A564 A568 R569 I570 L595 L610 F631 F633	K562-I566 WeakPolarHBondContact O-CD1 3.29Å; K562-I566 WeakPolarHBondContact O-CG1 3.45Å; K562-I566 PolarHBondContact O-N 2.81Å; L563-I566 PolarHBondContact O-N 3.35Å; A564-I566 VanDerWaalsContact C-N 3.33Å; A564-I566 PolarHBondContact O-N 3.26Å; I566-A568 VanDerWaalsContact C-N 3.29Å; I566-A568 PolarHBondContact O-N 3.22Å; I566-R569 WeakPolarHBondContact O-CB 3.43Å; I566-R569 PolarHBondContact O-N 3.24Å; I566-R569 VanDerWaalsContact O-N 3.07Å; I566-I570 PolarHBondContact O-N 3.42Å; I566-L595 HydrophobicContact CB-CD2 4.36Å; I566-L595 HydrophobicContact CG2-CD2 3.97Å; I566-L610 HydrophobicContact CD1-CB 3.77Å; I566-L610 HydrophobicContact CD1-CD2 3.67Å; I566-L610 HydrophobicContact CD1-CG 4.2Å; I566-L610 HydrophobicContact CG1-CD2 4.47Å; I566-F631 HydrophobicContact CG2-CD1 3.83Å; I566-F631 HydrophobicContact CG2-CE1 3.78Å; I566-F633 HydrophobicContact CD1-CE1 4.2Å; I566-F633 HydrophobicContact CG2-CE1 4.31Å; I566-F633 HydrophobicContact CG2-CZ 3.86Å
567	S	93.3	Very high	89.4	Confident	35 Å²	35	65.1 Å²	65.1	25%	0.245	34%	0.339	C	S	.	.	H	α-helix	trans	-61.5	-36.7	175.4	-162.7	0	0	0	0	111.9	L563 A564 R569 I570	L563-S567 WeakPolarHBondContact O-CB 3.29Å; L563-S567 PolarHBondContact O-N 3.32Å; A564-S567 PolarHBondContact O-N 2.95Å; S567-R569 VanDerWaalsContact C-N 3.28Å; S567-R569 PolarHBondContact O-N 2.78Å; S567-I570 PolarHBondContact O-N 2.74Å; S567-I570 VanDerWaalsContact O-N 3.12Å
568	A	92.7	Very high	89.2	Confident	68 Å²	68	62 Å²	62	56%	0.562	34%	0.337	S	S	*	.	H	α-helix	trans	-68.7	-22.7	175.1	0	0	0	0	0	113.9	A564 I566 I570 K648	A564-A568 PolarHBondContact O-N 3.04Å; I566-A568 VanDerWaalsContact C-N 3.29Å; I566-A568 PolarHBondContact O-N 3.22Å; A568-I570 VanDerWaalsContact C-N 3.29Å; A568-K648 WeakPolarHBondContact O-CE 3.14Å
569	R	92.1	Very high	89.1	Confident	69 Å²	69	64.5 Å²	64.5	26%	0.26	36%	0.362	S	S	.	.	H	α-helix	trans	-75.7	-15.7	171.4	-68.7	164	59.6	-160.4	-5	112.4	T565 I566 S567 E613 K648 V649	T565-R569 PolarHBondContact O-N 3.25Å; I566-R569 WeakPolarHBondContact O-CB 3.43Å; I566-R569 PolarHBondContact O-N 3.24Å; I566-R569 VanDerWaalsContact O-N 3.07Å; S567-R569 VanDerWaalsContact C-N 3.28Å; S567-R569 PolarHBondContact O-N 2.78Å; R569-E613 IonicContact CZ-OE2 3.36Å; R569-E613 IonicContact NH1-OE1 2.75Å; R569-E613 PolarHBondContact NH1-OE1 3.06Å; R569-E613 VanDerWaalsContact NH1-OE1 3.11Å; R569-E613 IonicContact NH1-OE2 3.17Å; R569-E613 PolarHBondContact NH1-OE2 3.05Å; R569-E613 IonicContact NH2-OE2 3.63Å; R569-E613 PolarHBondContact NH2-OE2 3.21Å; R569-K648 CarbonylContact O-C 3.29Å; R569-K648 WeakPolarHBondContact O-CA 3.26Å; R569-K648 WeakPolarHBondContact O-CB 3.29Å; R569-V649 WeakPolarHBondContact O-CG2 3.45Å; R569-V649 PolarHBondContact O-N 3.31Å
570	I	91.5	Very high	89.3	Confident	26 Å²	26	65.3 Å²	65.3	13%	0.133	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	125.7	177.7	-60.9	169.2	0	0	0	109.1	I566 S567 A568 L595 L638 V649 I651	I566-I570 PolarHBondContact O-N 3.42Å; S567-I570 PolarHBondContact O-N 2.74Å; S567-I570 VanDerWaalsContact O-N 3.12Å; A568-I570 VanDerWaalsContact C-N 3.29Å; I570-L595 HydrophobicContact CD1-CD2 3.81Å; I570-L638 HydrophobicContact CD1-CD1 3.77Å; I570-V649 CarbonylContact C-O 3.54Å; I570-V649 WeakPolarHBondContact CA-O 3.31Å; I570-V649 HydrophobicContact CG1-CG2 4Å; I570-I651 HydrophobicContact CD1-CD1 4.42Å; I570-I651 HydrophobicContact CG2-CD1 3.91Å; I570-I651 HydrophobicContact CG2-CG1 4.07Å
571	D	86.9	Confident	89.2	Confident	86 Å²	86	69.4 Å²	69.4	46%	0.46	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-44	-176.1	-153.2	43.5	0	0	0	113.1	V643 K648 V649	D571-V643 HydrophobicContact CB-CG2 4.29Å; D571-K648 HydrophobicContact CB-CB 4.15Å; D571-K648 HydrophobicContact CB-CD 3.64Å; D571-K648 WeakPolarHBondContact OD1-CD 3.48Å; D571-K648 WeakPolarHBondContact OD1-CE 3.32Å; D571-K648 IonicContact OD1-NZ 2.78Å; D571-K648 PolarHBondContact OD1-NZ 3.09Å; D571-V649 PolarHBondContact N-O 3.12Å
572	S	84.3	Confident	89.2	Confident	32 Å²	32	70.5 Å²	70.5	22%	0.224	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	158.5	-173.5	62.6	0	0	0	0	112.4	E574 K650 I651	S572-E574 WeakPolarHBondContact CB-OE1 2.93Å; S572-E574 PolarHBondContact OG-OE1 2.96Å; S572-K650 WeakPolarHBondContact O-CA 3.41Å; S572-K650 WeakPolarHBondContact OG-CB 3.46Å; S572-I651 PolarHBondContact O-N 2.69Å
573	Y	89.3	Confident	89.1	Confident	47 Å²	47	68.2 Å²	68.2	18%	0.184	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	111.3	168.7	-178.4	-96.7	0	0	0	109.2	A575 N591 F593 I651 P655	Y573-A575 HydrophobicContact CE1-CB 3.8Å; Y573-A575 HydrophobicContact CE2-CB 3.8Å; Y573-A575 WeakPolarHBondContact OH-CB 3.3Å; Y573-N591 HydrophobicContact CD1-CB 3.89Å; Y573-F593 HydrophobicContact CD2-CB 3.82Å; Y573-F593 HydrophobicContact CD2-CG 4.48Å; Y573-F593 HydrophobicContact CE2-CB 4.4Å; Y573-F593 HydrophobicContact CG-CB 4.17Å; Y573-I651 HydrophobicContact CD2-CB 3.87Å; Y573-I651 HydrophobicContact CD2-CD1 4.06Å; Y573-I651 HydrophobicContact CD2-CG2 3.63Å; Y573-I651 HydrophobicContact CE2-CG2 3.77Å; Y573-P655 HydrophobicContact CE2-CG 4.33Å
574	E	87.7	Confident	88.8	Confident	77 Å²	77	73.7 Å²	73.7	36%	0.36	42%	0.415	S	S	.	.			trans	-134.2	51.4	-174	-67.3	177	-130.3	0	0	109.5	S572 V576 K650 I651	S572-E574 WeakPolarHBondContact CB-OE1 2.93Å; S572-E574 PolarHBondContact OG-OE1 2.96Å; E574-V576 VanDerWaalsContact C-N 3.35Å; E574-K650 HydrophobicContact CB-CD 4.49Å; E574-K650 VanDerWaalsContact CD-CD 3.44Å; E574-K650 VanDerWaalsContact CD-NZ 3.33Å; E574-K650 HydrophobicContact CG-CD 4.4Å; E574-K650 WeakPolarHBondContact OE1-CD 3.47Å; E574-K650 IonicContact OE1-NZ 2.57Å; E574-K650 PolarHBondContact OE1-NZ 2.91Å; E574-K650 WeakPolarHBondContact OE2-CD 3.41Å; E574-K650 IonicContact OE2-NZ 3.19Å; E574-K650 PolarHBondContact OE2-NZ 2.99Å; E574-I651 CarbonylContact C-O 3.55Å; E574-I651 VanDerWaalsContact C-O 3.29Å; E574-I651 WeakPolarHBondContact CA-O 3.35Å; E574-I651 PolarHBondContact N-O 2.83Å
575	A	85.6	Confident	88.6	Confident	18 Å²	18	79 Å²	79	15%	0.149	43%	0.429	C	S	.	.	S	Bend	trans	-80.2	-14.5	-179.3	0	0	0	0	0	114.2	Y573	Y573-A575 HydrophobicContact CE1-CB 3.8Å; Y573-A575 HydrophobicContact CE2-CB 3.8Å; Y573-A575 WeakPolarHBondContact OH-CB 3.3Å
576	V	85.4	Confident	88.3	Confident	83 Å²	83	79.2 Å²	79.2	50%	0.503	43%	0.427	S	S	.	.	S	Bend	trans	-131.5	127.1	-179	-177.9	0	0	0	0	108.1	E574 L587	E574-V576 VanDerWaalsContact C-N 3.35Å; V576-L587 HydrophobicContact CG1-CD1 4.14Å; V576-L587 HydrophobicContact CG1-CD2 4.32Å
577	E	81.3	Confident	88.1	Confident	180 Å²	180	80.6 Å²	80.6	84%	0.841	43%	0.434	S	S	*	.			trans	-92.3	131.2	178.5	-64.7	177.1	-178.1	0	0	109.7
578	G	81.6	Confident	87.7	Confident	31 Å²	31	86.9 Å²	86.9	32%	0.32	46%	0.457	S	S	.	.			trans	-79.6	143	178.1	0	0	0	0	0	112.3	S580	G578-S580 VanDerWaalsContact C-N 3.34Å
579	S	86	Confident	87.4	Confident	118 Å²	118	89.7 Å²	89.7	83%	0.825	46%	0.458	S	S	*	.	S	Bend	trans	-80.8	-12.6	176.8	53.7	0	0	0	0	114.2
580	S	91.2	Very high	87.1	Confident	51 Å²	51	94.7 Å²	94.7	36%	0.357	48%	0.479	S	S	.	.	S	Bend	trans	-151.8	162.9	173.5	73.3	0	0	0	0	110.4	G578 E582 V583 E584	G578-S580 VanDerWaalsContact C-N 3.34Å; S580-E582 PolarHBondContact O-N 3.05Å; S580-V583 PolarHBondContact O-N 3.49Å; S580-V583 VanDerWaalsContact O-N 3.14Å; S580-V583 WeakPolarHBondContact OG-CG2 3.45Å; S580-V583 PolarHBondContact OG-N 2.81Å; S580-E584 PolarHBondContact O-N 2.84Å
581	E	88.6	Confident	86.8	Confident	168 Å²	168	95.5 Å²	95.5	79%	0.785	48%	0.483	S	S	*	.	H	α-helix	trans	-59.5	-33.2	175.7	-175	178.2	-175.4	0	0	112.5	K585	E581-K585 VanDerWaalsContact O-CB 3.27Å; E581-K585 WeakPolarHBondContact O-CB 3.28Å; E581-K585 PolarHBondContact O-N 3.08Å
582	E	90.9	Very high	86.5	Confident	144 Å²	144	101.7 Å²	101.7	67%	0.673	50%	0.5	S	S	*	.	H	α-helix	trans	-65.7	-45.8	173.8	-178.7	174.9	-149.6	0	0	111.6	S580 K585 I586	S580-E582 PolarHBondContact O-N 3.05Å; E582-K585 PolarHBondContact O-N 3.3Å; E582-I586 HydrophobicContact CG-CD1 4.31Å; E582-I586 WeakPolarHBondContact O-CG1 3.47Å; E582-I586 PolarHBondContact O-N 2.91Å; E582-I586 VanDerWaalsContact O-N 3.08Å
583	V	89.3	Confident	86.7	Confident	53 Å²	53	102.9 Å²	102.9	32%	0.321	50%	0.501	S	S	.	.	H	α-helix	trans	-65.7	-41	176	172.4	0	0	0	0	110.9	S580 I586 L587	S580-V583 PolarHBondContact O-N 3.49Å; S580-V583 VanDerWaalsContact O-N 3.14Å; S580-V583 WeakPolarHBondContact OG-CG2 3.45Å; S580-V583 PolarHBondContact OG-N 2.81Å; V583-I586 PolarHBondContact O-N 3.2Å; V583-L587 HydrophobicContact CG1-CD1 3.89Å; V583-L587 HydrophobicContact CG1-CG 4.22Å; V583-L587 WeakPolarHBondContact O-CB 3.47Å; V583-L587 VanDerWaalsContact O-CG 3.28Å; V583-L587 WeakPolarHBondContact O-CG 3.33Å; V583-L587 PolarHBondContact O-N 2.92Å
584	E	87.8	Confident	86.8	Confident	121 Å²	121	104.6 Å²	104.6	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-63.2	-41	176.3	-172.1	176	-169.2	0	0	111.9	S580 I586 L587 K588	S580-E584 PolarHBondContact O-N 2.84Å; E584-I586 PolarHBondContact O-N 2.71Å; E584-L587 PolarHBondContact O-N 3.49Å; E584-K588 WeakPolarHBondContact O-CB 3.47Å; E584-K588 PolarHBondContact O-N 2.94Å
585	K	88	Confident	87	Confident	155 Å²	155	101 Å²	101	67%	0.674	50%	0.497	S	S	*	.	H	α-helix	trans	-60.5	-42	173.9	-177.3	-175.5	174.8	-170.1	0	112.1	E581 E582 K588	E581-K585 VanDerWaalsContact O-CB 3.27Å; E581-K585 WeakPolarHBondContact O-CB 3.28Å; E581-K585 PolarHBondContact O-N 3.08Å; E582-K585 PolarHBondContact O-N 3.3Å; K585-K588 WeakPolarHBondContact O-CB 3.24Å
586	I	88.7	Confident	87.3	Confident	91 Å²	91	103.8 Å²	103.8	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-68.9	-48	176.4	-65.7	163.7	0	0	0	110.6	E582 V583 E584 K588 E589 Y590	E582-I586 HydrophobicContact CG-CD1 4.31Å; E582-I586 WeakPolarHBondContact O-CG1 3.47Å; E582-I586 PolarHBondContact O-N 2.91Å; E582-I586 VanDerWaalsContact O-N 3.08Å; V583-I586 PolarHBondContact O-N 3.2Å; E584-I586 PolarHBondContact O-N 2.71Å; I586-K588 PolarHBondContact O-N 2.82Å; I586-K588 VanDerWaalsContact O-N 3.15Å; I586-E589 PolarHBondContact O-N 3.45Å; I586-E589 VanDerWaalsContact O-N 3.07Å; I586-Y590 HydrophobicContact CG2-CE2 4.32Å; I586-Y590 WeakPolarHBondContact O-CD2 3.32Å
587	L	88.1	Confident	87.5	Confident	40 Å²	40	102 Å²	102	21%	0.209	50%	0.499	C	S	.	.	H	α-helix	trans	-55.3	-33.5	177.5	-76	171.6	0	0	0	112.3	V576 V583 E584 E589 Y590 N591	V576-L587 HydrophobicContact CG1-CD1 4.14Å; V576-L587 HydrophobicContact CG1-CD2 4.32Å; V583-L587 HydrophobicContact CG1-CD1 3.89Å; V583-L587 HydrophobicContact CG1-CG 4.22Å; V583-L587 WeakPolarHBondContact O-CB 3.47Å; V583-L587 VanDerWaalsContact O-CG 3.28Å; V583-L587 WeakPolarHBondContact O-CG 3.33Å; V583-L587 PolarHBondContact O-N 2.92Å; E584-L587 PolarHBondContact O-N 3.49Å; L587-E589 PolarHBondContact O-N 2.82Å; L587-Y590 CarbonylContact O-C 3.43Å; L587-Y590 PolarHBondContact O-N 3.39Å; L587-N591 WeakPolarHBondContact O-CB 3.43Å; L587-N591 VanDerWaalsContact O-CG 3.31Å; L587-N591 PolarHBondContact O-N 3.13Å
588	K	85.3	Confident	87.9	Confident	167 Å²	167	98.4 Å²	98.4	73%	0.726	49%	0.491	S	S	*	.	H	α-helix	trans	-58.5	-27.1	178.2	-166.7	170.5	-177.1	172.1	0	114.2	E584 K585 I586 Y590	E584-K588 WeakPolarHBondContact O-CB 3.47Å; E584-K588 PolarHBondContact O-N 2.94Å; K585-K588 WeakPolarHBondContact O-CB 3.24Å; I586-K588 PolarHBondContact O-N 2.82Å; I586-K588 VanDerWaalsContact O-N 3.15Å; K588-Y590 VanDerWaalsContact C-N 3.34Å
589	E	85.9	Confident	88.4	Confident	126 Å²	126	97.5 Å²	97.5	59%	0.589	48%	0.479	S	S	*	.	H	α-helix	trans	-74	-27.7	176.6	-59.4	-172.3	-179	0	0	112.5	I586 L587 R592	I586-E589 PolarHBondContact O-N 3.45Å; I586-E589 VanDerWaalsContact O-N 3.07Å; L587-E589 PolarHBondContact O-N 2.82Å; E589-R592 PolarHBondContact O-NH1 3.04Å
590	Y	86.8	Confident	88.4	Confident	175 Å²	175	99.6 Å²	99.6	69%	0.686	47%	0.469	S	S	*	.	H	α-helix	trans	-98.3	-16.2	-179.6	-61.6	-85.1	0	0	0	113.7	I586 L587 K588 R592	I586-Y590 HydrophobicContact CG2-CE2 4.32Å; I586-Y590 WeakPolarHBondContact O-CD2 3.32Å; L587-Y590 CarbonylContact O-C 3.43Å; L587-Y590 PolarHBondContact O-N 3.39Å; K588-Y590 VanDerWaalsContact C-N 3.34Å; Y590-R592 PolarHBondContact O-N 3.29Å
591	N	84.4	Confident	88.1	Confident	42 Å²	42	102.8 Å²	102.8	23%	0.225	48%	0.478	C	S	.	.			trans	-73.9	54.8	176.6	-80.5	-19.2	0	0	0	112.7	Y573 L587	Y573-N591 HydrophobicContact CD1-CB 3.89Å; L587-N591 WeakPolarHBondContact O-CB 3.43Å; L587-N591 VanDerWaalsContact O-CG 3.31Å; L587-N591 PolarHBondContact O-N 3.13Å
592	R	80.3	Confident	88.1	Confident	216 Å²	216	95.5 Å²	95.5	82%	0.815	45%	0.445	S	S	*	.			trans	-106.9	118.5	177.5	-77.2	173.7	149.5	136.2	-11.6	110.3	E589 Y590	E589-R592 PolarHBondContact O-NH1 3.04Å; Y590-R592 PolarHBondContact O-N 3.29Å
593	F	88.7	Confident	87.8	Confident	57 Å²	57	89.6 Å²	89.6	25%	0.25	42%	0.42	C	S	.	.			trans	-130.2	130.6	168.3	174.4	-103.4	0	0	0	108.9	Y573 L595 L636 L638 I651 P655	Y573-F593 HydrophobicContact CD2-CB 3.82Å; Y573-F593 HydrophobicContact CD2-CG 4.48Å; Y573-F593 HydrophobicContact CE2-CB 4.4Å; Y573-F593 HydrophobicContact CG-CB 4.17Å; F593-L595 HydrophobicContact CE1-CB 3.87Å; F593-L595 HydrophobicContact CE1-CD1 4.15Å; F593-L595 HydrophobicContact CZ-CB 4.36Å; F593-L595 HydrophobicContact CZ-CD1 4.05Å; F593-L636 HydrophobicContact CE2-CD2 4.29Å; F593-L636 HydrophobicContact CZ-CD1 4.31Å; F593-L636 HydrophobicContact CZ-CD2 4.15Å; F593-L638 HydrophobicContact CE1-CD1 4Å; F593-L638 HydrophobicContact CE1-CD2 4.06Å; F593-L638 HydrophobicContact CZ-CD1 4.38Å; F593-L638 HydrophobicContact CZ-CD2 3.9Å; F593-I651 HydrophobicContact CD1-CD1 3.35Å; F593-I651 HydrophobicContact CE1-CD1 3.77Å; F593-I651 HydrophobicContact CG-CD1 4.09Å; F593-P655 HydrophobicContact CD2-CB 4.48Å; F593-P655 HydrophobicContact CD2-CG 3.53Å; F593-P655 HydrophobicContact CE2-CB 3.98Å; F593-P655 HydrophobicContact CE2-CG 3.51Å; F593-P655 HydrophobicContact CG-CG 4.37Å; F593-P655 HydrophobicContact CZ-CG 4.32Å
