A0A3Q0KPK8_SCHMA Loading...

Large subunit GTPase 1 homolog AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KPK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 736 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	46.8	Very low	246 Å²	246	145.2 Å²	145.2	100%	1.212	77%	0.77	S	S	*	*				0	107.1	0	-75.1	-70.7	-161.2	0	0	109.4
2	G	40.2	Very low	47.3	Very low	81 Å²	81	142 Å²	142	84%	0.835	76%	0.76	S	S	*	*			trans	7.4	105.8	175.8	0	0	0	0	0	122.9
3	R	42.2	Very low	47.5	Very low	223 Å²	223	143.5 Å²	143.5	84%	0.842	76%	0.755	S	S	*	*			trans	-82.4	113.2	160.9	-82.7	-177.9	170.9	177.9	-1.8	110.6
4	K	46	Very low	47.7	Very low	214 Å²	214	145.1 Å²	145.1	93%	0.93	76%	0.756	S	S	*	*			trans	-83.6	105.4	165.6	-71.6	-178.2	175.9	-179.4	0	109
5	H	48.5	Very low	47.7	Very low	160 Å²	160	145.5 Å²	145.5	74%	0.741	76%	0.757	S	S	*	*			trans	-85.8	127	174.9	-83.4	-77.7	0	0	0	110.8
6	G	45.3	Very low	47.2	Very low	55 Å²	55	140.8 Å²	140.8	57%	0.567	76%	0.755	S	S	*	*			trans	-88.6	122.4	-172.5	0	0	0	0	0	113.8	G8	G6-G8 VanDerWaalsContact C-N 3.25Å
7	L	54.9	Low	46.7	Very low	153 Å²	153	137.8 Å²	137.8	80%	0.801	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-25.1	166.2	-87.8	140	0	0	0	112.6	R9	L7-R9 PolarHBondContact O-N 3.33Å
8	G	48.5	Very low	46.3	Very low	53 Å²	53	140 Å²	140	55%	0.546	75%	0.752	S	S	.	*	H	α-helix	trans	-72.8	-21.3	-176.1	0	0	0	0	0	115.8	G6 V12	G6-G8 VanDerWaalsContact C-N 3.25Å; G8-V12 WeakPolarHBondContact O-CG2 3.43Å
9	R	51.5	Low	45.9	Very low	209 Å²	209	138.9 Å²	138.9	79%	0.789	75%	0.753	S	S	*	*	H	α-helix	trans	-87.8	-20.5	179.9	-76.6	-172.5	175.8	-177.3	-1.1	113.7	L7 K13	L7-R9 PolarHBondContact O-N 3.33Å; R9-K13 PolarHBondContact O-N 3.01Å
10	S	50	Low	45.2	Very low	80 Å²	80	137.4 Å²	137.4	56%	0.559	75%	0.753	S	S	*	*	H	α-helix	trans	-79.8	-30	179.7	-57.1	0	0	0	0	112.6	H14	S10-H14 PolarHBondContact O-N 3.44Å
11	L	48.6	Very low	44.6	Very low	123 Å²	123	140.1 Å²	140.1	64%	0.644	76%	0.761	S	S	*	*	H	α-helix	trans	-74.6	-36.3	174.9	-91.6	150.5	0	0	0	112.8	H14	L11-H14 PolarHBondContact O-N 3.3Å
12	V	53.2	Low	44.3	Very low	107 Å²	107	139.6 Å²	139.6	65%	0.648	75%	0.745	S	S	*	*	H	α-helix	trans	-71.8	-30	177.1	178.9	0	0	0	0	111.8	G8 I15 G16	G8-V12 WeakPolarHBondContact O-CG2 3.43Å; V12-I15 PolarHBondContact O-N 3.27Å; V12-G16 PolarHBondContact O-N 3.5Å
13	K	49.7	Very low	44	Very low	161 Å²	161	141.8 Å²	141.8	70%	0.7	75%	0.748	S	S	*	*	H	α-helix	trans	-73.5	-24.1	174.9	-80.3	-173.8	174.6	-171.1	0	114.1	R9 S17	R9-K13 PolarHBondContact O-N 3.01Å; K13-S17 VanDerWaalsContact O-CB 3.23Å; K13-S17 WeakPolarHBondContact O-CB 3.46Å; K13-S17 PolarHBondContact O-N 2.7Å
14	H	49.6	Very low	43.4	Very low	167 Å²	167	134.5 Å²	134.5	77%	0.773	74%	0.742	S	S	*	*	H	α-helix	trans	-80.1	-20.8	174.9	-97.4	-81.1	0	0	0	113.5	S10 L11	S10-H14 PolarHBondContact O-N 3.44Å; L11-H14 PolarHBondContact O-N 3.3Å
15	I	49.1	Very low	42.6	Very low	151 Å²	151	135.8 Å²	135.8	77%	0.774	74%	0.741	S	S	*	*	H	α-helix	trans	-88.2	-24.1	176.5	-65	168.7	0	0	0	111.5	V12	V12-I15 PolarHBondContact O-N 3.27Å
16	G	39.2	Very low	41.7	Very low	69 Å²	69	137.2 Å²	137.2	71%	0.711	75%	0.748	S	S	*	*	S	Bend	trans	-105.7	7.9	-177.3	0	0	0	0	0	116.4	V12	V12-G16 PolarHBondContact O-N 3.5Å