594	D	90.3	Very high	87.4	Confident	84 Å²	84	91.5 Å²	91.5	45%	0.449	43%	0.433	S	S	.	.			trans	-118.1	113.5	175.8	173.6	23	0	0	0	109.6	M596 S597	D594-M596 VanDerWaalsContact C-N 3.26Å; D594-M596 PolarHBondContact O-N 3.41Å; D594-M596 WeakPolarHBondContact OD1-CB 3.07Å; D594-M596 PolarHBondContact OD1-N 3.05Å; D594-S597 PolarHBondContact O-OG 3.47Å; D594-S597 PolarHBondContact OD2-N 3.18Å; D594-S597 VanDerWaalsContact OD2-N 3.14Å
595	L	92.5	Very high	87.1	Confident	2 Å²	2	90.6 Å²	90.6	1%	0.01	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.6	178.4	-174.2	60	0	0	0	112.6	L563 I566 I570 F593 R608 F633 L636 L638	L563-L595 HydrophobicContact CD1-CD1 4.21Å; L563-L595 HydrophobicContact CD1-CD2 4.06Å; L563-L595 HydrophobicContact CD1-CG 3.81Å; L563-L595 HydrophobicContact CG-CG 4.35Å; I566-L595 HydrophobicContact CB-CD2 4.36Å; I566-L595 HydrophobicContact CG2-CD2 3.97Å; I570-L595 HydrophobicContact CD1-CD2 3.81Å; F593-L595 HydrophobicContact CE1-CB 3.87Å; F593-L595 HydrophobicContact CE1-CD1 4.15Å; F593-L595 HydrophobicContact CZ-CB 4.36Å; F593-L595 HydrophobicContact CZ-CD1 4.05Å; L595-R608 PolarHBondContact O-NH1 3.41Å; L595-F633 HydrophobicContact CD1-CD1 4.49Å; L595-F633 HydrophobicContact CD1-CD2 4.27Å; L595-F633 HydrophobicContact CD1-CE1 4.1Å; L595-F633 HydrophobicContact CD1-CE2 3.83Å; L595-F633 HydrophobicContact CD1-CZ 3.74Å; L595-F633 HydrophobicContact CD2-CE1 4.11Å; L595-F633 HydrophobicContact CD2-CE2 4.41Å; L595-F633 HydrophobicContact CD2-CZ 3.66Å; L595-F633 HydrophobicContact CG-CZ 4.3Å; L595-L636 HydrophobicContact CD1-CD1 4.48Å; L595-L638 HydrophobicContact CD1-CD1 4.43Å
596	M	91.7	Very high	87	Confident	76 Å²	76	86.7 Å²	86.7	37%	0.374	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-12.7	178.8	-55.4	-55.4	-60.1	0	0	113.2	L563 A564 D594	L563-M596 HydrophobicContact CB-CE 4.22Å; L563-M596 HydrophobicContact CB-SD 4.11Å; L563-M596 HydrophobicContact CD2-CE 3.96Å; L563-M596 HydrophobicContact CD2-SD 3.87Å; L563-M596 HydrophobicContact CG-CE 4.19Å; L563-M596 HydrophobicContact CG-SD 3.68Å; A564-M596 HydrophobicContact CB-CE 4.07Å; A564-M596 HydrophobicContact CB-SD 4.13Å; D594-M596 VanDerWaalsContact C-N 3.26Å; D594-M596 PolarHBondContact O-N 3.41Å; D594-M596 WeakPolarHBondContact OD1-CB 3.07Å; D594-M596 PolarHBondContact OD1-N 3.05Å
597	S	90.6	Very high	87	Confident	46 Å²	46	83.3 Å²	83.3	32%	0.322	40%	0.396	S	S	.	.	S	Bend	trans	-57.8	142.9	178.6	62.2	0	0	0	0	112.3	D594 R608	D594-S597 PolarHBondContact O-OG 3.47Å; D594-S597 PolarHBondContact OD2-N 3.18Å; D594-S597 VanDerWaalsContact OD2-N 3.14Å; S597-R608 PolarHBondContact O-NH1 3.32Å; S597-R608 PolarHBondContact O-NH2 3.12Å
598	P	90.2	Very high	87.3	Confident	104 Å²	104	81.9 Å²	81.9	68%	0.675	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-53.9	153.3	-179.6	-28.9	36.1	0	0	0	114.2
599	M	91.4	Very high	87.7	Confident	12 Å²	12	76.4 Å²	76.4	6%	0.059	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-70.2	151.4	173.8	-65.6	-163.2	-59	0	0	111.1	T602 E606 R608 T634 D635 L714	M599-T602 WeakPolarHBondContact CB-OG1 3.44Å; M599-T602 HydrophobicContact CE-CG2 4.33Å; M599-E606 HydrophobicContact CE-CB 3.77Å; M599-R608 HydrophobicContact CG-CB 4.02Å; M599-R608 HydrophobicContact SD-CB 4.24Å; M599-T634 VanDerWaalsContact SD-CB 3.56Å; M599-T634 PolarHBondContact SD-OG1 3.26Å; M599-D635 HydrophobicContact CB-CB 4.45Å; M599-D635 HydrophobicContact CG-CB 4.19Å; M599-D635 HydrophobicContact SD-CB 3.86Å; M599-L714 HydrophobicContact CE-CD1 4.26Å
600	R	85.9	Confident	88.1	Confident	162 Å²	162	72.9 Å²	72.9	61%	0.611	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	134.8	-179.1	-63.7	-174.1	-176.7	-172.4	0.6	112	T602 R715	R600-T602 VanDerWaalsContact C-N 3.28Å; R600-T602 PolarHBondContact O-N 2.8Å; R600-R715 PolarHBondContact O-NH2 3.23Å
601	E	84.4	Confident	88.5	Confident	118 Å²	118	67.8 Å²	67.8	55%	0.551	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	25	176.2	-53.2	138.3	-101.8	0	0	114.1	R715	E601-R715 HydrophobicContact CB-CG 4.21Å; E601-R715 VanDerWaalsContact CD-CZ 3.43Å; E601-R715 VanDerWaalsContact CD-NH1 3.32Å; E601-R715 VanDerWaalsContact O-CG 3.31Å; E601-R715 WeakPolarHBondContact O-CG 3.42Å; E601-R715 IonicContact OE1-CZ 2.74Å; E601-R715 IonicContact OE1-NH1 2.71Å; E601-R715 PolarHBondContact OE1-NH1 2.88Å; E601-R715 IonicContact OE1-NH2 2.76Å; E601-R715 PolarHBondContact OE1-NH2 2.89Å; E601-R715 IonicContact OE2-CZ 2.73Å; E601-R715 IonicContact OE2-NH1 2.72Å; E601-R715 PolarHBondContact OE2-NH1 2.85Å; E601-R715 IonicContact OE2-NH2 3.57Å; E601-R715 PolarHBondContact OE2-NH2 3.27Å
602	T	88.2	Confident	89.1	Confident	14 Å²	14	67.8 Å²	67.8	9%	0.086	33%	0.332	C	S	.	.	S	Bend	trans	-123.7	169	171.7	59.8	0	0	0	0	110.1	M599 R600 L711 L714 R715	M599-T602 WeakPolarHBondContact CB-OG1 3.44Å; M599-T602 HydrophobicContact CE-CG2 4.33Å; R600-T602 VanDerWaalsContact C-N 3.28Å; R600-T602 PolarHBondContact O-N 2.8Å; T602-L711 HydrophobicContact CG2-CD1 4.26Å; T602-L714 HydrophobicContact CG2-CB 3.83Å; T602-R715 HydrophobicContact CG2-CG 4.08Å
603	S	85.4	Confident	89.9	Confident	21 Å²	21	60.6 Å²	60.6	15%	0.147	31%	0.308	C	S	.	.			trans	-63.1	152	176.2	97.8	0	0	0	0	111.5	E605 E606 E718	S603-E605 WeakPolarHBondContact CB-OE2 3.38Å; S603-E605 PolarHBondContact O-N 3.23Å; S603-E605 PolarHBondContact OG-OE2 2.97Å; S603-E606 PolarHBondContact O-N 3.14Å; S603-E718 WeakPolarHBondContact CA-OE2 3.46Å; S603-E718 WeakPolarHBondContact CB-OE2 3.42Å
604	P	80.8	Confident	90.2	Very high	93 Å²	93	58.3 Å²	58.3	60%	0.604	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-15.1	-177.4	29.2	-35.8	0	0	0	113.9
605	E	80.5	Confident	90.4	Very high	102 Å²	102	56.7 Å²	56.7	48%	0.477	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-27	175.1	-56.1	77.3	-167.3	0	0	112.3	Q556 S603 T607	Q556-E605 PolarHBondContact NE2-O 2.88Å; S603-E605 WeakPolarHBondContact CB-OE2 3.38Å; S603-E605 PolarHBondContact O-N 3.23Å; S603-E605 PolarHBondContact OG-OE2 2.97Å; E605-T607 PolarHBondContact O-N 3.21Å
606	E	86.5	Confident	90.6	Very high	73 Å²	73	56.9 Å²	56.9	34%	0.341	30%	0.3	S	S	.	.			trans	-71.4	110.4	-177.9	-76.4	-66.3	171.8	0	0	112	M599 S603 L714	M599-E606 HydrophobicContact CE-CB 3.77Å; S603-E606 PolarHBondContact O-N 3.14Å; E606-L714 HydrophobicContact CG-CD2 4.19Å
607	T	89.1	Confident	90.7	Very high	19 Å²	19	59.1 Å²	59.1	12%	0.117	30%	0.304	C	S	.	.			trans	-86.1	138.4	-180	-62.6	0	0	0	0	110.7	E559 Q560 L563 E605 Q609	E559-T607 HydrophobicContact CB-CG2 4.21Å; Q560-T607 HydrophobicContact CG-CG2 3.68Å; L563-T607 HydrophobicContact CD2-CG2 4.38Å; E605-T607 PolarHBondContact O-N 3.21Å; T607-Q609 PolarHBondContact O-N 3.5Å
608	R	93.5	Very high	90.9	Very high	10 Å²	10	57 Å²	57	4%	0.038	29%	0.289	C	S	.	.			trans	-62.1	120.5	175.2	179.2	179.9	-67.3	105.4	11.9	111.2	L563 L595 S597 M599 F633 T634 D635	L563-R608 HydrophobicContact CD1-CB 4.26Å; L563-R608 HydrophobicContact CD1-CG 4.09Å; L563-R608 HydrophobicContact CD2-CB 3.89Å; L595-R608 PolarHBondContact O-NH1 3.41Å; S597-R608 PolarHBondContact O-NH1 3.32Å; S597-R608 PolarHBondContact O-NH2 3.12Å; M599-R608 HydrophobicContact CG-CB 4.02Å; M599-R608 HydrophobicContact SD-CB 4.24Å; R608-F633 HydrophobicContact CG-CB 3.67Å; R608-F633 HydrophobicContact CG-CD1 3.9Å; R608-F633 HydrophobicContact CG-CG 4.01Å; R608-T634 WeakPolarHBondContact CA-OG1 3.5Å; R608-D635 IonicContact CZ-OD1 3.46Å; R608-D635 IonicContact CZ-OD2 3.3Å; R608-D635 IonicContact NE-OD1 2.66Å; R608-D635 PolarHBondContact NE-OD1 3.18Å; R608-D635 IonicContact NE-OD2 3.5Å; R608-D635 IonicContact NH2-OD1 3.78Å; R608-D635 IonicContact NH2-OD2 2.85Å; R608-D635 PolarHBondContact NH2-OD2 3.06Å
609	Q	93.8	Very high	91	Very high	52 Å²	52	55.9 Å²	55.9	24%	0.243	27%	0.274	C	S	.	.			trans	-107.4	146.5	-179.4	-58.4	174.1	9.1	0	0	111	E559 T607 F633 T634	E559-Q609 HydrophobicContact CB-CG 4.38Å; E559-Q609 HydrophobicContact CG-CG 4.16Å; T607-Q609 PolarHBondContact O-N 3.5Å; Q609-F633 CarbonylContact O-C 3.6Å; Q609-F633 WeakPolarHBondContact O-CA 3.36Å; Q609-F633 WeakPolarHBondContact O-CB 3.27Å; Q609-T634 HydrophobicContact CB-CG2 3.87Å; Q609-T634 HydrophobicContact CG-CG2 4.39Å; Q609-T634 PolarHBondContact N-OG1 2.95Å; Q609-T634 PolarHBondContact O-N 3.13Å
610	L	95	Very high	90.7	Very high	53 Å²	53	58 Å²	58	28%	0.277	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	122.6	171.3	-179.1	74.7	0	0	0	109.7	I566 E613 F631 F633	I566-L610 HydrophobicContact CD1-CB 3.77Å; I566-L610 HydrophobicContact CD1-CD2 3.67Å; I566-L610 HydrophobicContact CD1-CG 4.2Å; I566-L610 HydrophobicContact CG1-CD2 4.47Å; L610-E613 HydrophobicContact CD1-CB 4.36Å; L610-E613 HydrophobicContact CD2-CB 4.12Å; L610-E613 HydrophobicContact CD2-CG 4.05Å; L610-F631 HydrophobicContact CD1-CB 3.92Å; L610-F631 HydrophobicContact CD1-CD1 4.1Å; L610-F633 HydrophobicContact CB-CD1 4.07Å; L610-F633 HydrophobicContact CB-CE1 4.03Å; L610-F633 HydrophobicContact CD1-CD1 4.05Å; L610-F633 HydrophobicContact CD1-CE1 3.79Å; L610-F633 HydrophobicContact CD1-CE2 4.43Å; L610-F633 HydrophobicContact CD1-CG 4.47Å; L610-F633 HydrophobicContact CD1-CZ 4Å
611	H	95.8	Very high	90.1	Very high	68 Å²	68	53.4 Å²	53.4	32%	0.315	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-35.8	177.8	-73	-92.6	0	0	0	113.4	L632 T634 V707 Q710	H611-L632 HydrophobicContact CB-CD2 4.36Å; H611-L632 HydrophobicContact CB-CG 4.28Å; H611-L632 PolarHBondContact N-O 2.98Å; H611-T634 WeakPolarHBondContact NE2-CG2 3.44Å; H611-V707 HydrophobicContact CB-CG2 3.86Å; H611-V707 VanDerWaalsContact CG-CG2 3.46Å; H611-Q710 PolarHBondContact CE1-OE1 3.2Å
612	L	97.1	Very high	89.1	Confident	41 Å²	41	56.5 Å²	56.5	22%	0.215	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	134.7	-179.3	-173.5	58.1	0	0	0	110.6	L632 W700 A703	L612-L632 HydrophobicContact CB-CB 4.24Å; L612-L632 HydrophobicContact CB-CD2 4.26Å; L612-L632 PolarHBondContact N-O 3.07Å; L612-L632 PolarHBondContact O-N 2.82Å; L612-W700 HydrophobicContact CB-CH2 4.46Å; L612-W700 HydrophobicContact CB-CZ3 4.48Å; L612-W700 HydrophobicContact CD2-CB 4.4Å; L612-W700 HydrophobicContact CD2-CD2 3.45Å; L612-W700 VanDerWaalsContact CD2-CD2 3.45Å; L612-W700 HydrophobicContact CD2-CE3 3.78Å; L612-W700 HydrophobicContact CD2-CG 3.76Å; L612-W700 HydrophobicContact CD2-CH2 4.35Å; L612-W700 HydrophobicContact CD2-CZ2 4.1Å; L612-W700 HydrophobicContact CD2-CZ3 4.23Å; L612-W700 HydrophobicContact CG-CD2 4.17Å; L612-W700 HydrophobicContact CG-CE3 4.33Å; L612-W700 HydrophobicContact CG-CH2 4.03Å; L612-W700 HydrophobicContact CG-CZ2 3.88Å; L612-W700 HydrophobicContact CG-CZ3 4.27Å; L612-A703 HydrophobicContact CB-CB 4.4Å; L612-A703 HydrophobicContact CD2-CB 3.94Å
613	E	96.1	Very high	87.5	Confident	65 Å²	65	63.4 Å²	63.4	30%	0.304	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	156.5	167.6	68.2	174.3	143.9	0	0	111.5	R569 L610 Y629 C630 F631	R569-E613 IonicContact CZ-OE2 3.36Å; R569-E613 IonicContact NH1-OE1 2.75Å; R569-E613 PolarHBondContact NH1-OE1 3.06Å; R569-E613 VanDerWaalsContact NH1-OE1 3.11Å; R569-E613 IonicContact NH1-OE2 3.17Å; R569-E613 PolarHBondContact NH1-OE2 3.05Å; R569-E613 IonicContact NH2-OE2 3.63Å; R569-E613 PolarHBondContact NH2-OE2 3.21Å; L610-E613 HydrophobicContact CD1-CB 4.36Å; L610-E613 HydrophobicContact CD2-CB 4.12Å; L610-E613 HydrophobicContact CD2-CG 4.05Å; E613-Y629 HydrophobicContact CB-CE1 3.9Å; E613-Y629 HydrophobicContact CG-CE1 4.24Å; E613-Y629 WeakPolarHBondContact CG-OH 3.34Å; E613-Y629 VanDerWaalsContact OE2-CE1 3.29Å; E613-Y629 WeakPolarHBondContact OE2-CE1 3.44Å; E613-Y629 PolarHBondContact OE2-OH 3.05Å; E613-Y629 VanDerWaalsContact OE2-OH 3.13Å; E613-C630 VanDerWaalsContact CA-O 3.25Å; E613-C630 WeakPolarHBondContact CA-O 3.38Å; E613-F631 HydrophobicContact CB-CD1 3.91Å; E613-F631 HydrophobicContact CB-CE1 4.35Å; E613-F631 HydrophobicContact CB-CG 4.49Å; E613-F631 WeakPolarHBondContact OE2-CE1 3.18Å
614	G	95.1	Very high	86.7	Confident	9 Å²	9	65 Å²	65	9%	0.093	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.9	167.5	173.7	0	0	0	0	0	116.1	Y629 C630	G614-Y629 WeakPolarHBondContact O-CA 3.47Å; G614-C630 PolarHBondContact N-O 2.75Å; G614-C630 VanDerWaalsContact N-O 3.08Å; G614-C630 PolarHBondContact O-N 3.05Å
615	A	95.3	Very high	86.9	Confident	51 Å²	51	71 Å²	71	42%	0.421	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	136.4	176.1	0	0	0	0	0	112	V628 Y629 Q696	A615-V628 WeakPolarHBondContact CA-O 3.37Å; A615-Y629 HydrophobicContact CB-CD2 4.17Å; A615-Q696 PolarHBondContact O-NE2 2.84Å
616	L	95.9	Very high	87.4	Confident	6 Å²	6	67.7 Å²	67.7	3%	0.031	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	161.2	176.5	-69	175.7	0	0	0	110.1	V628 C630 F672 F689 A691 W700	L616-V628 HydrophobicContact CB-CG2 4.13Å; L616-V628 PolarHBondContact N-O 2.82Å; L616-V628 WeakPolarHBondContact O-CG2 3.43Å; L616-V628 PolarHBondContact O-N 2.73Å; L616-V628 VanDerWaalsContact O-O 3.1Å; L616-C630 HydrophobicContact CD1-CB 4.33Å; L616-F672 HydrophobicContact CD1-CE1 4.4Å; L616-F672 HydrophobicContact CD1-CZ 3.91Å; L616-F689 HydrophobicContact CB-CD1 4.04Å; L616-F689 HydrophobicContact CD1-CB 4.22Å; L616-F689 HydrophobicContact CD1-CD1 3.8Å; L616-F689 HydrophobicContact CD1-CG 4.19Å; L616-A691 HydrophobicContact CD2-CB 3.77Å; L616-W700 HydrophobicContact CD1-CD2 4.03Å; L616-W700 HydrophobicContact CD1-CG 4.39Å; L616-W700 HydrophobicContact CD1-CZ2 4.13Å; L616-W700 HydrophobicContact CG-CZ2 4.5Å