17	S	38.5	Very low	41	Very low	90 Å²	90	141 Å²	141	63%	0.629	76%	0.759	S	S	*	*			trans	-105.2	66.2	-178.5	171.7	0	0	0	0	110.7	K13	K13-S17 VanDerWaalsContact O-CB 3.23Å; K13-S17 WeakPolarHBondContact O-CB 3.46Å; K13-S17 PolarHBondContact O-N 2.7Å
18	E	39.6	Very low	40	Very low	178 Å²	178	138.2 Å²	138.2	83%	0.832	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-67.8	132.2	153.3	-70.3	-145.9	153.6	0	0	108.2	S20	E18-S20 PolarHBondContact O-N 3.43Å
19	P	38.3	Very low	39.2	Very low	120 Å²	120	147.3 Å²	147.3	78%	0.779	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-66.1	124	179.2	5.1	5.4	0	0	0	108.9	E21	P19-E21 PolarHBondContact O-N 3.14Å
20	S	32.7	Very low	38.2	Very low	108 Å²	108	141.4 Å²	141.4	76%	0.755	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-59.3	121.7	179.3	58.4	0	0	0	0	111.1	E18 R22	E18-S20 PolarHBondContact O-N 3.43Å; S20-R22 PolarHBondContact O-N 3.36Å; S20-R22 VanDerWaalsContact O-N 3.15Å
21	E	32.9	Very low	37.6	Very low	195 Å²	195	145.7 Å²	145.7	91%	0.911	77%	0.771	S	S	*	*			trans	-56.2	113.9	170.1	-65.6	-176.8	149.4	0	0	109.7	P19	P19-E21 PolarHBondContact O-N 3.14Å
22	R	32.4	Very low	36.7	Very low	235 Å²	235	145 Å²	145	89%	0.887	77%	0.771	S	S	*	*			trans	-127.2	115	160.1	-87.1	-173.6	172.3	179.3	-2	109.9	S20	S20-R22 PolarHBondContact O-N 3.36Å; S20-R22 VanDerWaalsContact O-N 3.15Å
23	S	33.2	Very low	36.3	Very low	126 Å²	126	143.9 Å²	143.9	88%	0.881	77%	0.774	S	S	*	*	S	Bend	trans	81.3	98.8	156.4	-156.5	0	0	0	0	117.9
24	G	30.3	Very low	35.8	Very low	70 Å²	70	139.3 Å²	139.3	72%	0.722	77%	0.772	S	S	*	*	S	Bend		95.6	61.4	128.8	0	0	0	0	0	118.8
25	R	28.7	Very low	35.1	Very low	241 Å²	241	134.5 Å²	134.5	91%	0.909	75%	0.752	S	S	*	*			trans	171.9	115.7	134.8	-101	167.7	-177.3	154.9	1.7	109.2	V27	R25-V27 PolarHBondContact O-N 3.46Å
26	H	28.7	Very low	34.8	Very low	190 Å²	190	134 Å²	134	88%	0.88	74%	0.741	S	S	*	*			trans	-53.3	103.3	165.8	-89	-76.8	0	0	0	110.1	V28	H26-V28 VanDerWaalsContact C-N 3.32Å; H26-V28 PolarHBondContact O-N 3.24Å
27	V	32.6	Very low	35	Very low	134 Å²	134	135.1 Å²	135.1	81%	0.812	74%	0.738	S	S	*	*			trans	-86	88.3	158.2	-177.3	0	0	0	0	105.9	R25 R29	R25-V27 PolarHBondContact O-N 3.46Å; V27-R29 PolarHBondContact O-N 3.23Å; V27-R29 VanDerWaalsContact O-N 3.12Å
28	V	32.7	Very low	35.3	Very low	96 Å²	96	140.4 Å²	140.4	58%	0.582	74%	0.744	S	S	*	*			trans	-51	119.3	162.7	179.6	0	0	0	0	106.6	H26 T30	H26-V28 VanDerWaalsContact C-N 3.32Å; H26-V28 PolarHBondContact O-N 3.24Å; V28-T30 HydrophobicContact CB-CG2 4.13Å; V28-T30 HydrophobicContact CG1-CG2 3.5Å; V28-T30 VanDerWaalsContact CG1-CG2 3.5Å; V28-T30 PolarHBondContact O-N 3.46Å
29	R	31.7	Very low	35.8	Very low	244 Å²	244	137.7 Å²	137.7	92%	0.921	73%	0.734	S	S	*	*			trans	-59.5	80.3	161.2	-81.9	179.3	148.3	125.1	-5	107.6	V27	V27-R29 PolarHBondContact O-N 3.23Å; V27-R29 VanDerWaalsContact O-N 3.12Å
30	T	30.7	Very low	36.8	Very low	85 Å²	85	136.4 Å²	136.4	52%	0.521	73%	0.726	S	S	.	*			trans	-85.9	120.1	163.7	59.8	0	0	0	0	106.1	V28 T32	V28-T30 HydrophobicContact CB-CG2 4.13Å; V28-T30 HydrophobicContact CG1-CG2 3.5Å; V28-T30 VanDerWaalsContact CG1-CG2 3.5Å; V28-T30 PolarHBondContact O-N 3.46Å; T30-T32 PolarHBondContact O-N 3.36Å; T30-T32 PolarHBondContact O-OG1 3.46Å; T30-T32 PolarHBondContact OG1-OG1 3.47Å
31	N	37.7	Very low	38.3	Very low	170 Å²	170	132.2 Å²	132.2	91%	0.909	70%	0.696	S	S	*	*			trans	-65.5	59.6	162.2	-73.7	-19.4	0	0	0	109.2	A33	N31-A33 PolarHBondContact O-N 3.37Å
32	T	29.8	Very low	40.2	Very low	107 Å²	107	128.2 Å²	128.2	66%	0.656	68%	0.677	S	S	*	*			trans	-80.6	109.9	172.1	19.5	0	0	0	0	107.8	T30 G34	T30-T32 PolarHBondContact O-N 3.36Å; T30-T32 PolarHBondContact O-OG1 3.46Å; T30-T32 PolarHBondContact OG1-OG1 3.47Å; T32-G34 PolarHBondContact O-N 3.37Å
33	A	44.2	Very low	42.4	Very low	85 Å²	85	119.1 Å²	119.1	70%	0.702	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	28.2	-176.2	0	0	0	0	0	116.2	N31 W36	N31-A33 PolarHBondContact O-N 3.37Å; A33-W36 PolarHBondContact O-NE1 3.31Å
34	G	38.9	Very low	44.6	Very low	65 Å²	65	115.1 Å²	115.1	67%	0.67	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.1	-12.8	-167.7	0	0	0	0	0	116.7	T32	T32-G34 PolarHBondContact O-N 3.37Å
35	D	35.7	Very low	46.6	Very low	66 Å²	66	113.3 Å²	113.3	35%	0.353	60%	0.595	S	S	.	*			trans	-114.5	58.5	-173	-154.6	0.2	0	0	0	112.8	S37 R38	D35-S37 PolarHBondContact O-N 3.08Å; D35-S37 VanDerWaalsContact O-N 3.1Å; D35-S37 PolarHBondContact OD1-OG 3.46Å; D35-R38 PolarHBondContact O-N 3.36Å; D35-R38 WeakPolarHBondContact OD2-CD 3.5Å; D35-R38 IonicContact OD2-CZ 3.1Å; D35-R38 IonicContact OD2-NE 2.71Å; D35-R38 PolarHBondContact OD2-NE 2.68Å; D35-R38 IonicContact OD2-NH1 2.9Å; D35-R38 PolarHBondContact OD2-NH1 3.36Å
36	W	43.3	Very low	48.8	Very low	140 Å²	140	105.8 Å²	105.8	53%	0.53	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57	-22.5	177.2	-63.6	95	0	0	0	113.4	A33 R38	A33-W36 PolarHBondContact O-NE1 3.31Å; W36-R38 VanDerWaalsContact C-N 3.3Å; W36-R38 PolarHBondContact O-N 2.81Å
37	S	42.9	Very low	50.9	Low	93 Å²	93	98.4 Å²	98.4	65%	0.65	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.9	-179.5	13.6	0	0	0	0	115	D35	D35-S37 PolarHBondContact O-N 3.08Å; D35-S37 VanDerWaalsContact O-N 3.1Å; D35-S37 PolarHBondContact OD1-OG 3.46Å
38	R	45.3	Very low	53.1	Low	201 Å²	201	95.9 Å²	95.9	76%	0.758	52%	0.52	S	S	*	.	S	Bend	trans	-107.8	-10	-170	-70	-167	179.5	135.4	-7.4	115.4	D35 W36	D35-R38 PolarHBondContact O-N 3.36Å; D35-R38 WeakPolarHBondContact OD2-CD 3.5Å; D35-R38 IonicContact OD2-CZ 3.1Å; D35-R38 IonicContact OD2-NE 2.71Å; D35-R38 PolarHBondContact OD2-NE 2.68Å; D35-R38 IonicContact OD2-NH1 2.9Å; D35-R38 PolarHBondContact OD2-NH1 3.36Å; W36-R38 VanDerWaalsContact C-N 3.3Å; W36-R38 PolarHBondContact O-N 2.81Å
39	L	48.4	Very low	55.1	Low	121 Å²	121	94.3 Å²	94.3	63%	0.634	52%	0.524	S	S	*	.	S	Bend	trans	-79.8	135.1	175.2	-69	175.5	0	0	0	110.1	V41	L39-V41 VanDerWaalsContact C-N 3.25Å; L39-V41 PolarHBondContact O-N 3.49Å
40	P	59.2	Low	57.1	Low	93 Å²	93	88.5 Å²	88.5	60%	0.604	51%	0.511	S	S	*	.			trans	-67	85.1	173.8	-15	28.9	0	0	0	109.9	H42	P40-H42 VanDerWaalsContact CB-NE2 3.27Å; P40-H42 WeakPolarHBondContact CB-NE2 3.48Å; P40-H42 PolarHBondContact O-CD2 2.92Å; P40-H42 PolarHBondContact O-N 3.36Å
41	V	66	Low	59.5	Low	20 Å²	20	88.2 Å²	88.2	12%	0.121	51%	0.506	C	S	.	.			trans	-69.6	121.3	171.3	-166.8	0	0	0	0	106.9	L39 E153 F154 K422	L39-V41 VanDerWaalsContact C-N 3.25Å; L39-V41 PolarHBondContact O-N 3.49Å; V41-E153 HydrophobicContact CG1-CB 4.24Å; V41-E153 HydrophobicContact CG1-CG 4.05Å; V41-E153 HydrophobicContact CG2-CG 4.47Å; V41-F154 HydrophobicContact CG1-CD2 4.02Å; V41-F154 HydrophobicContact CG1-CE2 3.59Å; V41-F154 HydrophobicContact CG1-CZ 4.42Å; V41-K422 VanDerWaalsContact O-CD 3.29Å; V41-K422 WeakPolarHBondContact O-CD 3.07Å; V41-K422 VanDerWaalsContact O-CE 3.27Å; V41-K422 WeakPolarHBondContact O-CE 3.5Å; V41-K422 PolarHBondContact O-NZ 2.68Å