617	R	94.8	Very high	87.7	Confident	123 Å²	123	70 Å²	70	46%	0.464	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	106.7	169.6	-67.6	-174.6	170.8	132.3	3.3	109.8	M626 E627 F689 Q690	R617-M626 CarbonylContact C-O 3.45Å; R617-E627 HydrophobicContact CG-CG 4.27Å; R617-E627 IonicContact CZ-OE1 2.75Å; R617-E627 IonicContact NE-OE1 3.69Å; R617-E627 PolarHBondContact NE-OE1 3.32Å; R617-E627 IonicContact NH2-OE1 3.68Å; R617-E627 PolarHBondContact NH2-OE1 3.13Å; R617-F689 CarbonylContact O-C 3.49Å; R617-F689 WeakPolarHBondContact O-CA 3.29Å; R617-Q690 HydrophobicContact CB-CB 4.32Å; R617-Q690 PolarHBondContact N-O 3.43Å; R617-Q690 PolarHBondContact O-N 3.32Å
618	M	94.7	Very high	88	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	142	176.9	-167.7	175	73.7	0	0	110.9	R625 M626 V628 V639 R653 Y687 T688 F689	M618-R625 WeakPolarHBondContact O-CA 3.45Å; M618-M626 HydrophobicContact CB-CG 4.13Å; M618-M626 HydrophobicContact CE-CE 4.16Å; M618-M626 HydrophobicContact CE-CG 4.18Å; M618-M626 HydrophobicContact CE-SD 3.58Å; M618-M626 VanDerWaalsContact CE-SD 3.58Å; M618-M626 PolarHBondContact N-O 3.33Å; M618-M626 PolarHBondContact O-N 3.48Å; M618-V628 HydrophobicContact CB-CG1 4.02Å; M618-V628 HydrophobicContact CB-CG2 3.89Å; M618-V628 HydrophobicContact CE-CG1 4.46Å; M618-V639 HydrophobicContact CE-CG1 4.17Å; M618-V639 HydrophobicContact SD-CG1 3.9Å; M618-R653 HydrophobicContact CE-CG 4.34Å; M618-Y687 HydrophobicContact CE-CD1 4.19Å; M618-Y687 HydrophobicContact SD-CD1 3.6Å; M618-Y687 HydrophobicContact SD-CE1 4.38Å; M618-Y687 HydrophobicContact SD-CG 4.02Å; M618-T688 CarbonylContact C-O 3.59Å; M618-T688 WeakPolarHBondContact CA-O 3.4Å; M618-F689 HydrophobicContact CB-CD1 3.95Å; M618-F689 HydrophobicContact CB-CE1 3.84Å; M618-F689 HydrophobicContact CG-CD1 4.07Å; M618-F689 HydrophobicContact CG-CE1 3.7Å; M618-F689 HydrophobicContact CG-CZ 4Å; M618-F689 HydrophobicContact SD-CE1 3.69Å; M618-F689 HydrophobicContact SD-CZ 3.67Å
619	K	91.8	Very high	88.1	Confident	81 Å²	81	71.9 Å²	71.9	35%	0.352	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.8	164.3	174.8	168.4	-177.5	169	0	109.3	G621 K622 S624 T688	K619-G621 WeakPolarHBondContact CE-O 3.46Å; K619-K622 WeakPolarHBondContact CE-O 3.46Å; K619-K622 PolarHBondContact NZ-O 2.87Å; K619-S624 WeakPolarHBondContact CA-O 3.44Å; K619-T688 PolarHBondContact N-O 2.91Å; K619-T688 PolarHBondContact O-N 3.3Å
620	E	85.1	Confident	88.3	Confident	57 Å²	57	69.4 Å²	69.4	27%	0.266	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.1	176.4	-175	170.5	-162.5	0	0	108.1	R653 Y687	E620-R653 IonicContact OE1-NE 2.7Å; E620-R653 IonicContact OE2-CZ 2.69Å; E620-R653 IonicContact OE2-NE 3.2Å; E620-R653 PolarHBondContact OE2-NE 3.15Å; E620-R653 IonicContact OE2-NH2 3.39Å; E620-R653 PolarHBondContact OE2-NH2 3.06Å; E620-Y687 HydrophobicContact CB-CD1 4.5Å; E620-Y687 HydrophobicContact CG-CD1 4.31Å; E620-Y687 HydrophobicContact CG-CE1 4.32Å; E620-Y687 VanDerWaalsContact OE1-CE1 3.3Å; E620-Y687 WeakPolarHBondContact OE1-CE1 3.43Å
621	G	72.5	Confident	88.4	Confident	65 Å²	65	66.9 Å²	66.9	67%	0.67	33%	0.333	S	S	*	.	S	Bend	trans	58.5	-146.4	-176.4	0	0	0	0	0	114.5	K619	K619-G621 WeakPolarHBondContact CE-O 3.46Å
622	K	63.8	Low	88.5	Confident	184 Å²	184	63.7 Å²	63.7	80%	0.8	32%	0.318	S	S	*	.	S	Bend	trans	-85.2	-46.1	-178.9	-76	-175	176.3	178.6	0	113.2	K619	K619-K622 WeakPolarHBondContact CE-O 3.46Å; K619-K622 PolarHBondContact NZ-O 2.87Å
623	D	54.6	Low	88.5	Confident	158 Å²	158	61.7 Å²	61.7	85%	0.845	31%	0.308	S	S	*	.	S	Bend	trans	-131.4	86.3	-174	-79.6	-62.7	0	0	0	113.7
624	S	69.1	Low	88.5	Confident	55 Å²	55	58.8 Å²	58.8	39%	0.385	30%	0.295	S	S	.	.				-166	148.3	120.6	52.9	0	0	0	0	109.8	K619	K619-S624 WeakPolarHBondContact CA-O 3.44Å
625	R	85.6	Confident	88.5	Confident	219 Å²	219	58.6 Å²	58.6	83%	0.826	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.4	161	-79	178	169.8	164.3	-3.8	106.7	M618	M618-R625 WeakPolarHBondContact O-CA 3.45Å
626	M	90.8	Very high	88.6	Confident	33 Å²	33	56.5 Å²	56.5	16%	0.163	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.2	179.3	60.5	179.7	89.5	0	0	110.7	R617 M618 V628 I652	R617-M626 CarbonylContact C-O 3.45Å; M618-M626 HydrophobicContact CB-CG 4.13Å; M618-M626 HydrophobicContact CE-CE 4.16Å; M618-M626 HydrophobicContact CE-CG 4.18Å; M618-M626 HydrophobicContact CE-SD 3.58Å; M618-M626 VanDerWaalsContact CE-SD 3.58Å; M618-M626 PolarHBondContact N-O 3.33Å; M618-M626 PolarHBondContact O-N 3.48Å; M626-V628 HydrophobicContact CG-CG1 3.88Å; M626-V628 HydrophobicContact SD-CG1 4.23Å; M626-I652 HydrophobicContact SD-CD1 3.93Å
627	E	93.3	Very high	88.7	Confident	122 Å²	122	56.3 Å²	56.3	57%	0.57	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	124.4	172.5	-52.4	-159	132.2	0	0	108.4	R617	R617-E627 HydrophobicContact CG-CG 4.27Å; R617-E627 IonicContact CZ-OE1 2.75Å; R617-E627 IonicContact NE-OE1 3.69Å; R617-E627 PolarHBondContact NE-OE1 3.32Å; R617-E627 IonicContact NH2-OE1 3.68Å; R617-E627 PolarHBondContact NH2-OE1 3.13Å
628	V	95.2	Very high	88.8	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.024	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	160	-175.2	-60	0	0	0	0	109.5	A615 L616 M618 M626 V639 T640 I652 F689	A615-V628 WeakPolarHBondContact CA-O 3.37Å; L616-V628 HydrophobicContact CB-CG2 4.13Å; L616-V628 PolarHBondContact N-O 2.82Å; L616-V628 WeakPolarHBondContact O-CG2 3.43Å; L616-V628 PolarHBondContact O-N 2.73Å; L616-V628 VanDerWaalsContact O-O 3.1Å; M618-V628 HydrophobicContact CB-CG1 4.02Å; M618-V628 HydrophobicContact CB-CG2 3.89Å; M618-V628 HydrophobicContact CE-CG1 4.46Å; M626-V628 HydrophobicContact CG-CG1 3.88Å; M626-V628 HydrophobicContact SD-CG1 4.23Å; V628-V639 HydrophobicContact CB-CG1 4.02Å; V628-V639 HydrophobicContact CG1-CG1 4Å; V628-V639 HydrophobicContact CG2-CG1 4.23Å; V628-T640 CarbonylContact C-O 3.52Å; V628-T640 WeakPolarHBondContact CA-O 3.49Å; V628-T640 WeakPolarHBondContact CB-O 3.38Å; V628-I652 HydrophobicContact CG1-CD1 3.91Å; V628-F689 HydrophobicContact CG2-CD1 4.4Å; V628-F689 HydrophobicContact CG2-CE1 4.15Å
629	Y	95.7	Very high	88.8	Confident	63 Å²	63	50.4 Å²	50.4	25%	0.247	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.7	170.3	-161.8	-83.2	0	0	0	108.1	E613 G614 A615 F631 T640	E613-Y629 HydrophobicContact CB-CE1 3.9Å; E613-Y629 HydrophobicContact CG-CE1 4.24Å; E613-Y629 WeakPolarHBondContact CG-OH 3.34Å; E613-Y629 VanDerWaalsContact OE2-CE1 3.29Å; E613-Y629 WeakPolarHBondContact OE2-CE1 3.44Å; E613-Y629 PolarHBondContact OE2-OH 3.05Å; E613-Y629 VanDerWaalsContact OE2-OH 3.13Å; G614-Y629 WeakPolarHBondContact O-CA 3.47Å; A615-Y629 HydrophobicContact CB-CD2 4.17Å; Y629-F631 HydrophobicContact CD1-CD2 4.21Å; Y629-F631 HydrophobicContact CD1-CE1 4.3Å; Y629-F631 AromaticContact CD1-CE2 3.58Å; Y629-F631 HydrophobicContact CD1-CE2 3.58Å; Y629-F631 AromaticContact CD1-CZ 3.64Å; Y629-F631 HydrophobicContact CD1-CZ 3.64Å; Y629-F631 AromaticContact CE1-CE1 3.94Å; Y629-F631 HydrophobicContact CE1-CE1 3.94Å; Y629-F631 HydrophobicContact CE1-CE2 4.08Å; Y629-F631 AromaticContact CE1-CZ 3.69Å; Y629-F631 HydrophobicContact CE1-CZ 3.69Å; Y629-T640 PolarHBondContact N-O 3.07Å; Y629-T640 WeakPolarHBondContact O-CA 3.25Å; Y629-T640 WeakPolarHBondContact O-CB 3.37Å; Y629-T640 PolarHBondContact O-N 2.97Å; Y629-T640 PolarHBondContact O-OG1 2.9Å
630	C	97.1	Very high	89	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	148.5	-174.2	-66.8	0	0	0	0	111.2	E613 G614 L616 L637 L638 W700	E613-C630 VanDerWaalsContact CA-O 3.25Å; E613-C630 WeakPolarHBondContact CA-O 3.38Å; G614-C630 PolarHBondContact N-O 2.75Å; G614-C630 VanDerWaalsContact N-O 3.08Å; G614-C630 PolarHBondContact O-N 3.05Å; L616-C630 HydrophobicContact CD1-CB 4.33Å; C630-L637 HydrophobicContact CB-CD1 4.23Å; C630-L638 VanDerWaalsContact CA-O 3.28Å; C630-L638 WeakPolarHBondContact CA-O 3.41Å; C630-W700 HydrophobicContact CB-CH2 3.53Å; C630-W700 HydrophobicContact CB-CZ2 4.18Å; C630-W700 HydrophobicContact CB-CZ3 3.97Å
631	F	97.4	Very high	89.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	112.9	173.6	-57.7	-102.5	0	0	0	108.9	I566 L610 E613 Y629 F633 L637 L638 T640 V649	I566-F631 HydrophobicContact CG2-CD1 3.83Å; I566-F631 HydrophobicContact CG2-CE1 3.78Å; L610-F631 HydrophobicContact CD1-CB 3.92Å; L610-F631 HydrophobicContact CD1-CD1 4.1Å; E613-F631 HydrophobicContact CB-CD1 3.91Å; E613-F631 HydrophobicContact CB-CE1 4.35Å; E613-F631 HydrophobicContact CB-CG 4.49Å; E613-F631 WeakPolarHBondContact OE2-CE1 3.18Å; Y629-F631 HydrophobicContact CD1-CD2 4.21Å; Y629-F631 HydrophobicContact CD1-CE1 4.3Å; Y629-F631 AromaticContact CD1-CE2 3.58Å; Y629-F631 HydrophobicContact CD1-CE2 3.58Å; Y629-F631 AromaticContact CD1-CZ 3.64Å; Y629-F631 HydrophobicContact CD1-CZ 3.64Å; Y629-F631 AromaticContact CE1-CE1 3.94Å; Y629-F631 HydrophobicContact CE1-CE1 3.94Å; Y629-F631 HydrophobicContact CE1-CE2 4.08Å; Y629-F631 AromaticContact CE1-CZ 3.69Å; Y629-F631 HydrophobicContact CE1-CZ 3.69Å; F631-F633 HydrophobicContact CB-CD2 4.17Å; F631-F633 HydrophobicContact CB-CE2 3.41Å; F631-F633 VanDerWaalsContact CB-CE2 3.41Å; F631-F633 HydrophobicContact CB-CZ 3.83Å; F631-F633 HydrophobicContact CD1-CZ 4.46Å; F631-F633 HydrophobicContact CG-CE2 4.34Å; F631-F633 HydrophobicContact CG-CZ 4.42Å; F631-L637 WeakPolarHBondContact O-CA 3.17Å; F631-L638 HydrophobicContact CB-CB 4.34Å; F631-L638 HydrophobicContact CD2-CB 4.43Å; F631-L638 PolarHBondContact N-O 3.32Å; F631-L638 PolarHBondContact O-N 3.24Å; F631-T640 HydrophobicContact CD2-CG2 3.83Å; F631-T640 HydrophobicContact CE2-CG2 3.78Å; F631-V649 HydrophobicContact CE2-CG2 3.85Å; F631-V649 HydrophobicContact CZ-CG2 3.99Å
632	L	98	Very high	90.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	112.9	174.5	172.9	62.6	0	0	0	109.3	H611 L612 L637 I658 W700 A703 I704 V707	H611-L632 HydrophobicContact CB-CD2 4.36Å; H611-L632 HydrophobicContact CB-CG 4.28Å; H611-L632 PolarHBondContact N-O 2.98Å; L612-L632 HydrophobicContact CB-CB 4.24Å; L612-L632 HydrophobicContact CB-CD2 4.26Å; L612-L632 PolarHBondContact N-O 3.07Å; L612-L632 PolarHBondContact O-N 2.82Å; L632-L637 HydrophobicContact CB-CD1 4.17Å; L632-I658 HydrophobicContact CD1-CD1 3.47Å; L632-I658 VanDerWaalsContact CD1-CD1 3.47Å; L632-I658 HydrophobicContact CD1-CG1 4.28Å; L632-W700 HydrophobicContact CB-CZ3 3.91Å; L632-A703 HydrophobicContact CD2-CB 3.58Å; L632-I704 HydrophobicContact CD1-CG1 4.13Å; L632-I704 HydrophobicContact CD2-CG1 3.93Å; L632-V707 HydrophobicContact CD1-CB 4.46Å; L632-V707 HydrophobicContact CD1-CG1 4.4Å; L632-V707 HydrophobicContact CD1-CG2 4.33Å; L632-V707 HydrophobicContact CD2-CG2 4.09Å; L632-V707 HydrophobicContact CG-CG2 4.14Å
633	F	97.3	Very high	91.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	170.7	172	-56.3	-91.6	0	0	0	111.5	L563 I566 L595 R608 Q609 L610 F631 D635 L636 L638 V707	L563-F633 HydrophobicContact CD1-CD1 3.98Å; L563-F633 HydrophobicContact CD1-CE1 3.69Å; I566-F633 HydrophobicContact CD1-CE1 4.2Å; I566-F633 HydrophobicContact CG2-CE1 4.31Å; I566-F633 HydrophobicContact CG2-CZ 3.86Å; L595-F633 HydrophobicContact CD1-CD1 4.49Å; L595-F633 HydrophobicContact CD1-CD2 4.27Å; L595-F633 HydrophobicContact CD1-CE1 4.1Å; L595-F633 HydrophobicContact CD1-CE2 3.83Å; L595-F633 HydrophobicContact CD1-CZ 3.74Å; L595-F633 HydrophobicContact CD2-CE1 4.11Å; L595-F633 HydrophobicContact CD2-CE2 4.41Å; L595-F633 HydrophobicContact CD2-CZ 3.66Å; L595-F633 HydrophobicContact CG-CZ 4.3Å; R608-F633 HydrophobicContact CG-CB 3.67Å; R608-F633 HydrophobicContact CG-CD1 3.9Å; R608-F633 HydrophobicContact CG-CG 4.01Å; Q609-F633 CarbonylContact O-C 3.6Å; Q609-F633 WeakPolarHBondContact O-CA 3.36Å; Q609-F633 WeakPolarHBondContact O-CB 3.27Å; L610-F633 HydrophobicContact CB-CD1 4.07Å; L610-F633 HydrophobicContact CB-CE1 4.03Å; L610-F633 HydrophobicContact CD1-CD1 4.05Å; L610-F633 HydrophobicContact CD1-CE1 3.79Å; L610-F633 HydrophobicContact CD1-CE2 4.43Å; L610-F633 HydrophobicContact CD1-CG 4.47Å; L610-F633 HydrophobicContact CD1-CZ 4Å; F631-F633 HydrophobicContact CB-CD2 4.17Å; F631-F633 HydrophobicContact CB-CE2 3.41Å; F631-F633 VanDerWaalsContact CB-CE2 3.41Å; F631-F633 HydrophobicContact CB-CZ 3.83Å; F631-F633 HydrophobicContact CD1-CZ 4.46Å; F631-F633 HydrophobicContact CG-CE2 4.34Å; F631-F633 HydrophobicContact CG-CZ 4.42Å; F633-D635 PolarHBondContact O-N 2.61Å; F633-D635 VanDerWaalsContact O-N 3.16Å; F633-L636 WeakPolarHBondContact CA-O 3.34Å; F633-L636 HydrophobicContact CB-CG 4.46Å; F633-L636 WeakPolarHBondContact CB-O 3.29Å; F633-L636 HydrophobicContact CD2-CD1 3.62Å; F633-L636 HydrophobicContact CD2-CG 4.35Å; F633-L636 HydrophobicContact CE2-CD1 4.19Å; F633-L636 HydrophobicContact CG-CD1 4.44Å; F633-L636 PolarHBondContact N-O 3.36Å; F633-L638 HydrophobicContact CE2-CD1 3.88Å; F633-L638 HydrophobicContact CE2-CG 4.07Å; F633-V707 WeakPolarHBondContact O-CG1 3.48Å