42	H	72.5	Confident	61.4	Low	111 Å²	111	82.8 Å²	82.8	51%	0.514	48%	0.475	S	S	.	.			trans	-115.9	136.1	177.3	-67.1	-76.1	0	0	0	108.9	P40 N151 F154	P40-H42 VanDerWaalsContact CB-NE2 3.27Å; P40-H42 WeakPolarHBondContact CB-NE2 3.48Å; P40-H42 PolarHBondContact O-CD2 2.92Å; P40-H42 PolarHBondContact O-N 3.36Å; H42-N151 PolarHBondContact O-ND2 3.44Å; H42-F154 VanDerWaalsContact C-CE2 3.49Å; H42-F154 WeakPolarHBondContact O-CE2 3.39Å
43	S	78.3	Confident	63.6	Low	44 Å²	44	82.2 Å²	82.2	31%	0.308	46%	0.464	S	S	.	.			trans	-68	133.2	169.3	169.7	0	0	0	0	107.6	E149	S43-E149 VanDerWaalsContact CA-OE2 3.27Å; S43-E149 WeakPolarHBondContact CA-OE2 3.38Å; S43-E149 WeakPolarHBondContact CB-OE2 3.38Å; S43-E149 PolarHBondContact OG-OE2 2.8Å
44	V	78.9	Confident	65.2	Low	42 Å²	42	82.7 Å²	82.7	26%	0.255	45%	0.45	S	S	.	.			trans	-128	95.2	-178.8	-168.6	0	0	0	0	108.9	E46 Q47 E149 R150	V44-E46 WeakPolarHBondContact CG1-O 3.32Å; V44-Q47 HydrophobicContact CG1-CG 3.37Å; V44-E149 PolarHBondContact N-OE1 3.48Å; V44-E149 PolarHBondContact N-OE2 2.85Å; V44-R150 PolarHBondContact O-N 2.83Å
45	T	72.6	Confident	67.1	Low	32 Å²	32	82.4 Å²	82.4	20%	0.196	43%	0.433	C	S	.	.	S	Bend	trans	-87.6	-24.8	177.7	53.6	0	0	0	0	112.5	P147 V442	T45-P147 WeakPolarHBondContact O-CB 3.12Å; T45-V442 HydrophobicContact CG2-CG2 4.14Å
46	E	73.8	Confident	69.2	Low	82 Å²	82	81.4 Å²	81.4	38%	0.383	43%	0.427	S	S	.	.			trans	-136.7	140	-179.2	-60.1	-171	170.6	0	0	110.5	V44 P147 R450	V44-E46 WeakPolarHBondContact CG1-O 3.32Å; E46-P147 HydrophobicContact CG-CB 4.15Å; E46-R450 IonicContact OE1-CZ 2.85Å; E46-R450 IonicContact OE1-NH1 3Å; E46-R450 PolarHBondContact OE1-NH1 2.89Å; E46-R450 IonicContact OE1-NH2 3.47Å; E46-R450 PolarHBondContact OE1-NH2 2.73Å; E46-R450 IonicContact OE2-CZ 3.61Å; E46-R450 IonicContact OE2-NH1 3.07Å; E46-R450 IonicContact OE2-NH2 3.56Å; E46-R450 PolarHBondContact OE2-NH2 3.22Å
47	Q	73.6	Confident	71	Confident	36 Å²	36	75.8 Å²	75.8	17%	0.168	41%	0.41	C	S	.	.			trans	-135.4	149.2	177.7	-63.5	-177.8	-8.3	0	0	109.3	V44 D51 E52 N55	V44-Q47 HydrophobicContact CG1-CG 3.37Å; Q47-D51 HydrophobicContact CB-CB 4.12Å; Q47-E52 HydrophobicContact CB-CB 4.21Å; Q47-E52 VanDerWaalsContact OE1-CA 3.31Å; Q47-N55 PolarHBondContact NE2-ND2 3.31Å; Q47-N55 PolarHBondContact OE1-ND2 3.31Å
48	T	78.1	Confident	72.8	Confident	80 Å²	80	76.6 Å²	76.6	49%	0.491	41%	0.408	S	S	.	.			trans	-68	156.3	166.6	70.4	0	0	0	0	109.3	L50 D51 E52	T48-L50 PolarHBondContact O-N 3Å; T48-L50 VanDerWaalsContact O-N 3.1Å; T48-D51 PolarHBondContact O-N 3.04Å; T48-D51 VanDerWaalsContact O-N 3.1Å; T48-D51 PolarHBondContact OG1-N 3.31Å; T48-D51 PolarHBondContact OG1-OD2 2.83Å; T48-E52 WeakPolarHBondContact O-CB 3.5Å; T48-E52 PolarHBondContact O-N 3.16Å
49	G	74.8	Confident	74.5	Confident	64 Å²	64	68.3 Å²	68.3	66%	0.66	38%	0.378	S	S	*	.	H	α-helix	trans	-56.8	-28.9	179.7	0	0	0	0	0	113.6	F53	G49-F53 WeakPolarHBondContact O-CB 3.4Å; G49-F53 PolarHBondContact O-N 3.27Å; G49-F53 VanDerWaalsContact O-N 3.17Å
50	L	75.4	Confident	75.8	Confident	122 Å²	122	64.1 Å²	64.1	64%	0.639	36%	0.361	S	S	*	.	H	α-helix	trans	-74.4	-48	174.2	-70.2	177	0	0	0	112.2	T48 E52 F53 F54	T48-L50 PolarHBondContact O-N 3Å; T48-L50 VanDerWaalsContact O-N 3.1Å; L50-E52 PolarHBondContact O-N 3.3Å; L50-F53 WeakPolarHBondContact O-CB 3.48Å; L50-F53 PolarHBondContact O-N 3.46Å; L50-F53 VanDerWaalsContact O-N 3.1Å; L50-F54 HydrophobicContact CB-CE2 4.42Å; L50-F54 WeakPolarHBondContact O-CD2 3.41Å; L50-F54 PolarHBondContact O-N 2.73Å
51	D	80	Confident	76.5	Confident	79 Å²	79	64.6 Å²	64.6	42%	0.422	36%	0.359	S	S	.	.	H	α-helix	trans	-60.1	-39.5	177.7	-62.1	-37.8	0	0	0	111	Q47 T48 F54 N55	Q47-D51 HydrophobicContact CB-CB 4.12Å; T48-D51 PolarHBondContact O-N 3.04Å; T48-D51 VanDerWaalsContact O-N 3.1Å; T48-D51 PolarHBondContact OG1-N 3.31Å; T48-D51 PolarHBondContact OG1-OD2 2.83Å; D51-F54 PolarHBondContact O-N 3.45Å; D51-N55 WeakPolarHBondContact O-CB 3.4Å; D51-N55 PolarHBondContact O-N 2.9Å; D51-N55 PolarHBondContact O-ND2 3.27Å
52	E	78.2	Confident	76.6	Confident	55 Å²	55	70.5 Å²	70.5	26%	0.257	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-44.8	174.4	175.6	147.8	-150	0	0	111.9	Q47 T48 L50 N55 I56 R131 R150	Q47-E52 HydrophobicContact CB-CB 4.21Å; Q47-E52 VanDerWaalsContact OE1-CA 3.31Å; T48-E52 WeakPolarHBondContact O-CB 3.5Å; T48-E52 PolarHBondContact O-N 3.16Å; L50-E52 PolarHBondContact O-N 3.3Å; E52-N55 PolarHBondContact O-N 3.23Å; E52-I56 HydrophobicContact CG-CD1 3.67Å; E52-I56 HydrophobicContact CG-CG1 4.42Å; E52-I56 WeakPolarHBondContact O-CB 3.48Å; E52-I56 WeakPolarHBondContact O-CD1 3.45Å; E52-I56 WeakPolarHBondContact O-CG1 3.44Å; E52-I56 PolarHBondContact O-N 3.42Å; E52-R131 IonicContact OE1-NH2 3.51Å; E52-R131 PolarHBondContact OE1-NH2 3.49Å; E52-R150 IonicContact OE1-CZ 3.83Å; E52-R150 IonicContact OE1-NH1 2.69Å; E52-R150 IonicContact OE2-CZ 3.39Å; E52-R150 IonicContact OE2-NH1 2.95Å; E52-R150 PolarHBondContact OE2-NH1 2.76Å; E52-R150 IonicContact OE2-NH2 3.3Å
53	F	75	Confident	75.9	Confident	96 Å²	96	73.8 Å²	73.8	42%	0.421	40%	0.4	S	S	.	.	H	α-helix	trans	-59.2	-47.7	175.2	178.6	-92.7	0	0	0	111.9	G49 L50 I56 A57 F64	G49-F53 WeakPolarHBondContact O-CB 3.4Å; G49-F53 PolarHBondContact O-N 3.27Å; G49-F53 VanDerWaalsContact O-N 3.17Å; L50-F53 WeakPolarHBondContact O-CB 3.48Å; L50-F53 PolarHBondContact O-N 3.46Å; L50-F53 VanDerWaalsContact O-N 3.1Å; F53-I56 PolarHBondContact O-N 3.04Å; F53-A57 WeakPolarHBondContact O-CB 3.28Å; F53-A57 PolarHBondContact O-N 2.82Å; F53-F64 HydrophobicContact CD1-CZ 4.42Å; F53-F64 AromaticContact CE1-CE1 3.65Å; F53-F64 HydrophobicContact CE1-CE1 3.65Å; F53-F64 HydrophobicContact CE1-CE2 4.35Å; F53-F64 AromaticContact CE1-CZ 3.55Å; F53-F64 HydrophobicContact CE1-CZ 3.55Å; F53-F64 HydrophobicContact CZ-CE1 4.14Å; F53-F64 HydrophobicContact CZ-CZ 4.42Å
54	F	77.4	Confident	74.8	Confident	95 Å²	95	78.6 Å²	78.6	42%	0.417	42%	0.416	S	S	.	.	H	α-helix	trans	-63.2	-42.5	177.8	-72.8	-64.3	0	0	0	112.4	L50 D51 I56 A57 N58 F64	L50-F54 HydrophobicContact CB-CE2 4.42Å; L50-F54 WeakPolarHBondContact O-CD2 3.41Å; L50-F54 PolarHBondContact O-N 2.73Å; D51-F54 PolarHBondContact O-N 3.45Å; F54-I56 PolarHBondContact O-N 3.13Å; F54-A57 PolarHBondContact O-N 3.36Å; F54-N58 WeakPolarHBondContact O-CB 3.2Å; F54-N58 PolarHBondContact O-N 3.17Å; F54-N58 PolarHBondContact O-ND2 3.5Å; F54-F64 HydrophobicContact CD1-CE2 4.42Å; F54-F64 HydrophobicContact CD1-CZ 4.41Å; F54-F64 HydrophobicContact CE1-CE2 4.07Å; F54-F64 AromaticContact CE1-CZ 3.81Å; F54-F64 HydrophobicContact CE1-CZ 3.81Å