634	T	95.6	Very high	92.3	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.025	21%	0.208	C	C	.	.	S	Bend	trans	-46.9	-35.5	176.4	36.7	0	0	0	0	115.5	M599 R608 Q609 H611 V707	M599-T634 VanDerWaalsContact SD-CB 3.56Å; M599-T634 PolarHBondContact SD-OG1 3.26Å; R608-T634 WeakPolarHBondContact CA-OG1 3.5Å; Q609-T634 HydrophobicContact CB-CG2 3.87Å; Q609-T634 HydrophobicContact CG-CG2 4.39Å; Q609-T634 PolarHBondContact N-OG1 2.95Å; Q609-T634 PolarHBondContact O-N 3.13Å; H611-T634 WeakPolarHBondContact NE2-CG2 3.44Å; T634-V707 WeakPolarHBondContact O-CG1 3.5Å
635	D	95.8	Very high	92.2	Very high	5 Å²	5	54 Å²	54	3%	0.027	24%	0.236	C	C	.	.	S	Bend	trans	-125.1	-17.7	-175.8	68.9	-27.4	0	0	0	115	M599 R608 F633 I658 L711	M599-D635 HydrophobicContact CB-CB 4.45Å; M599-D635 HydrophobicContact CG-CB 4.19Å; M599-D635 HydrophobicContact SD-CB 3.86Å; R608-D635 IonicContact CZ-OD1 3.46Å; R608-D635 IonicContact CZ-OD2 3.3Å; R608-D635 IonicContact NE-OD1 2.66Å; R608-D635 PolarHBondContact NE-OD1 3.18Å; R608-D635 IonicContact NE-OD2 3.5Å; R608-D635 IonicContact NH2-OD1 3.78Å; R608-D635 IonicContact NH2-OD2 2.85Å; R608-D635 PolarHBondContact NH2-OD2 3.06Å; F633-D635 PolarHBondContact O-N 2.61Å; F633-D635 VanDerWaalsContact O-N 3.16Å; D635-I658 VanDerWaalsContact C-CG1 3.47Å; D635-I658 WeakPolarHBondContact O-CG1 3.18Å; D635-I658 PolarHBondContact O-N 3.03Å; D635-L711 HydrophobicContact CB-CD1 3.97Å; D635-L711 HydrophobicContact CB-CD2 4.46Å
636	L	96.1	Very high	91.6	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	150.2	-176.7	65.6	90.9	0	0	0	113.9	F593 L595 F633 L638 L656	F593-L636 HydrophobicContact CE2-CD2 4.29Å; F593-L636 HydrophobicContact CZ-CD1 4.31Å; F593-L636 HydrophobicContact CZ-CD2 4.15Å; L595-L636 HydrophobicContact CD1-CD1 4.48Å; F633-L636 WeakPolarHBondContact CA-O 3.34Å; F633-L636 HydrophobicContact CB-CG 4.46Å; F633-L636 WeakPolarHBondContact CB-O 3.29Å; F633-L636 HydrophobicContact CD2-CD1 3.62Å; F633-L636 HydrophobicContact CD2-CG 4.35Å; F633-L636 HydrophobicContact CE2-CD1 4.19Å; F633-L636 HydrophobicContact CG-CD1 4.44Å; F633-L636 PolarHBondContact N-O 3.36Å; L636-L638 HydrophobicContact CD1-CD1 4.4Å; L636-L638 HydrophobicContact CD1-CD2 3.64Å; L636-L638 HydrophobicContact CD1-CG 3.61Å; L636-L656 CarbonylContact C-O 3.59Å; L636-L656 WeakPolarHBondContact CA-O 3.32Å
637	L	97.6	Very high	91.2	Very high	2 Å²	2	55 Å²	55	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.4	168.6	172.7	67.9	0	0	0	109.6	C630 F631 L632 L656 I658 I661 L674 W700	C630-L637 HydrophobicContact CB-CD1 4.23Å; F631-L637 WeakPolarHBondContact O-CA 3.17Å; L632-L637 HydrophobicContact CB-CD1 4.17Å; L637-L656 HydrophobicContact CB-CB 4.28Å; L637-L656 HydrophobicContact CD2-CD1 4.33Å; L637-L656 PolarHBondContact N-O 2.87Å; L637-L656 PolarHBondContact O-N 3.24Å; L637-I658 HydrophobicContact CB-CD1 3.75Å; L637-I661 HydrophobicContact CB-CD1 4.09Å; L637-I661 HydrophobicContact CD2-CD1 4.04Å; L637-L674 HydrophobicContact CD2-CD1 3.31Å; L637-W700 HydrophobicContact CD1-CZ3 4.08Å
638	L	97.1	Very high	91.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133.8	170.1	-61.9	-177.4	0	0	0	110.8	I570 F593 L595 C630 F631 F633 L636 T640 I651 P655	I570-L638 HydrophobicContact CD1-CD1 3.77Å; F593-L638 HydrophobicContact CE1-CD1 4Å; F593-L638 HydrophobicContact CE1-CD2 4.06Å; F593-L638 HydrophobicContact CZ-CD1 4.38Å; F593-L638 HydrophobicContact CZ-CD2 3.9Å; L595-L638 HydrophobicContact CD1-CD1 4.43Å; C630-L638 VanDerWaalsContact CA-O 3.28Å; C630-L638 WeakPolarHBondContact CA-O 3.41Å; F631-L638 HydrophobicContact CB-CB 4.34Å; F631-L638 HydrophobicContact CD2-CB 4.43Å; F631-L638 PolarHBondContact N-O 3.32Å; F631-L638 PolarHBondContact O-N 3.24Å; F633-L638 HydrophobicContact CE2-CD1 3.88Å; F633-L638 HydrophobicContact CE2-CG 4.07Å; L636-L638 HydrophobicContact CD1-CD1 4.4Å; L636-L638 HydrophobicContact CD1-CD2 3.64Å; L636-L638 HydrophobicContact CD1-CG 3.61Å; L638-T640 HydrophobicContact CB-CG2 4.03Å; L638-I651 HydrophobicContact CD1-CD1 4.04Å; L638-I651 HydrophobicContact CD1-CG1 4.29Å; L638-I651 HydrophobicContact CD2-CD1 4.11Å; L638-I651 HydrophobicContact CD2-CG1 4.46Å; L638-P655 HydrophobicContact CD2-CB 3.9Å; L638-P655 HydrophobicContact CD2-CG 4.18Å
639	V	96.3	Very high	91	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.1	166.7	-175.9	0	0	0	0	108.2	M618 V628 I652 R653 L656 F689	M618-V639 HydrophobicContact CE-CG1 4.17Å; M618-V639 HydrophobicContact SD-CG1 3.9Å; V628-V639 HydrophobicContact CB-CG1 4.02Å; V628-V639 HydrophobicContact CG1-CG1 4Å; V628-V639 HydrophobicContact CG2-CG1 4.23Å; V639-I652 HydrophobicContact CG1-CD1 4.32Å; V639-I652 HydrophobicContact CG1-CG1 4.21Å; V639-I652 WeakPolarHBondContact O-CG1 3.21Å; V639-I652 PolarHBondContact O-N 3.25Å; V639-R653 HydrophobicContact CB-CB 4.28Å; V639-R653 HydrophobicContact CB-CG 4.45Å; V639-L656 HydrophobicContact CG2-CD1 4.33Å; V639-F689 HydrophobicContact CG2-CE1 4.48Å; V639-F689 HydrophobicContact CG2-CZ 4.1Å
640	T	95.6	Very high	90.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	167	-172.4	79.8	0	0	0	0	112.2	V628 Y629 F631 L638 V649 K650 I651	V628-T640 CarbonylContact C-O 3.52Å; V628-T640 WeakPolarHBondContact CA-O 3.49Å; V628-T640 WeakPolarHBondContact CB-O 3.38Å; Y629-T640 PolarHBondContact N-O 3.07Å; Y629-T640 WeakPolarHBondContact O-CA 3.25Å; Y629-T640 WeakPolarHBondContact O-CB 3.37Å; Y629-T640 PolarHBondContact O-N 2.97Å; Y629-T640 PolarHBondContact O-OG1 2.9Å; F631-T640 HydrophobicContact CD2-CG2 3.83Å; F631-T640 HydrophobicContact CE2-CG2 3.78Å; L638-T640 HydrophobicContact CB-CG2 4.03Å; T640-V649 HydrophobicContact CG2-CG2 4.23Å; T640-V649 WeakPolarHBondContact OG1-CB 3.4Å; T640-K650 CarbonylContact C-O 3.59Å; T640-K650 WeakPolarHBondContact CA-O 3.28Å; T640-K650 VanDerWaalsContact CB-O 3.24Å; T640-K650 WeakPolarHBondContact CB-O 3.39Å; T640-I651 HydrophobicContact CG2-CG1 4.08Å
641	K	93	Very high	90.7	Very high	99 Å²	99	52.5 Å²	52.5	43%	0.43	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.9	176.5	-168.1	172.9	-173.9	171.9	0	109.7	V649 K650 I652	K641-V649 WeakPolarHBondContact O-CA 3.42Å; K641-K650 HydrophobicContact CB-CG 4.48Å; K641-K650 PolarHBondContact N-O 3.22Å; K641-K650 PolarHBondContact O-N 3.1Å; K641-I652 HydrophobicContact CB-CD1 4.29Å; K641-I652 HydrophobicContact CB-CG2 3.65Å; K641-I652 HydrophobicContact CD-CG2 4.38Å
642	P	88.9	Confident	90.5	Very high	85 Å²	85	53.1 Å²	53.1	55%	0.552	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	138.4	178.5	25.8	-34.2	0	0	0	111.8
643	V	85.8	Confident	90.3	Very high	37 Å²	37	55.6 Å²	55.6	22%	0.224	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-83.7	131.6	175.7	-178.4	0	0	0	0	108.8	D571 R645 V646 K648 K650	D571-V643 HydrophobicContact CB-CG2 4.29Å; V643-R645 PolarHBondContact O-N 3.12Å; V643-V646 VanDerWaalsContact O-O 3.09Å; V643-K648 PolarHBondContact N-O 3.28Å; V643-K650 HydrophobicContact CG2-CB 4.25Å; V643-K650 HydrophobicContact CG2-CG 4.22Å
644	K	77.2	Confident	90	Very high	195 Å²	195	59.9 Å²	59.9	85%	0.848	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	131.3	-179.8	-67.4	-178	179.1	179.2	0	110.1
645	R	66.3	Low	90	Very high	258 Å²	258	61 Å²	61	97%	0.974	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	6	177.8	-49.6	173.6	175.3	167.6	-2.7	117.1	V643	V643-R645 PolarHBondContact O-N 3.12Å
646	V	73.1	Confident	90	Very high	83 Å²	83	60.8 Å²	60.8	50%	0.503	28%	0.283	S	S	.	.	S	Bend	trans	-139.4	148.2	174.4	-162	0	0	0	0	108.9	V643 K648	V643-V646 VanDerWaalsContact O-O 3.09Å; V646-K648 HydrophobicContact CB-CB 4.35Å; V646-K648 HydrophobicContact CG1-CB 4.21Å; V646-K648 HydrophobicContact CG1-CD 4.33Å; V646-K648 HydrophobicContact CG1-CG 3.86Å; V646-K648 PolarHBondContact O-N 3.5Å
647	E	82.8	Confident	89.9	Confident	192 Å²	192	62.1 Å²	62.1	90%	0.897	29%	0.29	S	S	*	.	S	Bend	trans	-75.9	47.2	172	-62.6	-167.2	150.3	0	0	112.2
648	K	90.6	Very high	89.8	Confident	65 Å²	65	62 Å²	62	28%	0.283	29%	0.29	S	S	.	.			trans	-121.8	159.9	179.5	-75.7	-163.1	-179.6	-165.2	0	111.9	A568 R569 D571 V643 V646	A568-K648 WeakPolarHBondContact O-CE 3.14Å; R569-K648 CarbonylContact O-C 3.29Å; R569-K648 WeakPolarHBondContact O-CA 3.26Å; R569-K648 WeakPolarHBondContact O-CB 3.29Å; D571-K648 HydrophobicContact CB-CB 4.15Å; D571-K648 HydrophobicContact CB-CD 3.64Å; D571-K648 WeakPolarHBondContact OD1-CD 3.48Å; D571-K648 WeakPolarHBondContact OD1-CE 3.32Å; D571-K648 IonicContact OD1-NZ 2.78Å; D571-K648 PolarHBondContact OD1-NZ 3.09Å; V643-K648 PolarHBondContact N-O 3.28Å; V646-K648 HydrophobicContact CB-CB 4.35Å; V646-K648 HydrophobicContact CG1-CB 4.21Å; V646-K648 HydrophobicContact CG1-CD 4.33Å; V646-K648 HydrophobicContact CG1-CG 3.86Å; V646-K648 PolarHBondContact O-N 3.5Å
649	V	93.3	Very high	89.7	Confident	11 Å²	11	65.2 Å²	65.2	7%	0.067	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	153.3	175.5	-64.1	0	0	0	0	110.5	R569 I570 D571 F631 T640 K641	R569-V649 WeakPolarHBondContact O-CG2 3.45Å; R569-V649 PolarHBondContact O-N 3.31Å; I570-V649 CarbonylContact C-O 3.54Å; I570-V649 WeakPolarHBondContact CA-O 3.31Å; I570-V649 HydrophobicContact CG1-CG2 4Å; D571-V649 PolarHBondContact N-O 3.12Å; F631-V649 HydrophobicContact CE2-CG2 3.85Å; F631-V649 HydrophobicContact CZ-CG2 3.99Å; T640-V649 HydrophobicContact CG2-CG2 4.23Å; T640-V649 WeakPolarHBondContact OG1-CB 3.4Å; K641-V649 WeakPolarHBondContact O-CA 3.42Å
650	K	92.7	Very high	89.7	Confident	59 Å²	59	66 Å²	66	26%	0.257	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	140.8	167.1	58.2	169.8	177.3	178.8	0	111.5	S572 E574 T640 K641 V643 I652	S572-K650 WeakPolarHBondContact O-CA 3.41Å; S572-K650 WeakPolarHBondContact OG-CB 3.46Å; E574-K650 HydrophobicContact CB-CD 4.49Å; E574-K650 VanDerWaalsContact CD-CD 3.44Å; E574-K650 VanDerWaalsContact CD-NZ 3.33Å; E574-K650 HydrophobicContact CG-CD 4.4Å; E574-K650 WeakPolarHBondContact OE1-CD 3.47Å; E574-K650 IonicContact OE1-NZ 2.57Å; E574-K650 PolarHBondContact OE1-NZ 2.91Å; E574-K650 WeakPolarHBondContact OE2-CD 3.41Å; E574-K650 IonicContact OE2-NZ 3.19Å; E574-K650 PolarHBondContact OE2-NZ 2.99Å; T640-K650 CarbonylContact C-O 3.59Å; T640-K650 WeakPolarHBondContact CA-O 3.28Å; T640-K650 VanDerWaalsContact CB-O 3.24Å; T640-K650 WeakPolarHBondContact CB-O 3.39Å; K641-K650 HydrophobicContact CB-CG 4.48Å; K641-K650 PolarHBondContact N-O 3.22Å; K641-K650 PolarHBondContact O-N 3.1Å; V643-K650 HydrophobicContact CG2-CB 4.25Å; V643-K650 HydrophobicContact CG2-CG 4.22Å; K650-I652 HydrophobicContact CG-CG2 4.26Å; K650-I652 PolarHBondContact O-N 2.94Å
651	I	94.9	Very high	89.7	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	123.4	178.3	-62.9	165.7	0	0	0	108.1	I570 S572 Y573 E574 F593 L638 T640 R653	I570-I651 HydrophobicContact CD1-CD1 4.42Å; I570-I651 HydrophobicContact CG2-CD1 3.91Å; I570-I651 HydrophobicContact CG2-CG1 4.07Å; S572-I651 PolarHBondContact O-N 2.69Å; Y573-I651 HydrophobicContact CD2-CB 3.87Å; Y573-I651 HydrophobicContact CD2-CD1 4.06Å; Y573-I651 HydrophobicContact CD2-CG2 3.63Å; Y573-I651 HydrophobicContact CE2-CG2 3.77Å; E574-I651 CarbonylContact C-O 3.55Å; E574-I651 VanDerWaalsContact C-O 3.29Å; E574-I651 WeakPolarHBondContact CA-O 3.35Å; E574-I651 PolarHBondContact N-O 2.83Å; F593-I651 HydrophobicContact CD1-CD1 3.35Å; F593-I651 HydrophobicContact CE1-CD1 3.77Å; F593-I651 HydrophobicContact CG-CD1 4.09Å; L638-I651 HydrophobicContact CD1-CD1 4.04Å; L638-I651 HydrophobicContact CD1-CG1 4.29Å; L638-I651 HydrophobicContact CD2-CD1 4.11Å; L638-I651 HydrophobicContact CD2-CG1 4.46Å; T640-I651 HydrophobicContact CG2-CG1 4.08Å; I651-R653 WeakPolarHBondContact CG2-O 3.28Å
652	I	93	Very high	89.9	Confident	14 Å²	14	64.1 Å²	64.1	7%	0.072	31%	0.305	C	S	.	.			trans	-112.4	-4.6	-174.2	59.9	157.4	0	0	0	114.2	M626 V628 V639 K641 K650	M626-I652 HydrophobicContact SD-CD1 3.93Å; V628-I652 HydrophobicContact CG1-CD1 3.91Å; V639-I652 HydrophobicContact CG1-CD1 4.32Å; V639-I652 HydrophobicContact CG1-CG1 4.21Å; V639-I652 WeakPolarHBondContact O-CG1 3.21Å; V639-I652 PolarHBondContact O-N 3.25Å; K641-I652 HydrophobicContact CB-CD1 4.29Å; K641-I652 HydrophobicContact CB-CG2 3.65Å; K641-I652 HydrophobicContact CD-CG2 4.38Å; K650-I652 HydrophobicContact CG-CG2 4.26Å; K650-I652 PolarHBondContact O-N 2.94Å
653	R	92.8	Very high	90.2	Very high	52 Å²	52	61.4 Å²	61.4	20%	0.196	29%	0.288	C	S	.	.	S	Bend	trans	-139.3	155.9	171.7	-63.3	-65.7	176.7	-105.3	12.3	107.9	M618 E620 V639 I651 Y687	M618-R653 HydrophobicContact CE-CG 4.34Å; E620-R653 IonicContact OE1-NE 2.7Å; E620-R653 IonicContact OE2-CZ 2.69Å; E620-R653 IonicContact OE2-NE 3.2Å; E620-R653 PolarHBondContact OE2-NE 3.15Å; E620-R653 IonicContact OE2-NH2 3.39Å; E620-R653 PolarHBondContact OE2-NH2 3.06Å; V639-R653 HydrophobicContact CB-CB 4.28Å; V639-R653 HydrophobicContact CB-CG 4.45Å; I651-R653 WeakPolarHBondContact CG2-O 3.28Å; R653-Y687 HydrophobicContact CG-CE1 4.23Å
654	Q	92.3	Very high	90.6	Very high	90 Å²	90	65.9 Å²	65.9	42%	0.421	30%	0.304	S	S	.	.			trans	-55.6	152.1	178.7	62.8	174.3	94	0	0	111.5	L656	Q654-L656 HydrophobicContact CG-CD2 4.12Å; Q654-L656 PolarHBondContact O-N 2.8Å; Q654-L656 VanDerWaalsContact O-N 3.16Å
655	P	94.4	Very high	91.5	Very high	26 Å²	26	61.7 Å²	61.7	17%	0.169	29%	0.287	C	S	.	.			trans	-62.1	120.8	176.6	-17.7	32.7	0	0	0	109.1	Y573 F593 L638 L657	Y573-P655 HydrophobicContact CE2-CG 4.33Å; F593-P655 HydrophobicContact CD2-CB 4.48Å; F593-P655 HydrophobicContact CD2-CG 3.53Å; F593-P655 HydrophobicContact CE2-CB 3.98Å; F593-P655 HydrophobicContact CE2-CG 3.51Å; F593-P655 HydrophobicContact CG-CG 4.37Å; F593-P655 HydrophobicContact CZ-CG 4.32Å; L638-P655 HydrophobicContact CD2-CB 3.9Å; L638-P655 HydrophobicContact CD2-CG 4.18Å; P655-L657 PolarHBondContact O-N 2.8Å