55	N	79.8	Confident	73.6	Confident	58 Å²	58	85.9 Å²	85.9	31%	0.31	44%	0.444	S	S	.	.	H	α-helix	trans	-65.7	-39.6	179	-72.8	-37.3	0	0	0	112.3	Q47 D51 E52 L59	Q47-N55 PolarHBondContact NE2-ND2 3.31Å; Q47-N55 PolarHBondContact OE1-ND2 3.31Å; D51-N55 WeakPolarHBondContact O-CB 3.4Å; D51-N55 PolarHBondContact O-N 2.9Å; D51-N55 PolarHBondContact O-ND2 3.27Å; E52-N55 PolarHBondContact O-N 3.23Å; N55-L59 WeakPolarHBondContact O-CB 3.46Å; N55-L59 VanDerWaalsContact O-CG 3.28Å; N55-L59 WeakPolarHBondContact O-CG 3.44Å; N55-L59 PolarHBondContact O-N 3.27Å
56	I	80.5	Confident	72.4	Confident	46 Å²	46	88.9 Å²	88.9	24%	0.236	47%	0.472	C	S	.	.	H	α-helix	trans	-65.5	-42.5	175.2	-68	166.5	0	0	0	110.5	E52 F53 F54 L59 A60 L128	E52-I56 HydrophobicContact CG-CD1 3.67Å; E52-I56 HydrophobicContact CG-CG1 4.42Å; E52-I56 WeakPolarHBondContact O-CB 3.48Å; E52-I56 WeakPolarHBondContact O-CD1 3.45Å; E52-I56 WeakPolarHBondContact O-CG1 3.44Å; E52-I56 PolarHBondContact O-N 3.42Å; F53-I56 PolarHBondContact O-N 3.04Å; F54-I56 PolarHBondContact O-N 3.13Å; I56-L59 PolarHBondContact O-N 3.43Å; I56-A60 WeakPolarHBondContact O-CB 3.34Å; I56-A60 PolarHBondContact O-N 3.5Å; I56-L128 HydrophobicContact CG2-CD2 4.26Å
57	A	79.7	Confident	71.3	Confident	21 Å²	21	93 Å²	93	17%	0.174	49%	0.491	C	S	.	.	H	α-helix	trans	-62.3	-44.7	177.3	0	0	0	0	0	111.9	F53 F54 A60 N61 H62	F53-A57 WeakPolarHBondContact O-CB 3.28Å; F53-A57 PolarHBondContact O-N 2.82Å; F54-A57 PolarHBondContact O-N 3.36Å; A57-A60 PolarHBondContact O-N 3.26Å; A57-N61 PolarHBondContact O-N 3.46Å; A57-H62 PolarHBondContact O-N 3.16Å
58	N	81.4	Confident	70.1	Confident	111 Å²	111	101 Å²	101	59%	0.594	53%	0.526	S	S	*	.	H	α-helix	trans	-62.2	-43.2	176.8	-71	-17.6	0	0	0	112.1	F54 A60 N61	F54-N58 WeakPolarHBondContact O-CB 3.2Å; F54-N58 PolarHBondContact O-N 3.17Å; F54-N58 PolarHBondContact O-ND2 3.5Å; N58-A60 VanDerWaalsContact C-N 3.28Å; N58-A60 PolarHBondContact O-N 3.14Å; N58-N61 PolarHBondContact O-N 3.38Å; N58-N61 PolarHBondContact O-OD1 2.8Å
59	L	80.1	Confident	68.8	Low	27 Å²	27	104 Å²	104	14%	0.141	53%	0.532	C	S	.	.	H	α-helix	trans	-64.4	-33.9	176.2	-76	168.6	0	0	0	112.4	N55 I56 N61 K124 F127 L128 L152	N55-L59 WeakPolarHBondContact O-CB 3.46Å; N55-L59 VanDerWaalsContact O-CG 3.28Å; N55-L59 WeakPolarHBondContact O-CG 3.44Å; N55-L59 PolarHBondContact O-N 3.27Å; I56-L59 PolarHBondContact O-N 3.43Å; L59-N61 VanDerWaalsContact C-N 3.25Å; L59-N61 PolarHBondContact O-N 2.85Å; L59-K124 HydrophobicContact CD2-CG 4.17Å; L59-F127 HydrophobicContact CD1-CD1 3.89Å; L59-F127 HydrophobicContact CD1-CE1 3.87Å; L59-F127 HydrophobicContact CD2-CD1 4.37Å; L59-L128 HydrophobicContact CB-CD1 4.07Å; L59-L128 HydrophobicContact CB-CD2 3.75Å; L59-L128 HydrophobicContact CB-CG 3.97Å; L59-L128 HydrophobicContact CD1-CD2 4.07Å; L59-L152 HydrophobicContact CD2-CD2 4.39Å
60	A	77.4	Confident	67.5	Low	33 Å²	33	109 Å²	109	27%	0.273	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	0.3	-179	0	0	0	0	0	113.4	I56 A57 N58 H62 L128	I56-A60 WeakPolarHBondContact O-CB 3.34Å; I56-A60 PolarHBondContact O-N 3.5Å; A57-A60 PolarHBondContact O-N 3.26Å; N58-A60 VanDerWaalsContact C-N 3.28Å; N58-A60 PolarHBondContact O-N 3.14Å; A60-H62 HydrophobicContact CB-CB 4.36Å; A60-H62 PolarHBondContact O-CD2 2.87Å; A60-H62 PolarHBondContact O-N 3.01Å; A60-L128 HydrophobicContact CB-CD1 3.89Å