656	L	95.4	Very high	92.8	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	102.8	-175	-56.6	178.2	0	0	0	108.6	L636 L637 V639 Q654 I658 I661 Y676 Y687	L636-L656 CarbonylContact C-O 3.59Å; L636-L656 WeakPolarHBondContact CA-O 3.32Å; L637-L656 HydrophobicContact CB-CB 4.28Å; L637-L656 HydrophobicContact CD2-CD1 4.33Å; L637-L656 PolarHBondContact N-O 2.87Å; L637-L656 PolarHBondContact O-N 3.24Å; V639-L656 HydrophobicContact CG2-CD1 4.33Å; Q654-L656 HydrophobicContact CG-CD2 4.12Å; Q654-L656 PolarHBondContact O-N 2.8Å; Q654-L656 VanDerWaalsContact O-N 3.16Å; L656-I658 PolarHBondContact O-N 2.77Å; L656-I661 HydrophobicContact CB-CD1 3.77Å; L656-I661 HydrophobicContact CB-CG1 4.24Å; L656-Y676 HydrophobicContact CB-CD2 4.17Å; L656-Y676 HydrophobicContact CB-CE2 4.21Å; L656-Y676 HydrophobicContact CD2-CD1 4.04Å; L656-Y676 HydrophobicContact CD2-CD2 3.9Å; L656-Y676 HydrophobicContact CD2-CE1 4.39Å; L656-Y676 HydrophobicContact CD2-CE2 4.24Å; L656-Y676 HydrophobicContact CD2-CG 3.8Å; L656-Y687 HydrophobicContact CD1-CD2 4.02Å; L656-Y687 HydrophobicContact CD1-CE2 3.78Å; L656-Y687 HydrophobicContact CD2-CE2 4.03Å
657	L	95.4	Very high	93.6	Very high	34 Å²	34	58.6 Å²	58.6	18%	0.178	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	123.6	178.3	-66.2	172.4	0	0	0	110	P655 H659 N660	P655-L657 PolarHBondContact O-N 2.8Å; L657-H659 VanDerWaalsContact C-N 3.26Å; L657-H659 PolarHBondContact O-N 2.86Å; L657-N660 PolarHBondContact O-N 2.91Å
658	I	95.6	Very high	94	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-62	-32.9	-167	-67.2	-61.4	0	0	0	112.6	L632 D635 L637 L656 N660 I661 V707 Q708 L711	L632-I658 HydrophobicContact CD1-CD1 3.47Å; L632-I658 VanDerWaalsContact CD1-CD1 3.47Å; L632-I658 HydrophobicContact CD1-CG1 4.28Å; D635-I658 VanDerWaalsContact C-CG1 3.47Å; D635-I658 WeakPolarHBondContact O-CG1 3.18Å; D635-I658 PolarHBondContact O-N 3.03Å; L637-I658 HydrophobicContact CB-CD1 3.75Å; L656-I658 PolarHBondContact O-N 2.77Å; I658-N660 PolarHBondContact O-N 2.99Å; I658-I661 HydrophobicContact CD1-CD1 3.82Å; I658-I661 PolarHBondContact O-N 2.74Å; I658-V707 HydrophobicContact CG1-CG1 4.21Å; I658-V707 HydrophobicContact CG2-CG1 3.94Å; I658-Q708 HydrophobicContact CG2-CB 4.31Å; I658-Q708 HydrophobicContact CG2-CG 3.28Å; I658-Q708 PolarHBondContact O-NE2 2.58Å; I658-L711 HydrophobicContact CB-CD2 4.31Å
659	H	93.6	Very high	94	Very high	68 Å²	68	56 Å²	56	32%	0.315	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-68.8	-9.5	176.3	67.3	-110.3	0	0	0	114.5	L657 L711 R715	L657-H659 VanDerWaalsContact C-N 3.26Å; L657-H659 PolarHBondContact O-N 2.86Å; H659-L711 HydrophobicContact CB-CD2 4.3Å; H659-R715 PolarHBondContact ND1-NH1 3.31Å
660	N	95.9	Very high	93.9	Very high	16 Å²	16	55.5 Å²	55.5	9%	0.086	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-110.6	6.4	176.6	-77.1	-28.1	0	0	0	113	L657 I658 Y676 L677 K681	L657-N660 PolarHBondContact O-N 2.91Å; I658-N660 PolarHBondContact O-N 2.99Å; N660-Y676 HydrophobicContact CB-CD2 4.14Å; N660-Y676 HydrophobicContact CB-CE2 3.61Å; N660-L677 WeakPolarHBondContact CB-O 3.21Å; N660-L677 PolarHBondContact O-N 2.86Å; N660-K681 PolarHBondContact OD1-NZ 2.59Å
661	I	96.7	Very high	94	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.036	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.8	175.4	-60.5	-179.9	0	0	0	110.5	L637 L656 I658 L674 I675 Y676 Q708	L637-I661 HydrophobicContact CB-CD1 4.09Å; L637-I661 HydrophobicContact CD2-CD1 4.04Å; L656-I661 HydrophobicContact CB-CD1 3.77Å; L656-I661 HydrophobicContact CB-CG1 4.24Å; I658-I661 HydrophobicContact CD1-CD1 3.82Å; I658-I661 PolarHBondContact O-N 2.74Å; I661-L674 HydrophobicContact CG2-CB 4.01Å; I661-L674 HydrophobicContact CG2-CD1 4.34Å; I661-L674 HydrophobicContact CG2-CD2 3.93Å; I661-L674 HydrophobicContact CG2-CG 4.31Å; I661-I675 WeakPolarHBondContact CA-O 3.49Å; I661-Y676 HydrophobicContact CG1-CD2 4.07Å; I661-Q708 PolarHBondContact O-NE2 3.4Å
662	V	96.6	Very high	94.1	Very high	53 Å²	53	53.1 Å²	53.1	32%	0.321	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	110.4	163.1	179.7	0	0	0	0	108.6	K664 I675 L677	V662-K664 HydrophobicContact CG1-CG 4.44Å; V662-I675 HydrophobicContact CB-CB 4.34Å; V662-I675 PolarHBondContact N-O 2.83Å; V662-I675 PolarHBondContact O-N 2.67Å; V662-L677 HydrophobicContact CG2-CD1 3.86Å; V662-L677 HydrophobicContact CG2-CG 4.28Å
663	C	96.8	Very high	94.2	Very high	28 Å²	28	53.5 Å²	53.5	19%	0.189	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.6	177.8	-175.1	0	0	0	0	111.2	T673 L674 I704	C663-T673 WeakPolarHBondContact CA-O 3.28Å; C663-L674 HydrophobicContact CB-CD2 3.59Å; C663-L674 WeakPolarHBondContact SG-CD2 3.32Å; C663-I704 HydrophobicContact CB-CG2 4.14Å
664	K	94.2	Very high	94.4	Very high	130 Å²	130	51.1 Å²	51.1	57%	0.565	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142	136.5	174.5	-63.7	-172.3	178.3	-177.7	0	111.6	V662 F672 T673	V662-K664 HydrophobicContact CG1-CG 4.44Å; K664-F672 CarbonylContact O-C 3.56Å; K664-F672 VanDerWaalsContact O-CA 3.31Å; K664-F672 WeakPolarHBondContact O-CA 3.29Å; K664-F672 WeakPolarHBondContact O-CB 3.19Å; K664-T673 PolarHBondContact N-O 3.02Å; K664-T673 PolarHBondContact O-N 3.4Å
665	E	94.6	Very high	94.6	Very high	107 Å²	107	49.2 Å²	49.2	50%	0.5	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	147.4	169.9	-159.4	168.1	-156.9	0	0	110.6	R698 I701	E665-R698 VanDerWaalsContact OE1-CG 3.29Å; E665-R698 WeakPolarHBondContact OE1-CG 3.47Å; E665-I701 HydrophobicContact CB-CD1 3.69Å; E665-I701 HydrophobicContact CG-CD1 3.72Å
666	L	93.4	Very high	94.7	Very high	66 Å²	66	48.9 Å²	48.9	35%	0.346	25%	0.248	S	C	.	.			trans	-105.5	168.8	172.4	-65.2	-172.9	0	0	0	111.5	D668 S671 T673 T688	L666-D668 PolarHBondContact O-N 3.03Å; L666-S671 PolarHBondContact N-O 3.3Å; L666-T673 WeakPolarHBondContact CD1-OG1 3.26Å; L666-T688 HydrophobicContact CD1-CG2 3.54Å
667	K	91.2	Very high	94.8	Very high	211 Å²	211	50.2 Å²	50.2	92%	0.917	26%	0.255	S	S	*	.	S	Bend	trans	-65.8	-26.4	178.2	-63.6	-175.7	179.4	-177.9	0	113.5
668	D	90.9	Very high	94.7	Very high	101 Å²	101	50.6 Å²	50.6	54%	0.54	26%	0.257	S	S	.	.	S	Bend	trans	-79.6	125	-179.4	-62.9	-38.1	0	0	0	109.8	L666 G670 S671	L666-D668 PolarHBondContact O-N 3.03Å; D668-G670 PolarHBondContact O-N 2.73Å; D668-G670 VanDerWaalsContact O-N 3.17Å; D668-S671 WeakPolarHBondContact O-CB 3.19Å; D668-S671 PolarHBondContact O-N 3.49Å
669	P	90.4	Very high	94.6	Very high	100 Å²	100	57.9 Å²	57.9	65%	0.649	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	120.9	-172.6	-28.5	35.7	0	0	0	113.9	S671 Q690 A694	P669-S671 VanDerWaalsContact C-N 3.32Å; P669-Q690 PolarHBondContact O-NE2 2.84Å; P669-A694 HydrophobicContact CB-CB 3.97Å
670	G	90.4	Very high	94.6	Very high	2 Å²	2	62 Å²	62	2%	0.021	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	8.3	-178.1	0	0	0	0	0	115	D668 A691	D668-G670 PolarHBondContact O-N 2.73Å; D668-G670 VanDerWaalsContact O-N 3.17Å; G670-A691 WeakPolarHBondContact O-CB 3.36Å; G670-A691 PolarHBondContact O-N 2.86Å
671	S	95.3	Very high	94.5	Very high	8 Å²	8	67 Å²	67	6%	0.056	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	142.1	167.4	-91.2	0	0	0	0	112.4	L666 D668 P669 F689 Q690	L666-S671 PolarHBondContact N-O 3.3Å; D668-S671 WeakPolarHBondContact O-CB 3.19Å; D668-S671 PolarHBondContact O-N 3.49Å; P669-S671 VanDerWaalsContact C-N 3.32Å; S671-F689 CarbonylContact C-O 3.56Å; S671-F689 VanDerWaalsContact CA-O 3.24Å; S671-F689 WeakPolarHBondContact CA-O 3.36Å; S671-Q690 VanDerWaalsContact OG-CD 3.29Å; S671-Q690 PolarHBondContact OG-OE1 2.89Å
672	F	96.7	Very high	94.5	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.009	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155.6	174.8	62.9	-85.9	0	0	0	111.2	L616 K664 L674 T688 F689 W700 I701 I704	L616-F672 HydrophobicContact CD1-CE1 4.4Å; L616-F672 HydrophobicContact CD1-CZ 3.91Å; K664-F672 CarbonylContact O-C 3.56Å; K664-F672 VanDerWaalsContact O-CA 3.31Å; K664-F672 WeakPolarHBondContact O-CA 3.29Å; K664-F672 WeakPolarHBondContact O-CB 3.19Å; F672-L674 HydrophobicContact CD2-CD2 3.8Å; F672-L674 HydrophobicContact CD2-CG 4.15Å; F672-L674 HydrophobicContact CE2-CD1 4.32Å; F672-L674 HydrophobicContact CE2-CD2 3.9Å; F672-L674 HydrophobicContact CE2-CG 4.02Å; F672-T688 CarbonylContact O-C 3.34Å; F672-T688 WeakPolarHBondContact O-CA 3.13Å; F672-F689 HydrophobicContact CD1-CB 4.15Å; F672-F689 HydrophobicContact CD2-CB 4.27Å; F672-F689 HydrophobicContact CD2-CD2 4.21Å; F672-F689 HydrophobicContact CE1-CB 3.7Å; F672-F689 HydrophobicContact CE2-CB 3.84Å; F672-F689 AromaticContact CE2-CD2 3.68Å; F672-F689 HydrophobicContact CE2-CD2 3.68Å; F672-F689 AromaticContact CE2-CG 3.99Å; F672-F689 HydrophobicContact CE2-CG 3.99Å; F672-F689 HydrophobicContact CG-CB 4.42Å; F672-F689 HydrophobicContact CZ-CB 3.54Å; F672-F689 HydrophobicContact CZ-CD2 4.14Å; F672-F689 AromaticContact CZ-CG 3.95Å; F672-F689 HydrophobicContact CZ-CG 3.95Å; F672-F689 PolarHBondContact N-O 2.83Å; F672-F689 PolarHBondContact O-N 3.18Å; F672-W700 HydrophobicContact CE1-CB 3.73Å; F672-W700 HydrophobicContact CE1-CG 4.15Å; F672-W700 HydrophobicContact CE2-CB 4.36Å; F672-W700 HydrophobicContact CZ-CB 3.6Å; F672-W700 HydrophobicContact CZ-CD2 4.46Å; F672-W700 AromaticContact CZ-CG 3.94Å; F672-W700 HydrophobicContact CZ-CG 3.94Å; F672-I701 HydrophobicContact CB-CD1 3.95Å; F672-I701 HydrophobicContact CB-CG1 3.9Å; F672-I701 HydrophobicContact CG-CG1 4.15Å; F672-I704 HydrophobicContact CE2-CD1 4.46Å
673	T	95.9	Very high	94.5	Very high	22 Å²	22	70.7 Å²	70.7	14%	0.135	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.1	175	-62.1	0	0	0	0	110.3	C663 K664 L666 I675 Y687 T688	C663-T673 WeakPolarHBondContact CA-O 3.28Å; K664-T673 PolarHBondContact N-O 3.02Å; K664-T673 PolarHBondContact O-N 3.4Å; L666-T673 WeakPolarHBondContact CD1-OG1 3.26Å; T673-I675 HydrophobicContact CG2-CG1 4.11Å; T673-Y687 CarbonylContact C-O 3.59Å; T673-Y687 VanDerWaalsContact CA-O 3.32Å; T673-Y687 WeakPolarHBondContact CA-O 3.27Å; T673-T688 PolarHBondContact OG1-OG1 3.07Å; T673-T688 VanDerWaalsContact OG1-OG1 3.13Å
674	L	96.9	Very high	94.3	Very high	2 Å²	2	73.4 Å²	73.4	1%	0.01	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.6	165.7	-53.8	-170.9	0	0	0	108.7	L637 I661 C663 F672 A686 Y687 F689 I704	L637-L674 HydrophobicContact CD2-CD1 3.31Å; I661-L674 HydrophobicContact CG2-CB 4.01Å; I661-L674 HydrophobicContact CG2-CD1 4.34Å; I661-L674 HydrophobicContact CG2-CD2 3.93Å; I661-L674 HydrophobicContact CG2-CG 4.31Å; C663-L674 HydrophobicContact CB-CD2 3.59Å; C663-L674 WeakPolarHBondContact SG-CD2 3.32Å; F672-L674 HydrophobicContact CD2-CD2 3.8Å; F672-L674 HydrophobicContact CD2-CG 4.15Å; F672-L674 HydrophobicContact CE2-CD1 4.32Å; F672-L674 HydrophobicContact CE2-CD2 3.9Å; F672-L674 HydrophobicContact CE2-CG 4.02Å; L674-A686 WeakPolarHBondContact O-CA 3.47Å; L674-Y687 PolarHBondContact N-O 3.48Å; L674-Y687 PolarHBondContact O-N 3.23Å; L674-F689 HydrophobicContact CB-CE2 4.2Å; L674-F689 HydrophobicContact CD1-CD2 4.17Å; L674-F689 HydrophobicContact CD1-CE2 3.59Å; L674-F689 HydrophobicContact CD1-CZ 4.37Å; L674-F689 HydrophobicContact CG-CD2 3.99Å; L674-F689 HydrophobicContact CG-CE2 3.73Å; L674-I704 HydrophobicContact CD1-CD1 4.09Å; L674-I704 HydrophobicContact CD2-CD1 3.78Å
675	I	96.5	Very high	94.2	Very high	49 Å²	49	68.1 Å²	68.1	25%	0.251	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.6	169.7	-51.9	175.5	0	0	0	107	I661 V662 T673 L677 A683 A685	I661-I675 WeakPolarHBondContact CA-O 3.49Å; V662-I675 HydrophobicContact CB-CB 4.34Å; V662-I675 PolarHBondContact N-O 2.83Å; V662-I675 PolarHBondContact O-N 2.67Å; T673-I675 HydrophobicContact CG2-CG1 4.11Å; I675-L677 HydrophobicContact CG2-CD2 4.02Å; I675-A683 HydrophobicContact CG2-CB 3.52Å; I675-A685 WeakPolarHBondContact CA-O 3.5Å
676	Y	96.6	Very high	94.2	Very high	20 Å²	20	65.6 Å²	65.6	8%	0.078	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.4	174.9	-170.1	-116.7	0	0	0	110	L656 N660 I661 V684 A685	L656-Y676 HydrophobicContact CB-CD2 4.17Å; L656-Y676 HydrophobicContact CB-CE2 4.21Å; L656-Y676 HydrophobicContact CD2-CD1 4.04Å; L656-Y676 HydrophobicContact CD2-CD2 3.9Å; L656-Y676 HydrophobicContact CD2-CE1 4.39Å; L656-Y676 HydrophobicContact CD2-CE2 4.24Å; L656-Y676 HydrophobicContact CD2-CG 3.8Å; N660-Y676 HydrophobicContact CB-CD2 4.14Å; N660-Y676 HydrophobicContact CB-CE2 3.61Å; I661-Y676 HydrophobicContact CG1-CD2 4.07Å; Y676-V684 HydrophobicContact CD1-CG2 3.71Å; Y676-V684 HydrophobicContact CE1-CG2 4.38Å; Y676-V684 WeakPolarHBondContact O-CG2 3.27Å; Y676-V684 PolarHBondContact O-N 2.89Å; Y676-A685 PolarHBondContact N-O 2.83Å; Y676-A685 PolarHBondContact O-N 3.13Å
677	L	96.7	Very high	94.3	Very high	29 Å²	29	63 Å²	63	15%	0.152	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	147.6	-178.7	-54.4	-175.6	0	0	0	111.2	N660 V662 I675 K681 S682 A683	N660-L677 WeakPolarHBondContact CB-O 3.21Å; N660-L677 PolarHBondContact O-N 2.86Å; V662-L677 HydrophobicContact CG2-CD1 3.86Å; V662-L677 HydrophobicContact CG2-CG 4.28Å; I675-L677 HydrophobicContact CG2-CD2 4.02Å; L677-K681 HydrophobicContact CD1-CB 4.45Å; L677-K681 HydrophobicContact CD1-CD 4.38Å; L677-S682 WeakPolarHBondContact CA-O 3.36Å; L677-A683 HydrophobicContact CD2-CB 4.21Å
678	N	93.9	Very high	94.4	Very high	42 Å²	42	55 Å²	55	23%	0.225	31%	0.311	C	S	.	.			trans	-85.2	-176.6	166.3	66.6	5.9	0	0	0	112	F680 K681 S682 V684	N678-F680 VanDerWaalsContact C-N 3.28Å; N678-F680 PolarHBondContact O-N 3.15Å; N678-F680 WeakPolarHBondContact OD1-CA 3.17Å; N678-F680 WeakPolarHBondContact OD1-CB 3.47Å; N678-F680 PolarHBondContact OD1-N 3.37Å; N678-K681 WeakPolarHBondContact O-CA 3.18Å; N678-K681 PolarHBondContact O-N 2.94Å; N678-K681 PolarHBondContact OD1-N 2.83Å; N678-S682 PolarHBondContact N-O 3.3Å; N678-S682 WeakPolarHBondContact OD1-CB 3.43Å; N678-S682 PolarHBondContact OD1-N 3.38Å; N678-S682 PolarHBondContact OD1-O 3.04Å; N678-V684 HydrophobicContact CB-CG1 3.84Å
679	E	93.1	Very high	94.7	Very high	152 Å²	152	50.3 Å²	50.3	71%	0.71	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-39.7	175.2	65.2	-145.9	137.9	0	0	112.9	K681	E679-K681 PolarHBondContact O-N 3.49Å
680	F	94.8	Very high	94.9	Very high	155 Å²	155	48.6 Å²	48.6	68%	0.68	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	13.7	173.2	-51.1	-78	0	0	0	114	N678 S682	N678-F680 VanDerWaalsContact C-N 3.28Å; N678-F680 PolarHBondContact O-N 3.15Å; N678-F680 WeakPolarHBondContact OD1-CA 3.17Å; N678-F680 WeakPolarHBondContact OD1-CB 3.47Å; N678-F680 PolarHBondContact OD1-N 3.37Å; F680-S682 PolarHBondContact O-N 2.97Å; F680-S682 PolarHBondContact O-OG 3.06Å
681	K	93.6	Very high	95.2	Very high	122 Å²	122	48.6 Å²	48.6	53%	0.53	27%	0.269	S	S	.	.	S	Bend	trans	50	25	-177.9	-55.2	-57.9	174.1	-177.1	0	114.7	N660 L677 N678 E679	N660-K681 PolarHBondContact OD1-NZ 2.59Å; L677-K681 HydrophobicContact CD1-CB 4.45Å; L677-K681 HydrophobicContact CD1-CD 4.38Å; N678-K681 WeakPolarHBondContact O-CA 3.18Å; N678-K681 PolarHBondContact O-N 2.94Å; N678-K681 PolarHBondContact OD1-N 2.83Å; E679-K681 PolarHBondContact O-N 3.49Å
682	S	96.2	Very high	95.1	Very high	66 Å²	66	53.6 Å²	53.6	46%	0.462	30%	0.295	S	S	.	.			trans	-94.9	140.8	176.9	-63	0	0	0	0	110.1	L677 N678 F680 V684	L677-S682 WeakPolarHBondContact CA-O 3.36Å; N678-S682 PolarHBondContact N-O 3.3Å; N678-S682 WeakPolarHBondContact OD1-CB 3.43Å; N678-S682 PolarHBondContact OD1-N 3.38Å; N678-S682 PolarHBondContact OD1-O 3.04Å; F680-S682 PolarHBondContact O-N 2.97Å; F680-S682 PolarHBondContact O-OG 3.06Å; S682-V684 PolarHBondContact O-N 3.07Å
683	A	95.6	Very high	94.9	Very high	70 Å²	70	55.7 Å²	55.7	58%	0.579	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	120.2	-179.1	0	0	0	0	0	111.2	I675 L677	I675-A683 HydrophobicContact CG2-CB 3.52Å; L677-A683 HydrophobicContact CD2-CB 4.21Å
684	V	93.4	Very high	94.9	Very high	85 Å²	85	56.3 Å²	56.3	52%	0.515	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-23.2	177	-68.5	0	0	0	0	113.1	Y676 N678 S682	Y676-V684 HydrophobicContact CD1-CG2 3.71Å; Y676-V684 HydrophobicContact CE1-CG2 4.38Å; Y676-V684 WeakPolarHBondContact O-CG2 3.27Å; Y676-V684 PolarHBondContact O-N 2.89Å; N678-V684 HydrophobicContact CB-CG1 3.84Å; S682-V684 PolarHBondContact O-N 3.07Å
685	A	92.5	Very high	94.7	Very high	19 Å²	19	60.1 Å²	60.1	16%	0.157	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.5	172.3	0	0	0	0	0	111.6	I675 Y676 Y687	I675-A685 WeakPolarHBondContact CA-O 3.5Å; Y676-A685 PolarHBondContact N-O 2.83Å; Y676-A685 PolarHBondContact O-N 3.13Å; A685-Y687 HydrophobicContact CB-CD2 4.5Å; A685-Y687 HydrophobicContact CB-CE1 4.3Å; A685-Y687 HydrophobicContact CB-CE2 3.68Å; A685-Y687 WeakPolarHBondContact CB-OH 3.24Å
686	A	94.2	Very high	94.7	Very high	55 Å²	55	60.1 Å²	60.1	46%	0.455	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	109.6	175.8	0	0	0	0	0	110.2	L674	L674-A686 WeakPolarHBondContact O-CA 3.47Å
687	Y	94.6	Very high	94.6	Very high	10 Å²	10	59.2 Å²	59.2	4%	0.039	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.6	-177.2	-53.2	-69.3	0	0	0	109.6	M618 E620 R653 L656 T673 L674 A685 F689	M618-Y687 HydrophobicContact CE-CD1 4.19Å; M618-Y687 HydrophobicContact SD-CD1 3.6Å; M618-Y687 HydrophobicContact SD-CE1 4.38Å; M618-Y687 HydrophobicContact SD-CG 4.02Å; E620-Y687 HydrophobicContact CB-CD1 4.5Å; E620-Y687 HydrophobicContact CG-CD1 4.31Å; E620-Y687 HydrophobicContact CG-CE1 4.32Å; E620-Y687 VanDerWaalsContact OE1-CE1 3.3Å; E620-Y687 WeakPolarHBondContact OE1-CE1 3.43Å; R653-Y687 HydrophobicContact CG-CE1 4.23Å; L656-Y687 HydrophobicContact CD1-CD2 4.02Å; L656-Y687 HydrophobicContact CD1-CE2 3.78Å; L656-Y687 HydrophobicContact CD2-CE2 4.03Å; T673-Y687 CarbonylContact C-O 3.59Å; T673-Y687 VanDerWaalsContact CA-O 3.32Å; T673-Y687 WeakPolarHBondContact CA-O 3.27Å; L674-Y687 PolarHBondContact N-O 3.48Å; L674-Y687 PolarHBondContact O-N 3.23Å; A685-Y687 HydrophobicContact CB-CD2 4.5Å; A685-Y687 HydrophobicContact CB-CE1 4.3Å; A685-Y687 HydrophobicContact CB-CE2 3.68Å; A685-Y687 WeakPolarHBondContact CB-OH 3.24Å; Y687-F689 VanDerWaalsContact CB-CE2 3.47Å; Y687-F689 HydrophobicContact CG-CE2 4.46Å
688	T	95.3	Very high	94.6	Very high	45 Å²	45	63.8 Å²	63.8	28%	0.276	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.8	172.7	-62.2	0	0	0	0	109.6	M618 K619 L666 F672 T673	M618-T688 CarbonylContact C-O 3.59Å; M618-T688 WeakPolarHBondContact CA-O 3.4Å; K619-T688 PolarHBondContact N-O 2.91Å; K619-T688 PolarHBondContact O-N 3.3Å; L666-T688 HydrophobicContact CD1-CG2 3.54Å; F672-T688 CarbonylContact O-C 3.34Å; F672-T688 WeakPolarHBondContact O-CA 3.13Å; T673-T688 PolarHBondContact OG1-OG1 3.07Å; T673-T688 VanDerWaalsContact OG1-OG1 3.13Å
689	F	96.1	Very high	94.7	Very high	1 Å²	1	64.5 Å²	64.5	0%	0.004	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.4	178.7	-62.8	-89.6	0	0	0	110	L616 R617 M618 V628 V639 S671 F672 L674 Y687	L616-F689 HydrophobicContact CB-CD1 4.04Å; L616-F689 HydrophobicContact CD1-CB 4.22Å; L616-F689 HydrophobicContact CD1-CD1 3.8Å; L616-F689 HydrophobicContact CD1-CG 4.19Å; R617-F689 CarbonylContact O-C 3.49Å; R617-F689 WeakPolarHBondContact O-CA 3.29Å; M618-F689 HydrophobicContact CB-CD1 3.95Å; M618-F689 HydrophobicContact CB-CE1 3.84Å; M618-F689 HydrophobicContact CG-CD1 4.07Å; M618-F689 HydrophobicContact CG-CE1 3.7Å; M618-F689 HydrophobicContact CG-CZ 4Å; M618-F689 HydrophobicContact SD-CE1 3.69Å; M618-F689 HydrophobicContact SD-CZ 3.67Å; V628-F689 HydrophobicContact CG2-CD1 4.4Å; V628-F689 HydrophobicContact CG2-CE1 4.15Å; V639-F689 HydrophobicContact CG2-CE1 4.48Å; V639-F689 HydrophobicContact CG2-CZ 4.1Å; S671-F689 CarbonylContact C-O 3.56Å; S671-F689 VanDerWaalsContact CA-O 3.24Å; S671-F689 WeakPolarHBondContact CA-O 3.36Å; F672-F689 HydrophobicContact CD1-CB 4.15Å; F672-F689 HydrophobicContact CD2-CB 4.27Å; F672-F689 HydrophobicContact CD2-CD2 4.21Å; F672-F689 HydrophobicContact CE1-CB 3.7Å; F672-F689 HydrophobicContact CE2-CB 3.84Å; F672-F689 AromaticContact CE2-CD2 3.68Å; F672-F689 HydrophobicContact CE2-CD2 3.68Å; F672-F689 AromaticContact CE2-CG 3.99Å; F672-F689 HydrophobicContact CE2-CG 3.99Å; F672-F689 HydrophobicContact CG-CB 4.42Å; F672-F689 HydrophobicContact CZ-CB 3.54Å; F672-F689 HydrophobicContact CZ-CD2 4.14Å; F672-F689 AromaticContact CZ-CG 3.95Å; F672-F689 HydrophobicContact CZ-CG 3.95Å; F672-F689 PolarHBondContact N-O 2.83Å; F672-F689 PolarHBondContact O-N 3.18Å; L674-F689 HydrophobicContact CB-CE2 4.2Å; L674-F689 HydrophobicContact CD1-CD2 4.17Å; L674-F689 HydrophobicContact CD1-CE2 3.59Å; L674-F689 HydrophobicContact CD1-CZ 4.37Å; L674-F689 HydrophobicContact CG-CD2 3.99Å; L674-F689 HydrophobicContact CG-CE2 3.73Å; Y687-F689 VanDerWaalsContact CB-CE2 3.47Å; Y687-F689 HydrophobicContact CG-CE2 4.46Å
690	Q	95.4	Very high	94.9	Very high	64 Å²	64	57.4 Å²	57.4	30%	0.299	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.2	165.4	175.3	68.4	67.4	0	0	108.5	R617 P669 S671	R617-Q690 HydrophobicContact CB-CB 4.32Å; R617-Q690 PolarHBondContact N-O 3.43Å; R617-Q690 PolarHBondContact O-N 3.32Å; P669-Q690 PolarHBondContact O-NE2 2.84Å; S671-Q690 VanDerWaalsContact OG-CD 3.29Å; S671-Q690 PolarHBondContact OG-OE1 2.89Å
691	A	95.3	Very high	95	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.025	31%	0.305	C	S	.	.			trans	-82.1	164.9	170.1	0	0	0	0	0	111.5	L616 G670 S693 Q696	L616-A691 HydrophobicContact CD2-CB 3.77Å; G670-A691 WeakPolarHBondContact O-CB 3.36Å; G670-A691 PolarHBondContact O-N 2.86Å; A691-S693 PolarHBondContact O-N 3.49Å; A691-Q696 HydrophobicContact CB-CB 4Å; A691-Q696 HydrophobicContact CB-CG 4.12Å
692	N	93.1	Very high	95.2	Very high	112 Å²	112	50.1 Å²	50.1	60%	0.599	30%	0.303	S	S	*	.	S	Bend	trans	-72.8	-15.9	178.5	-66.1	-28.3	0	0	0	113
693	S	94.1	Very high	95.2	Very high	46 Å²	46	47.8 Å²	47.8	32%	0.322	29%	0.288	S	S	.	.	S	Bend	trans	-150.6	160.6	174.8	77.1	0	0	0	0	112.6	A691 S695 Q696 G697	A691-S693 PolarHBondContact O-N 3.49Å; S693-S695 PolarHBondContact O-N 2.84Å; S693-S695 PolarHBondContact OG-N 3.14Å; S693-S695 PolarHBondContact OG-OG 2.87Å; S693-Q696 PolarHBondContact O-N 2.93Å; S693-Q696 WeakPolarHBondContact OG-CB 3.34Å; S693-Q696 PolarHBondContact OG-N 3Å; S693-G697 PolarHBondContact O-N 3.44Å
694	A	94	Very high	95.3	Very high	36 Å²	36	44.5 Å²	44.5	30%	0.298	26%	0.261	S	S	.	.	H	α-helix	trans	-69.4	-14.5	173.6	0	0	0	0	0	114.1	P669 R698	P669-A694 HydrophobicContact CB-CB 3.97Å; A694-R698 PolarHBondContact O-NE 3.31Å; A694-R698 PolarHBondContact O-NH2 3.14Å
695	S	94.7	Very high	95.5	Very high	81 Å²	81	43.2 Å²	43.2	57%	0.566	26%	0.255	S	S	*	.	H	α-helix	trans	-82.1	-42	168.3	49.4	0	0	0	0	111.4	S693 S699	S693-S695 PolarHBondContact O-N 2.84Å; S693-S695 PolarHBondContact OG-N 3.14Å; S693-S695 PolarHBondContact OG-OG 2.87Å; S695-S699 WeakPolarHBondContact O-CB 3.43Å; S695-S699 PolarHBondContact O-N 3.2Å
696	Q	95.3	Very high	95.7	Very high	49 Å²	49	47.3 Å²	47.3	23%	0.229	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-44	176.4	-168.6	-166.1	16	0	0	111	A615 A691 S693 R698 S699 W700	A615-Q696 PolarHBondContact O-NE2 2.84Å; A691-Q696 HydrophobicContact CB-CB 4Å; A691-Q696 HydrophobicContact CB-CG 4.12Å; S693-Q696 PolarHBondContact O-N 2.93Å; S693-Q696 WeakPolarHBondContact OG-CB 3.34Å; S693-Q696 PolarHBondContact OG-N 3Å; Q696-R698 PolarHBondContact O-N 3.08Å; Q696-S699 WeakPolarHBondContact O-CB 3.42Å; Q696-S699 PolarHBondContact O-N 3.4Å; Q696-W700 VanDerWaalsContact O-CD1 3.28Å; Q696-W700 PolarHBondContact O-N 2.75Å; Q696-W700 VanDerWaalsContact O-N 3.08Å
697	G	95.6	Very high	95.8	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-59.4	-47.3	178.4	0	0	0	0	0	113	S693 W700 I701	S693-G697 PolarHBondContact O-N 3.44Å; G697-W700 PolarHBondContact O-N 2.95Å; G697-I701 WeakPolarHBondContact O-CG1 3.34Å; G697-I701 PolarHBondContact O-N 3.11Å
698	R	95.1	Very high	95.9	Very high	126 Å²	126	46.9 Å²	46.9	48%	0.475	26%	0.263	S	S	.	.	H	α-helix	trans	-63.5	-41.8	174.5	-74.6	178.7	-68	170.6	0.7	112.2	E665 A694 Q696 W700 I701 D702	E665-R698 VanDerWaalsContact OE1-CG 3.29Å; E665-R698 WeakPolarHBondContact OE1-CG 3.47Å; A694-R698 PolarHBondContact O-NE 3.31Å; A694-R698 PolarHBondContact O-NH2 3.14Å; Q696-R698 PolarHBondContact O-N 3.08Å; R698-W700 PolarHBondContact O-N 3.37Å; R698-W700 VanDerWaalsContact O-N 3.16Å; R698-I701 WeakPolarHBondContact O-CB 3.27Å; R698-I701 PolarHBondContact O-N 3.42Å; R698-D702 WeakPolarHBondContact O-CB 3.31Å; R698-D702 PolarHBondContact O-N 3.31Å
699	S	97	Very high	95.9	Very high	56 Å²	56	48 Å²	48	39%	0.392	27%	0.268	S	S	.	.	H	α-helix	trans	-57.3	-30.5	174.1	-170.7	0	0	0	0	113.9	S695 Q696 A703	S695-S699 WeakPolarHBondContact O-CB 3.43Å; S695-S699 PolarHBondContact O-N 3.2Å; Q696-S699 WeakPolarHBondContact O-CB 3.42Å; Q696-S699 PolarHBondContact O-N 3.4Å; S699-A703 WeakPolarHBondContact O-CB 3.31Å; S699-A703 PolarHBondContact O-N 2.92Å; S699-A703 VanDerWaalsContact O-N 3.11Å
700	W	97.8	Very high	95.8	Very high	4 Å²	4	51 Å²	51	2%	0.015	28%	0.282	C	S	.	.	H	α-helix	trans	-73.5	-42.8	171.9	-83.3	97.2	0	0	0	112.3	L612 L616 C630 L632 L637 F672 Q696 G697 R698 A703 I704	L612-W700 HydrophobicContact CB-CH2 4.46Å; L612-W700 HydrophobicContact CB-CZ3 4.48Å; L612-W700 HydrophobicContact CD2-CB 4.4Å; L612-W700 HydrophobicContact CD2-CD2 3.45Å; L612-W700 VanDerWaalsContact CD2-CD2 3.45Å; L612-W700 HydrophobicContact CD2-CE3 3.78Å; L612-W700 HydrophobicContact CD2-CG 3.76Å; L612-W700 HydrophobicContact CD2-CH2 4.35Å; L612-W700 HydrophobicContact CD2-CZ2 4.1Å; L612-W700 HydrophobicContact CD2-CZ3 4.23Å; L612-W700 HydrophobicContact CG-CD2 4.17Å; L612-W700 HydrophobicContact CG-CE3 4.33Å; L612-W700 HydrophobicContact CG-CH2 4.03Å; L612-W700 HydrophobicContact CG-CZ2 3.88Å; L612-W700 HydrophobicContact CG-CZ3 4.27Å; L616-W700 HydrophobicContact CD1-CD2 4.03Å; L616-W700 HydrophobicContact CD1-CG 4.39Å; L616-W700 HydrophobicContact CD1-CZ2 4.13Å; L616-W700 HydrophobicContact CG-CZ2 4.5Å; C630-W700 HydrophobicContact CB-CH2 3.53Å; C630-W700 HydrophobicContact CB-CZ2 4.18Å; C630-W700 HydrophobicContact CB-CZ3 3.97Å; L632-W700 HydrophobicContact CB-CZ3 3.91Å; L637-W700 HydrophobicContact CD1-CZ3 4.08Å; F672-W700 HydrophobicContact CE1-CB 3.73Å; F672-W700 HydrophobicContact CE1-CG 4.15Å; F672-W700 HydrophobicContact CE2-CB 4.36Å; F672-W700 HydrophobicContact CZ-CB 3.6Å; F672-W700 HydrophobicContact CZ-CD2 4.46Å; F672-W700 AromaticContact CZ-CG 3.94Å; F672-W700 HydrophobicContact CZ-CG 3.94Å; Q696-W700 VanDerWaalsContact O-CD1 3.28Å; Q696-W700 PolarHBondContact O-N 2.75Å; Q696-W700 VanDerWaalsContact O-N 3.08Å; G697-W700 PolarHBondContact O-N 2.95Å; R698-W700 PolarHBondContact O-N 3.37Å; R698-W700 VanDerWaalsContact O-N 3.16Å; W700-A703 PolarHBondContact O-N 3.04Å; W700-I704 WeakPolarHBondContact O-CB 3.37Å; W700-I704 VanDerWaalsContact O-CG1 3.25Å; W700-I704 WeakPolarHBondContact O-CG1 3.48Å; W700-I704 PolarHBondContact O-N 3.16Å