61	N	73.8	Confident	66.3	Low	103 Å²	103	110.3 Å²	110.3	55%	0.551	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	30.7	-173.9	-61.7	-33.3	0	0	0	112.9	A57 N58 L59 N121	A57-N61 PolarHBondContact O-N 3.46Å; N58-N61 PolarHBondContact O-N 3.38Å; N58-N61 PolarHBondContact O-OD1 2.8Å; L59-N61 VanDerWaalsContact C-N 3.25Å; L59-N61 PolarHBondContact O-N 2.85Å; N61-N121 PolarHBondContact ND2-OD1 2.64Å; N61-N121 VanDerWaalsContact ND2-OD1 3.16Å
62	H	66.5	Low	64.7	Low	144 Å²	144	114.3 Å²	114.3	67%	0.667	56%	0.558	S	S	*	*			trans	-100.2	120.8	-175.2	-102.1	-72.1	0	0	0	110.7	A57 A60	A57-H62 PolarHBondContact O-N 3.16Å; A60-H62 HydrophobicContact CB-CB 4.36Å; A60-H62 PolarHBondContact O-CD2 2.87Å; A60-H62 PolarHBondContact O-N 3.01Å
63	E	58.9	Low	63.2	Low	180 Å²	180	119.5 Å²	119.5	84%	0.841	59%	0.587	S	S	*	*			trans	-70.6	138.5	163.8	-67.7	-177.4	165.5	0	0	109.9	K65	E63-K65 PolarHBondContact O-N 3.33Å
64	F	54.9	Low	61.7	Low	145 Å²	145	119.2 Å²	119.2	64%	0.636	59%	0.589	S	S	*	*			trans	-43.3	100	-172.1	-96.3	-105.3	0	0	0	114.4	F53 F54	F53-F64 HydrophobicContact CD1-CZ 4.42Å; F53-F64 AromaticContact CE1-CE1 3.65Å; F53-F64 HydrophobicContact CE1-CE1 3.65Å; F53-F64 HydrophobicContact CE1-CE2 4.35Å; F53-F64 AromaticContact CE1-CZ 3.55Å; F53-F64 HydrophobicContact CE1-CZ 3.55Å; F53-F64 HydrophobicContact CZ-CE1 4.14Å; F53-F64 HydrophobicContact CZ-CZ 4.42Å; F54-F64 HydrophobicContact CD1-CE2 4.42Å; F54-F64 HydrophobicContact CD1-CZ 4.41Å; F54-F64 HydrophobicContact CE1-CE2 4.07Å; F54-F64 AromaticContact CE1-CZ 3.81Å; F54-F64 HydrophobicContact CE1-CZ 3.81Å
65	K	53.3	Low	59.8	Low	195 Å²	195	116.6 Å²	116.6	85%	0.848	59%	0.585	S	S	*	*			trans	-119.8	108.9	153.9	-75.1	-174.6	178.6	177.5	0	107.6	E63 Q67	E63-K65 PolarHBondContact O-N 3.33Å; K65-Q67 PolarHBondContact O-N 2.75Å
66	A	47.9	Very low	58	Low	95 Å²	95	118.4 Å²	118.4	79%	0.785	60%	0.601	S	S	*	*			trans	-61.7	102.5	-168.7	0	0	0	0	0	112.9
67	Q	50.5	Low	56.1	Low	167 Å²	167	121.2 Å²	121.2	78%	0.78	62%	0.624	S	S	*	*			trans	-86.4	107.2	156.7	-76.2	-174.8	-9.7	0	0	108	K65 K69	K65-Q67 PolarHBondContact O-N 2.75Å; Q67-K69 PolarHBondContact O-N 3.21Å
68	K	48.4	Very low	54.6	Low	206 Å²	206	126 Å²	126	90%	0.896	64%	0.643	S	S	*	*			trans	-64.6	102.8	168.4	-78.1	-177.9	175.2	179.9	0	108.1
69	K	51.6	Low	53.2	Low	142 Å²	142	125.4 Å²	125.4	62%	0.617	64%	0.639	S	S	*	*			trans	-74.7	142.9	162.9	-71.8	-173.5	-179.3	-176.4	0	108.9	Q67 I71	Q67-K69 PolarHBondContact O-N 3.21Å; K69-I71 PolarHBondContact O-N 2.96Å
70	N	46.2	Very low	51.7	Low	170 Å²	170	130.3 Å²	130.3	91%	0.909	66%	0.663	S	S	*	*			trans	-67.8	99	171.6	-81.1	-20.2	0	0	0	108.7	R72	N70-R72 PolarHBondContact O-N 3.39Å
71	I	51.7	Low	50.6	Low	148 Å²	148	131.6 Å²	131.6	76%	0.759	68%	0.679	S	S	*	*			trans	-78.5	110.1	172.2	-58.7	167.3	0	0	0	106.8	K69 L73	K69-I71 PolarHBondContact O-N 2.96Å; I71-L73 PolarHBondContact O-N 3.36Å
72	R	45.5	Very low	49.9	Very low	163 Å²	163	130.8 Å²	130.8	62%	0.615	67%	0.673	S	S	*	*			trans	-82.2	110.6	165.1	-168.6	176	177.9	-169.3	-4.4	107.3	N70 L74 D141	N70-R72 PolarHBondContact O-N 3.39Å; R72-L74 PolarHBondContact O-N 2.91Å; R72-L74 VanDerWaalsContact O-N 3.14Å; R72-D141 IonicContact NH1-OD1 3.86Å; R72-D141 PolarHBondContact NH1-OD1 3.27Å