701	I	96.8	Very high	95.8	Very high	30 Å²	30	48.1 Å²	48.1	15%	0.154	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-49.6	176.9	-60	164.6	0	0	0	110.3	E665 F672 G697 R698 A703 I704 C705	E665-I701 HydrophobicContact CB-CD1 3.69Å; E665-I701 HydrophobicContact CG-CD1 3.72Å; F672-I701 HydrophobicContact CB-CD1 3.95Å; F672-I701 HydrophobicContact CB-CG1 3.9Å; F672-I701 HydrophobicContact CG-CG1 4.15Å; G697-I701 WeakPolarHBondContact O-CG1 3.34Å; G697-I701 PolarHBondContact O-N 3.11Å; R698-I701 WeakPolarHBondContact O-CB 3.27Å; R698-I701 PolarHBondContact O-N 3.42Å; I701-A703 PolarHBondContact O-N 2.97Å; I701-I704 PolarHBondContact O-N 2.8Å; I701-C705 WeakPolarHBondContact O-CB 3.3Å; I701-C705 PolarHBondContact O-N 3.49Å
702	D	96.6	Very high	95.7	Very high	93 Å²	93	53.9 Å²	53.9	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-61.5	-44.2	179.5	-63.5	-31.7	0	0	0	110.8	R698 C705 N706	R698-D702 WeakPolarHBondContact O-CB 3.31Å; R698-D702 PolarHBondContact O-N 3.31Å; D702-C705 PolarHBondContact O-N 2.8Å; D702-N706 WeakPolarHBondContact O-CB 3.47Å; D702-N706 PolarHBondContact O-N 2.76Å; D702-N706 PolarHBondContact O-ND2 3.4Å
703	A	97.5	Very high	95.7	Very high	17 Å²	17	56.5 Å²	56.5	14%	0.14	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-45.1	177.2	0	0	0	0	0	112.3	L612 L632 S699 W700 I701 C705 N706 V707	L612-A703 HydrophobicContact CB-CB 4.4Å; L612-A703 HydrophobicContact CD2-CB 3.94Å; L632-A703 HydrophobicContact CD2-CB 3.58Å; S699-A703 WeakPolarHBondContact O-CB 3.31Å; S699-A703 PolarHBondContact O-N 2.92Å; S699-A703 VanDerWaalsContact O-N 3.11Å; W700-A703 PolarHBondContact O-N 3.04Å; I701-A703 PolarHBondContact O-N 2.97Å; A703-C705 VanDerWaalsContact C-N 3.34Å; A703-C705 PolarHBondContact O-N 3.1Å; A703-N706 PolarHBondContact O-N 3.35Å; A703-V707 WeakPolarHBondContact O-CB 3.43Å; A703-V707 VanDerWaalsContact O-CG2 3.28Å; A703-V707 WeakPolarHBondContact O-CG2 3.23Å; A703-V707 PolarHBondContact O-N 3.28Å
704	I	97.8	Very high	95.6	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-44.4	176.9	-69.1	167.3	0	0	0	110.5	L632 C663 F672 L674 W700 I701 V707 Q708	L632-I704 HydrophobicContact CD1-CG1 4.13Å; L632-I704 HydrophobicContact CD2-CG1 3.93Å; C663-I704 HydrophobicContact CB-CG2 4.14Å; F672-I704 HydrophobicContact CE2-CD1 4.46Å; L674-I704 HydrophobicContact CD1-CD1 4.09Å; L674-I704 HydrophobicContact CD2-CD1 3.78Å; W700-I704 WeakPolarHBondContact O-CB 3.37Å; W700-I704 VanDerWaalsContact O-CG1 3.25Å; W700-I704 WeakPolarHBondContact O-CG1 3.48Å; W700-I704 PolarHBondContact O-N 3.16Å; I701-I704 PolarHBondContact O-N 2.8Å; I704-V707 PolarHBondContact O-N 3.11Å; I704-Q708 WeakPolarHBondContact O-CG 3.24Å; I704-Q708 PolarHBondContact O-N 3.34Å
705	C	96.6	Very high	95.5	Very high	59 Å²	59	55.4 Å²	55.4	40%	0.399	28%	0.279	S	S	.	.	H	α-helix	trans	-61.3	-45.9	176.3	-174.3	0	0	0	0	112	I701 D702 A703 V707 Q708 N709	I701-C705 WeakPolarHBondContact O-CB 3.3Å; I701-C705 PolarHBondContact O-N 3.49Å; D702-C705 PolarHBondContact O-N 2.8Å; A703-C705 VanDerWaalsContact C-N 3.34Å; A703-C705 PolarHBondContact O-N 3.1Å; C705-V707 PolarHBondContact O-N 3.48Å; C705-Q708 PolarHBondContact O-N 3.32Å; C705-N709 PolarHBondContact O-N 2.88Å; C705-N709 PolarHBondContact O-ND2 3.16Å
706	N	96.8	Very high	95.4	Very high	105 Å²	105	54.8 Å²	54.8	56%	0.561	27%	0.274	S	S	*	.	H	α-helix	trans	-62.3	-42.1	178	-73.7	-35.1	0	0	0	111.9	D702 A703 N709 Q710	D702-N706 WeakPolarHBondContact O-CB 3.47Å; D702-N706 PolarHBondContact O-N 2.76Å; D702-N706 PolarHBondContact O-ND2 3.4Å; A703-N706 PolarHBondContact O-N 3.35Å; N706-N709 PolarHBondContact O-N 3.44Å; N706-Q710 WeakPolarHBondContact O-CB 3.22Å; N706-Q710 PolarHBondContact O-N 3.16Å
707	V	96.8	Very high	95.2	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-65.1	-41.3	175.9	173.9	0	0	0	0	111.6	H611 L632 F633 T634 I658 A703 I704 C705 N709 Q710 L711	H611-V707 HydrophobicContact CB-CG2 3.86Å; H611-V707 VanDerWaalsContact CG-CG2 3.46Å; L632-V707 HydrophobicContact CD1-CB 4.46Å; L632-V707 HydrophobicContact CD1-CG1 4.4Å; L632-V707 HydrophobicContact CD1-CG2 4.33Å; L632-V707 HydrophobicContact CD2-CG2 4.09Å; L632-V707 HydrophobicContact CG-CG2 4.14Å; F633-V707 WeakPolarHBondContact O-CG1 3.48Å; T634-V707 WeakPolarHBondContact O-CG1 3.5Å; I658-V707 HydrophobicContact CG1-CG1 4.21Å; I658-V707 HydrophobicContact CG2-CG1 3.94Å; A703-V707 WeakPolarHBondContact O-CB 3.43Å; A703-V707 VanDerWaalsContact O-CG2 3.28Å; A703-V707 WeakPolarHBondContact O-CG2 3.23Å; A703-V707 PolarHBondContact O-N 3.28Å; I704-V707 PolarHBondContact O-N 3.11Å; C705-V707 PolarHBondContact O-N 3.48Å; V707-N709 VanDerWaalsContact C-N 3.34Å; V707-N709 PolarHBondContact O-N 2.99Å; V707-Q710 PolarHBondContact O-N 3.03Å; V707-L711 WeakPolarHBondContact O-CB 3.27Å; V707-L711 PolarHBondContact O-N 3Å
708	Q	96.3	Very high	94.9	Very high	54 Å²	54	58.8 Å²	58.8	25%	0.252	29%	0.292	S	S	.	.	H	α-helix	trans	-57.2	-47.3	174	-76.8	178.4	-33.2	0	0	111.8	I658 I661 I704 C705 Q710 Q712	I658-Q708 HydrophobicContact CG2-CB 4.31Å; I658-Q708 HydrophobicContact CG2-CG 3.28Å; I658-Q708 PolarHBondContact O-NE2 2.58Å; I661-Q708 PolarHBondContact O-NE2 3.4Å; I704-Q708 WeakPolarHBondContact O-CG 3.24Å; I704-Q708 PolarHBondContact O-N 3.34Å; C705-Q708 PolarHBondContact O-N 3.32Å; Q708-Q710 PolarHBondContact O-N 3.18Å; Q708-Q712 WeakPolarHBondContact O-CB 3.48Å; Q708-Q712 PolarHBondContact O-N 3.4Å; Q708-Q712 VanDerWaalsContact O-N 3.07Å
709	N	95.6	Very high	94.7	Very high	69 Å²	69	56.2 Å²	56.2	37%	0.369	29%	0.291	S	S	.	.	H	α-helix	trans	-65.2	-36.1	177	-72.7	-64.1	0	0	0	112.9	C705 N706 V707 R713	C705-N709 PolarHBondContact O-N 2.88Å; C705-N709 PolarHBondContact O-ND2 3.16Å; N706-N709 PolarHBondContact O-N 3.44Å; V707-N709 VanDerWaalsContact C-N 3.34Å; V707-N709 PolarHBondContact O-N 2.99Å; N709-R713 WeakPolarHBondContact O-CD 3.49Å; N709-R713 VanDerWaalsContact O-CG 3.29Å; N709-R713 WeakPolarHBondContact O-CG 3.22Å; N709-R713 PolarHBondContact O-N 3.17Å
710	Q	94.1	Very high	94.3	Very high	65 Å²	65	58.1 Å²	58.1	30%	0.304	30%	0.296	S	S	.	.	H	α-helix	trans	-69.2	-48.9	176.3	179.6	174.2	-21.4	0	0	111.8	H611 N706 V707 Q708 Q712 R713 L714	H611-Q710 PolarHBondContact CE1-OE1 3.2Å; N706-Q710 WeakPolarHBondContact O-CB 3.22Å; N706-Q710 PolarHBondContact O-N 3.16Å; V707-Q710 PolarHBondContact O-N 3.03Å; Q708-Q710 PolarHBondContact O-N 3.18Å; Q710-Q712 VanDerWaalsContact C-N 3.28Å; Q710-Q712 PolarHBondContact O-N 3.43Å; Q710-R713 WeakPolarHBondContact O-CB 3.3Å; Q710-R713 PolarHBondContact O-N 3.09Å; Q710-R713 VanDerWaalsContact O-N 3.08Å; Q710-L714 HydrophobicContact CG-CD1 4.41Å; Q710-L714 PolarHBondContact O-N 3.07Å
711	L	94.7	Very high	93.8	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.016	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-40	178.6	-177.3	64.9	0	0	0	111.6	T602 D635 I658 H659 V707 R713 L714 R715	T602-L711 HydrophobicContact CG2-CD1 4.26Å; D635-L711 HydrophobicContact CB-CD1 3.97Å; D635-L711 HydrophobicContact CB-CD2 4.46Å; I658-L711 HydrophobicContact CB-CD2 4.31Å; H659-L711 HydrophobicContact CB-CD2 4.3Å; V707-L711 WeakPolarHBondContact O-CB 3.27Å; V707-L711 PolarHBondContact O-N 3Å; L711-R713 PolarHBondContact O-N 3.08Å; L711-L714 PolarHBondContact O-N 3.13Å; L711-R715 WeakPolarHBondContact O-CB 3.33Å; L711-R715 WeakPolarHBondContact O-CD 3.42Å; L711-R715 VanDerWaalsContact O-CG 3.23Å; L711-R715 WeakPolarHBondContact O-CG 3.35Å; L711-R715 PolarHBondContact O-N 3.43Å
712	Q	93.9	Very high	93.3	Very high	124 Å²	124	66.4 Å²	66.4	58%	0.579	33%	0.33	S	S	*	.	H	α-helix	trans	-61.5	-42	175	-173.8	176.4	-0.8	0	0	112	Q708 Q710 R715 S716	Q708-Q712 WeakPolarHBondContact O-CB 3.48Å; Q708-Q712 PolarHBondContact O-N 3.4Å; Q708-Q712 VanDerWaalsContact O-N 3.07Å; Q710-Q712 VanDerWaalsContact C-N 3.28Å; Q710-Q712 PolarHBondContact O-N 3.43Å; Q712-R715 PolarHBondContact O-N 3.37Å; Q712-S716 PolarHBondContact O-N 3.05Å; Q712-S716 PolarHBondContact O-OG 3.31Å
713	R	93.2	Very high	92.9	Very high	167 Å²	167	66.1 Å²	66.1	63%	0.63	33%	0.326	S	S	*	.	H	α-helix	trans	-64	-46.8	177.6	-69.6	166.2	-173.2	-172.7	2	112	N709 Q710 L711 R715 S716 Q717	N709-R713 WeakPolarHBondContact O-CD 3.49Å; N709-R713 VanDerWaalsContact O-CG 3.29Å; N709-R713 WeakPolarHBondContact O-CG 3.22Å; N709-R713 PolarHBondContact O-N 3.17Å; Q710-R713 WeakPolarHBondContact O-CB 3.3Å; Q710-R713 PolarHBondContact O-N 3.09Å; Q710-R713 VanDerWaalsContact O-N 3.08Å; L711-R713 PolarHBondContact O-N 3.08Å; R713-R715 VanDerWaalsContact C-N 3.31Å; R713-R715 PolarHBondContact O-N 3.41Å; R713-S716 PolarHBondContact O-N 3.35Å; R713-Q717 WeakPolarHBondContact O-CG 3.36Å; R713-Q717 PolarHBondContact O-N 3.1Å
714	L	92.1	Very high	92.3	Very high	20 Å²	20	69.2 Å²	69.2	11%	0.105	34%	0.34	C	S	.	.	H	α-helix	trans	-59.6	-41.9	177.6	-65.8	176.7	0	0	0	111.6	M599 T602 E606 Q710 L711 Q717 E718	M599-L714 HydrophobicContact CE-CD1 4.26Å; T602-L714 HydrophobicContact CG2-CB 3.83Å; E606-L714 HydrophobicContact CG-CD2 4.19Å; Q710-L714 HydrophobicContact CG-CD1 4.41Å; Q710-L714 PolarHBondContact O-N 3.07Å; L711-L714 PolarHBondContact O-N 3.13Å; L714-Q717 PolarHBondContact O-N 2.63Å; L714-E718 PolarHBondContact O-N 2.84Å
715	R	92.4	Very high	91.6	Very high	39 Å²	39	73 Å²	73	15%	0.147	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-46	175.5	-73.6	167.9	168.6	-122.3	-19.8	112.3	R600 E601 T602 H659 L711 Q712 R713 Q717 E718 V719	R600-R715 PolarHBondContact O-NH2 3.23Å; E601-R715 HydrophobicContact CB-CG 4.21Å; E601-R715 VanDerWaalsContact CD-CZ 3.43Å; E601-R715 VanDerWaalsContact CD-NH1 3.32Å; E601-R715 VanDerWaalsContact O-CG 3.31Å; E601-R715 WeakPolarHBondContact O-CG 3.42Å; E601-R715 IonicContact OE1-CZ 2.74Å; E601-R715 IonicContact OE1-NH1 2.71Å; E601-R715 PolarHBondContact OE1-NH1 2.88Å; E601-R715 IonicContact OE1-NH2 2.76Å; E601-R715 PolarHBondContact OE1-NH2 2.89Å; E601-R715 IonicContact OE2-CZ 2.73Å; E601-R715 IonicContact OE2-NH1 2.72Å; E601-R715 PolarHBondContact OE2-NH1 2.85Å; E601-R715 IonicContact OE2-NH2 3.57Å; E601-R715 PolarHBondContact OE2-NH2 3.27Å; T602-R715 HydrophobicContact CG2-CG 4.08Å; H659-R715 PolarHBondContact ND1-NH1 3.31Å; L711-R715 WeakPolarHBondContact O-CB 3.33Å; L711-R715 WeakPolarHBondContact O-CD 3.42Å; L711-R715 VanDerWaalsContact O-CG 3.23Å; L711-R715 WeakPolarHBondContact O-CG 3.35Å; L711-R715 PolarHBondContact O-N 3.43Å; Q712-R715 PolarHBondContact O-N 3.37Å; R713-R715 VanDerWaalsContact C-N 3.31Å; R713-R715 PolarHBondContact O-N 3.41Å; R715-Q717 VanDerWaalsContact C-N 3.32Å; R715-Q717 PolarHBondContact O-N 3.17Å; R715-E718 PolarHBondContact O-N 2.93Å; R715-V719 WeakPolarHBondContact O-CG2 3.23Å; R715-V719 PolarHBondContact O-N 2.77Å
716	S	91.4	Very high	90.9	Very high	67 Å²	67	76.7 Å²	76.7	47%	0.469	37%	0.371	S	S	.	.	H	α-helix	trans	-63.3	-36.3	175.6	-65.4	0	0	0	0	112.9	Q712 R713 L720	Q712-S716 PolarHBondContact O-N 3.05Å; Q712-S716 PolarHBondContact O-OG 3.31Å; R713-S716 PolarHBondContact O-N 3.35Å; S716-L720 WeakPolarHBondContact O-CG 3.49Å; S716-L720 PolarHBondContact O-N 3.02Å; S716-L720 VanDerWaalsContact O-N 3.15Å
717	Q	90.5	Very high	90.2	Very high	121 Å²	121	77 Å²	77	57%	0.565	37%	0.367	S	S	*	.	H	α-helix	trans	-67.2	-42.2	175.9	-74.3	170.5	-37	0	0	112	R713 L714 R715 L720 R721	R713-Q717 WeakPolarHBondContact O-CG 3.36Å; R713-Q717 PolarHBondContact O-N 3.1Å; L714-Q717 PolarHBondContact O-N 2.63Å; R715-Q717 VanDerWaalsContact C-N 3.32Å; R715-Q717 PolarHBondContact O-N 3.17Å; Q717-L720 PolarHBondContact O-N 3.36Å; Q717-R721 WeakPolarHBondContact O-CB 3.31Å; Q717-R721 PolarHBondContact O-N 3.16Å
718	E	90.2	Very high	89.2	Confident	13 Å²	13	83.5 Å²	83.5	6%	0.061	40%	0.395	C	S	.	.	H	α-helix	trans	-66	-39.4	176.3	179.1	58.4	-167.1	0	0	112.2	S603 L714 R715 L720 R721 Q722	S603-E718 WeakPolarHBondContact CA-OE2 3.46Å; S603-E718 WeakPolarHBondContact CB-OE2 3.42Å; L714-E718 PolarHBondContact O-N 2.84Å; R715-E718 PolarHBondContact O-N 2.93Å; E718-L720 VanDerWaalsContact C-N 3.35Å; E718-L720 PolarHBondContact O-N 2.97Å; E718-R721 PolarHBondContact O-N 3.4Å; E718-R721 IonicContact OE1-CZ 2.76Å; E718-R721 IonicContact OE1-NE 3.51Å; E718-R721 IonicContact OE1-NH2 3.55Å; E718-R721 PolarHBondContact OE1-NH2 3.44Å; E718-R721 IonicContact OE2-CZ 3.21Å; E718-R721 IonicContact OE2-NE 3.57Å; E718-R721 PolarHBondContact OE2-NE 2.78Å; E718-R721 IonicContact OE2-NH2 2.78Å; E718-R721 PolarHBondContact OE2-NH2 3.24Å; E718-Q722 HydrophobicContact CG-CG 4.47Å; E718-Q722 WeakPolarHBondContact O-CG 3.31Å; E718-Q722 PolarHBondContact O-N 2.95Å; E718-Q722 PolarHBondContact OE1-NE2 2.9Å
719	V	90.1	Very high	88	Confident	73 Å²	73	83.7 Å²	83.7	44%	0.442	40%	0.402	S	S	.	.	H	α-helix	trans	-61.2	-42.5	174.7	170	0	0	0	0	111.6	R715 Q722 Q723	R715-V719 WeakPolarHBondContact O-CG2 3.23Å; R715-V719 PolarHBondContact O-N 2.77Å; V719-Q722 PolarHBondContact O-N 2.93Å; V719-Q723 WeakPolarHBondContact O-CG 3.34Å; V719-Q723 PolarHBondContact O-N 2.68Å
720	L	89.6	Confident	86.8	Confident	96 Å²	96	83.3 Å²	83.3	50%	0.503	40%	0.402	S	S	.	.	H	α-helix	trans	-64.3	-43.5	174.5	-69.8	168.7	0	0	0	111.4	S716 Q717 E718 Q722 Q723 D724	S716-L720 WeakPolarHBondContact O-CG 3.49Å; S716-L720 PolarHBondContact O-N 3.02Å; S716-L720 VanDerWaalsContact O-N 3.15Å; Q717-L720 PolarHBondContact O-N 3.36Å; E718-L720 VanDerWaalsContact C-N 3.35Å; E718-L720 PolarHBondContact O-N 2.97Å; L720-Q722 VanDerWaalsContact C-N 3.33Å; L720-Q722 PolarHBondContact O-N 3.41Å; L720-Q723 PolarHBondContact O-N 2.87Å; L720-D724 PolarHBondContact O-N 2.76Å
721	R	86.9	Confident	85.5	Confident	101 Å²	101	82.2 Å²	82.2	38%	0.381	40%	0.404	S	S	.	.	H	α-helix	trans	-59.4	-42.3	176.7	-166.1	-175.1	72.1	102.3	7	111.9	Q717 E718 D724 I725	Q717-R721 WeakPolarHBondContact O-CB 3.31Å; Q717-R721 PolarHBondContact O-N 3.16Å; E718-R721 PolarHBondContact O-N 3.4Å; E718-R721 IonicContact OE1-CZ 2.76Å; E718-R721 IonicContact OE1-NE 3.51Å; E718-R721 IonicContact OE1-NH2 3.55Å; E718-R721 PolarHBondContact OE1-NH2 3.44Å; E718-R721 IonicContact OE2-CZ 3.21Å; E718-R721 IonicContact OE2-NE 3.57Å; E718-R721 PolarHBondContact OE2-NE 2.78Å; E718-R721 IonicContact OE2-NH2 2.78Å; E718-R721 PolarHBondContact OE2-NH2 3.24Å; R721-D724 PolarHBondContact O-N 2.66Å; R721-I725 HydrophobicContact CG-CD1 4.19Å; R721-I725 WeakPolarHBondContact O-CD1 3.5Å; R721-I725 VanDerWaalsContact O-CG1 3.26Å; R721-I725 WeakPolarHBondContact O-CG1 3.43Å; R721-I725 PolarHBondContact O-N 2.78Å
722	Q	86.3	Confident	83.9	Confident	106 Å²	106	87.7 Å²	87.7	50%	0.495	43%	0.429	S	S	.	.	H	α-helix	trans	-66.7	-40.9	176.8	-71.6	176	9.2	0	0	112.1	E718 V719 L720 I725 Q726	E718-Q722 HydrophobicContact CG-CG 4.47Å; E718-Q722 WeakPolarHBondContact O-CG 3.31Å; E718-Q722 PolarHBondContact O-N 2.95Å; E718-Q722 PolarHBondContact OE1-NE2 2.9Å; V719-Q722 PolarHBondContact O-N 2.93Å; L720-Q722 VanDerWaalsContact C-N 3.33Å; L720-Q722 PolarHBondContact O-N 3.41Å; Q722-I725 PolarHBondContact O-N 3.49Å; Q722-Q726 WeakPolarHBondContact O-CB 2.9Å; Q722-Q726 PolarHBondContact O-N 3.19Å
723	Q	87.5	Confident	82.3	Confident	88 Å²	88	86.4 Å²	86.4	41%	0.411	43%	0.427	S	S	.	.	H	α-helix	trans	-63	-39.9	173.6	-72.7	174.9	6	0	0	112.4	V719 L720 Q726 K727	V719-Q723 WeakPolarHBondContact O-CG 3.34Å; V719-Q723 PolarHBondContact O-N 2.68Å; L720-Q723 PolarHBondContact O-N 2.87Å; Q723-Q726 PolarHBondContact O-N 2.96Å; Q723-K727 VanDerWaalsContact O-CG 3.23Å; Q723-K727 WeakPolarHBondContact O-CG 3.33Å; Q723-K727 PolarHBondContact O-N 2.97Å
724	D	85.2	Confident	80.6	Confident	81 Å²	81	85 Å²	85	43%	0.433	43%	0.427	S	S	.	.	H	α-helix	trans	-76.3	-25.1	179.5	-70.1	-15.8	0	0	0	113.2	L720 R721 K727 K728	L720-D724 PolarHBondContact O-N 2.76Å; R721-D724 PolarHBondContact O-N 2.66Å; D724-K727 IonicContact OD1-NZ 2.73Å; D724-K727 PolarHBondContact OD1-NZ 3.23Å; D724-K728 WeakPolarHBondContact O-CG 3.46Å; D724-K728 PolarHBondContact O-N 3.04Å
725	I	83.9	Confident	78.9	Confident	82 Å²	82	91 Å²	91	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-68.9	-49	165.7	-70.1	163	0	0	0	109.7	R721 Q722 K727 K728 C729	R721-I725 HydrophobicContact CG-CD1 4.19Å; R721-I725 WeakPolarHBondContact O-CD1 3.5Å; R721-I725 VanDerWaalsContact O-CG1 3.26Å; R721-I725 WeakPolarHBondContact O-CG1 3.43Å; R721-I725 PolarHBondContact O-N 2.78Å; Q722-I725 PolarHBondContact O-N 3.49Å; I725-K727 PolarHBondContact O-N 2.89Å; I725-K728 WeakPolarHBondContact O-CB 3.33Å; I725-K728 PolarHBondContact O-N 3.48Å; I725-C729 PolarHBondContact O-N 3.08Å; I725-C729 VanDerWaalsContact O-N 3.09Å
726	Q	81.4	Confident	77	Confident	135 Å²	135	96.1 Å²	96.1	63%	0.631	48%	0.48	S	S	*	.	H	α-helix	trans	-60.7	-42.7	-178	-171.1	172.9	13.2	0	0	112.3	Q722 Q723 K728 C729 T730	Q722-Q726 WeakPolarHBondContact O-CB 2.9Å; Q722-Q726 PolarHBondContact O-N 3.19Å; Q723-Q726 PolarHBondContact O-N 2.96Å; Q726-K728 PolarHBondContact O-N 3.08Å; Q726-C729 PolarHBondContact O-N 3.28Å; Q726-T730 PolarHBondContact O-N 3.19Å; Q726-T730 PolarHBondContact O-OG1 3.25Å
727	K	81.7	Confident	75.2	Confident	112 Å²	112	100 Å²	100	49%	0.487	49%	0.491	S	S	.	.	H	α-helix	trans	-60.4	-30.8	174.4	-71.5	166.5	-155.8	160	0	113.7	Q723 D724 I725 T730 A731	Q723-K727 VanDerWaalsContact O-CG 3.23Å; Q723-K727 WeakPolarHBondContact O-CG 3.33Å; Q723-K727 PolarHBondContact O-N 2.97Å; D724-K727 IonicContact OD1-NZ 2.73Å; D724-K727 PolarHBondContact OD1-NZ 3.23Å; I725-K727 PolarHBondContact O-N 2.89Å; K727-T730 WeakPolarHBondContact CA-OG1 3.46Å; K727-T730 PolarHBondContact O-OG1 3.16Å; K727-T730 VanDerWaalsContact O-OG1 3.12Å; K727-A731 WeakPolarHBondContact O-CB 3.16Å; K727-A731 PolarHBondContact O-N 2.97Å; K727-A731 VanDerWaalsContact O-N 3.15Å
728	K	75.7	Confident	73.3	Confident	138 Å²	138	101.4 Å²	101.4	60%	0.6	50%	0.498	S	S	*	.	H	α-helix	trans	-75.1	-47.4	178.3	-79	-179.3	173.7	-164.3	0	111	D724 I725 Q726 T730 A731 E732	D724-K728 WeakPolarHBondContact O-CG 3.46Å; D724-K728 PolarHBondContact O-N 3.04Å; I725-K728 WeakPolarHBondContact O-CB 3.33Å; I725-K728 PolarHBondContact O-N 3.48Å; Q726-K728 PolarHBondContact O-N 3.08Å; K728-T730 VanDerWaalsContact C-N 3.31Å; K728-T730 PolarHBondContact O-N 3.06Å; K728-A731 PolarHBondContact O-N 2.88Å; K728-E732 WeakPolarHBondContact O-CG 3.49Å; K728-E732 PolarHBondContact O-N 3.4Å
729	C	72.1	Confident	71.3	Confident	57 Å²	57	106.6 Å²	106.6	39%	0.385	53%	0.526	S	S	.	.	H	α-helix	trans	-56.6	-47.4	173.9	-60.1	0	0	0	0	110.5	I725 Q726 A731 E732 D733	I725-C729 PolarHBondContact O-N 3.08Å; I725-C729 VanDerWaalsContact O-N 3.09Å; Q726-C729 PolarHBondContact O-N 3.28Å; C729-A731 VanDerWaalsContact C-N 3.26Å; C729-A731 PolarHBondContact O-N 2.82Å; C729-E732 CarbonylContact O-C 3.57Å; C729-E732 PolarHBondContact O-N 2.72Å; C729-E732 VanDerWaalsContact O-N 3.16Å; C729-D733 WeakPolarHBondContact O-CB 3.48Å; C729-D733 PolarHBondContact O-N 3.34Å; C729-D733 VanDerWaalsContact O-OD2 3.07Å
730	T	70.8	Confident	69.4	Low	61 Å²	61	110.2 Å²	110.2	37%	0.374	54%	0.538	S	S	.	.	H	α-helix	trans	-65.6	-24.8	177.5	56	0	0	0	0	114.3	Q726 K727 K728 E734	Q726-T730 PolarHBondContact O-N 3.19Å; Q726-T730 PolarHBondContact O-OG1 3.25Å; K727-T730 WeakPolarHBondContact CA-OG1 3.46Å; K727-T730 PolarHBondContact O-OG1 3.16Å; K727-T730 VanDerWaalsContact O-OG1 3.12Å; K728-T730 VanDerWaalsContact C-N 3.31Å; K728-T730 PolarHBondContact O-N 3.06Å; T730-E734 VanDerWaalsContact O-CB 3.29Å; T730-E734 WeakPolarHBondContact O-CB 3.46Å; T730-E734 VanDerWaalsContact O-CG 3.23Å; T730-E734 WeakPolarHBondContact O-CG 3.35Å; T730-E734 PolarHBondContact O-N 3.42Å
731	A	65.7	Low	67.3	Low	42 Å²	42	109.5 Å²	109.5	35%	0.347	54%	0.541	S	S	.	.	H	α-helix	trans	-80	-35.3	174.3	0	0	0	0	0	111.9	K727 K728 C729 E734 E735	K727-A731 WeakPolarHBondContact O-CB 3.16Å; K727-A731 PolarHBondContact O-N 2.97Å; K727-A731 VanDerWaalsContact O-N 3.15Å; K728-A731 PolarHBondContact O-N 2.88Å; C729-A731 VanDerWaalsContact C-N 3.26Å; C729-A731 PolarHBondContact O-N 2.82Å; A731-E734 PolarHBondContact O-N 2.96Å; A731-E735 WeakPolarHBondContact O-CB 3.43Å; A731-E735 WeakPolarHBondContact O-CG 3.4Å; A731-E735 PolarHBondContact O-N 3.48Å
732	E	61.4	Low	65.4	Low	118 Å²	118	109.1 Å²	109.1	55%	0.551	55%	0.554	S	S	*	*	H	α-helix	trans	-66.9	-40.2	171.1	-69	162.5	179.6	0	0	110	K728 C729 E735 E736	K728-E732 WeakPolarHBondContact O-CG 3.49Å; K728-E732 PolarHBondContact O-N 3.4Å; C729-E732 CarbonylContact O-C 3.57Å; C729-E732 PolarHBondContact O-N 2.72Å; C729-E732 VanDerWaalsContact O-N 3.16Å; E732-E735 PolarHBondContact O-N 2.62Å; E732-E736 PolarHBondContact O-N 3.3Å
733	D	59.7	Low	63.5	Low	97 Å²	97	110.7 Å²	110.7	52%	0.519	57%	0.566	S	S	.	*	H	α-helix	trans	-64.8	-41.9	172.3	-60.2	-38.9	0	0	0	112	C729 E736 E737	C729-D733 WeakPolarHBondContact O-CB 3.48Å; C729-D733 PolarHBondContact O-N 3.34Å; C729-D733 VanDerWaalsContact O-OD2 3.07Å; D733-E736 PolarHBondContact O-N 2.7Å; D733-E737 PolarHBondContact O-N 3.15Å
734	E	57.7	Low	61.4	Low	139 Å²	139	110.6 Å²	110.6	65%	0.65	57%	0.574	S	S	*	*	H	α-helix	trans	-68.5	-35.8	176.7	-81	174.3	-175.5	0	0	112.3	T730 A731 E738	T730-E734 VanDerWaalsContact O-CB 3.29Å; T730-E734 WeakPolarHBondContact O-CB 3.46Å; T730-E734 VanDerWaalsContact O-CG 3.23Å; T730-E734 WeakPolarHBondContact O-CG 3.35Å; T730-E734 PolarHBondContact O-N 3.42Å; A731-E734 PolarHBondContact O-N 2.96Å; E734-E738 PolarHBondContact O-N 3.19Å; E734-E738 VanDerWaalsContact O-N 3.08Å
735	E	56.2	Low	59.1	Low	146 Å²	146	111.6 Å²	111.6	68%	0.682	59%	0.594	S	S	*	*	H	α-helix	trans	-67.1	-38	172.2	-76	-178.8	-170.5	0	0	111.8	A731 E732 D739	A731-E735 WeakPolarHBondContact O-CB 3.43Å; A731-E735 WeakPolarHBondContact O-CG 3.4Å; A731-E735 PolarHBondContact O-N 3.48Å; E732-E735 PolarHBondContact O-N 2.62Å; E735-D739 PolarHBondContact O-N 2.91Å
736	E	54.1	Low	56.8	Low	145 Å²	145	114.6 Å²	114.6	68%	0.678	62%	0.617	S	S	*	*	H	α-helix	trans	-70.4	-36.4	173.6	-72.3	-168.4	-180	0	0	113	E732 D733 D739 E740	E732-E736 PolarHBondContact O-N 3.3Å; D733-E736 PolarHBondContact O-N 2.7Å; E736-D739 PolarHBondContact O-N 2.69Å; E736-E740 PolarHBondContact O-N 3.07Å
737	E	52.5	Low	54.7	Low	150 Å²	150	113.5 Å²	113.5	70%	0.701	62%	0.624	S	S	*	*	H	α-helix	trans	-69.5	-31.7	174.3	-81.4	-159.9	-169.9	0	0	113.3	D733 S741	D733-E737 PolarHBondContact O-N 3.15Å; E737-S741 WeakPolarHBondContact O-CB 3.16Å; E737-S741 PolarHBondContact O-N 2.83Å; E737-S741 PolarHBondContact O-OG 2.75Å
738	E	50.4	Low	52.4	Low	150 Å²	150	113.9 Å²	113.9	70%	0.701	64%	0.64	S	S	*	*	H	α-helix	trans	-65.8	-38.4	172.1	-74.8	-156.3	160.2	0	0	111.9	E734 S741 S742	E734-E738 PolarHBondContact O-N 3.19Å; E734-E738 VanDerWaalsContact O-N 3.08Å; E738-S741 PolarHBondContact O-OG 3.2Å; E738-S742 PolarHBondContact O-N 3.09Å; E738-S742 PolarHBondContact O-OG 3.34Å
739	D	49.1	Very low	51	Low	122 Å²	122	112.6 Å²	112.6	65%	0.652	65%	0.646	S	S	*	*	H	α-helix	trans	-72.1	-36	175.6	-100.1	-9.8	0	0	0	113.1	E735 E736 N743	E735-D739 PolarHBondContact O-N 2.91Å; E736-D739 PolarHBondContact O-N 2.69Å; D739-N743 PolarHBondContact O-ND2 3.45Å
740	E	49.7	Very low	49.1	Very low	149 Å²	149	116.9 Å²	116.9	70%	0.696	66%	0.664	S	S	*	*	H	α-helix	trans	-73.2	-38.6	172.7	-77.3	-137.3	139.1	0	0	113.1	E736 S742 N743 S744	E736-E740 PolarHBondContact O-N 3.07Å; E740-S742 PolarHBondContact O-N 3.35Å; E740-N743 PolarHBondContact O-N 3.4Å; E740-S744 PolarHBondContact O-OG 3.27Å
741	S	44.9	Very low	47.1	Very low	80 Å²	80	120.7 Å²	120.7	56%	0.559	68%	0.681	S	S	*	*	H	α-helix	trans	-63.3	-29.8	178.5	73.9	0	0	0	0	112.3	E737 E738 N743	E737-S741 WeakPolarHBondContact O-CB 3.16Å; E737-S741 PolarHBondContact O-N 2.83Å; E737-S741 PolarHBondContact O-OG 2.75Å; E738-S741 PolarHBondContact O-OG 3.2Å; S741-N743 PolarHBondContact O-N 3.28Å; S741-N743 VanDerWaalsContact O-N 3.16Å
742	S	47	Very low	45.5	Very low	94 Å²	94	130.6 Å²	130.6	66%	0.657	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-14.4	173.9	-66.1	0	0	0	0	114.1	E738 E740	E738-S742 PolarHBondContact O-N 3.09Å; E738-S742 PolarHBondContact O-OG 3.34Å; E740-S742 PolarHBondContact O-N 3.35Å
743	N	47.4	Very low	44.1	Very low	139 Å²	139	133.4 Å²	133.4	74%	0.743	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.5	-5.9	-171.2	-74.8	-73.1	0	0	0	115.7	D739 E740 S741	D739-N743 PolarHBondContact O-ND2 3.45Å; E740-N743 PolarHBondContact O-N 3.4Å; S741-N743 PolarHBondContact O-N 3.28Å; S741-N743 VanDerWaalsContact O-N 3.16Å
744	S	42	Very low	42.8	Very low	85 Å²	85	136.2 Å²	136.2	59%	0.594	73%	0.73	S	S	*	*			trans	-116.2	36.9	-162.5	51.8	0	0	0	0	116.6	E740 T746	E740-S744 PolarHBondContact O-OG 3.27Å; S744-T746 PolarHBondContact O-N 3Å; S744-T746 VanDerWaalsContact O-N 3.12Å
745	A	37.2	Very low	41.5	Very low	103 Å²	103	136 Å²	136	85%	0.851	73%	0.729	S	S	*	*			trans	-84.8	71.6	-178.7	0	0	0	0	0	115.5
746	T	36.4	Very low	40.4	Very low	145 Å²	145	136.5 Å²	136.5	89%	0.89	73%	0.731	S	S	*	*			trans	-134.7	156.2	162.7	51.7	0	0	0	0	112.9	S744	S744-T746 PolarHBondContact O-N 3Å; S744-T746 VanDerWaalsContact O-N 3.12Å
747	S	37.5	Very low	39.3	Very low	112 Å²	112	136.1 Å²	136.1	78%	0.783	73%	0.729	S	S	*	*			trans	-105.3	146.8	-154.1	56.8	0	0	0	0	116.3
748	S	33	Very low	38.4	Very low	119 Å²	119	136 Å²	136	83%	0.832	73%	0.734	S	S	*	*				-166.2	158.6	128	-83.9	0	0	0	0	112.5
749	P	47.4	Very low	37.8	Very low	111 Å²	111	137.7 Å²	137.7	72%	0.721	76%	0.762	S	S	*	*			trans	-130	-167.6	-161.8	37.7	-17.7	0	0	0	115.4
750	I	31.1	Very low	37.2	Very low	148 Å²	148	138.5 Å²	138.5	76%	0.759	77%	0.768	S	S	*	*			trans	99	144.3	155.6	-69.6	164.6	0	0	0	118.8
751	L	29.4	Very low	36.6	Very low	141 Å²	141	137.9 Å²	137.9	74%	0.738	77%	0.771	S	S	*	*			trans	69.4	87.2	170.6	-78.7	162.1	0	0	0	119.2
752	R	31.4	Very low	36.1	Very low	249 Å²	249	141.2 Å²	141.2	94%	0.94	78%	0.783	S	S	*	*			trans	-93.9	128.9	138.7	-88.1	-171.2	171.9	-174.1	-1.7	109.4
753	H	31.4	Very low	35.5	Very low	177 Å²	177	143.9 Å²	143.9	82%	0.819	79%	0.791	S	S	*	*			trans	-74	166.4	162.9	-106.7	-97.4	0	0	0	110.9
754	K	33.5	Very low	34.7	Very low	156 Å²	156	144.3 Å²	144.3	68%	0.678	79%	0.794	S	S	*	*			trans	-124.1	158.9	-173.8	-168.4	-167.9	177.1	-139	0	108.9
755	E	31.1	Very low	34.2	Very low	135 Å²	135	148.2 Å²	148.2	63%	0.631	81%	0.807	S	S	*	*			trans	67.6	150	176.4	-74	122.5	-164.6	0	0	114.3
756	E	31	Very low	34	Very low	156 Å²	156	151.4 Å²	151.4	73%	0.729	80%	0.804	S	S	*	*			cis	-153.5	177.4	-3.8	-127.6	177.2	162.8	0	0	115
757	Q	32.6	Very low	33.9	Very low	137 Å²	137	151.9 Å²	151.9	64%	0.64	80%	0.797	S	S	*	*			trans	-26.2	152.4	173.6	-63.6	165	49.5	0	0	121.5
758	N	33.7	Very low	33.6	Very low	149 Å²	149	155.3 Å²	155.3	80%	0.797	80%	0.798	S	S	*	*			trans	68.4	152.4	153.1	-55.5	-24.7	0	0	0	117.6
759	S	37.1	Very low	33.6	Very low	185 Å²	185	158.5 Å²	158.5	100%	1.294	80%	0.795	S	S	*	*			cis	-140.7	0	8.1	-171.7	0	0	0	0	112.7

Retrieved 759 of 759 residues in 362.6 ms (Link to these results)

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