73	L	45.9	Very low	49.8	Very low	164 Å²	164	125.2 Å²	125.2	86%	0.859	65%	0.65	S	S	*	*			trans	-72.4	99.4	168	-90.7	147.2	0	0	0	107.5	I71	I71-L73 PolarHBondContact O-N 3.36Å
74	L	44.6	Very low	50.3	Low	90 Å²	90	118.9 Å²	118.9	47%	0.471	63%	0.626	S	S	.	*			trans	-64.1	133.4	170.6	-66.6	172.4	0	0	0	108.8	R72 E78 I79	R72-L74 PolarHBondContact O-N 2.91Å; R72-L74 VanDerWaalsContact O-N 3.14Å; L74-E78 WeakPolarHBondContact CD2-OE2 3.25Å; L74-I79 HydrophobicContact CB-CD1 3.82Å; L74-I79 HydrophobicContact CB-CG1 3.98Å
75	A	36.8	Very low	51.1	Low	40 Å²	40	117 Å²	117	33%	0.331	63%	0.631	S	S	.	*			trans	-68.2	145.5	179	0	0	0	0	0	109.6	S77 E78 I79	A75-S77 PolarHBondContact O-N 2.76Å; A75-E78 PolarHBondContact N-OE2 2.7Å; A75-E78 WeakPolarHBondContact O-CB 3.41Å; A75-E78 PolarHBondContact O-N 2.98Å; A75-I79 PolarHBondContact O-N 3.06Å
76	P	42.7	Very low	52.1	Low	97 Å²	97	110.9 Å²	110.9	63%	0.63	61%	0.612	S	S	*	*	H	α-helix	trans	-53	-26.5	176.2	-25.6	33.3	0	0	0	113.6	I79 M80	P76-I79 PolarHBondContact O-N 2.96Å; P76-M80 WeakPolarHBondContact O-CB 3.35Å; P76-M80 PolarHBondContact O-N 2.92Å
77	S	40.2	Very low	53.3	Low	105 Å²	105	109.3 Å²	109.3	73%	0.734	59%	0.591	S	S	*	*	H	α-helix	trans	-69.1	-27.5	175.5	-5.8	0	0	0	0	114.1	A75	A75-S77 PolarHBondContact O-N 2.76Å
78	E	47.3	Very low	54.3	Low	122 Å²	122	103.2 Å²	103.2	57%	0.57	57%	0.566	S	S	*	*	H	α-helix	trans	-82.4	-20	174.3	-68	173.9	156.3	0	0	111.6	L74 A75	L74-E78 WeakPolarHBondContact CD2-OE2 3.25Å; A75-E78 PolarHBondContact N-OE2 2.7Å; A75-E78 WeakPolarHBondContact O-CB 3.41Å; A75-E78 PolarHBondContact O-N 2.98Å
79	I	52.7	Low	55.7	Low	97 Å²	97	96.7 Å²	96.7	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-97	-19.8	-172.1	-59.9	168.9	0	0	0	112	L74 A75 P76	L74-I79 HydrophobicContact CB-CD1 3.82Å; L74-I79 HydrophobicContact CB-CG1 3.98Å; A75-I79 PolarHBondContact O-N 3.06Å; P76-I79 PolarHBondContact O-N 2.96Å
80	M	49.1	Very low	56.9	Low	131 Å²	131	96 Å²	96	65%	0.645	54%	0.544	S	S	*	.	S	Bend	trans	-141.8	71.8	-160.9	-140.1	143.5	60	0	0	112.3	P76	P76-M80 WeakPolarHBondContact O-CB 3.35Å; P76-M80 PolarHBondContact O-N 2.92Å
81	G	53.3	Low	58.4	Low	59 Å²	59	89.3 Å²	89.3	61%	0.608	51%	0.507	S	S	*	.			trans	-146.4	141.4	165.6	0	0	0	0	0	109.5	P83	G81-P83 WeakPolarHBondContact O-CD 3.18Å
82	I	60.7	Low	59.6	Low	86 Å²	86	84.2 Å²	84.2	44%	0.441	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-69	120.2	166.7	-60.1	171.4	0	0	0	105.5	S84 A469 L473	I82-S84 PolarHBondContact O-N 3.29Å; I82-A469 HydrophobicContact CG1-CB 4.41Å; I82-L473 HydrophobicContact CG2-CD2 4.47Å
83	P	64.4	Low	61.3	Low	27 Å²	27	82.6 Å²	82.6	18%	0.175	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-58.9	140.5	-178.4	21.4	-30.2	0	0	0	110.2	G81 D87 I91	G81-P83 WeakPolarHBondContact O-CD 3.18Å; P83-D87 HydrophobicContact CB-CB 3.92Å; P83-I91 HydrophobicContact CB-CD1 3.95Å; P83-I91 HydrophobicContact CG-CD1 4.43Å
84	S	69	Low	62.9	Low	48 Å²	48	76.7 Å²	76.7	34%	0.336	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-65.7	161.6	172.7	70.8	0	0	0	0	110.2	I82 S86 D87 C88	I82-S84 PolarHBondContact O-N 3.29Å; S84-S86 PolarHBondContact O-N 3.04Å; S84-S86 PolarHBondContact OG-OG 3.45Å; S84-D87 WeakPolarHBondContact CB-OD2 3.49Å; S84-D87 PolarHBondContact N-OD2 2.75Å; S84-D87 WeakPolarHBondContact O-CA 3.49Å; S84-D87 WeakPolarHBondContact O-CB 2.97Å; S84-D87 PolarHBondContact O-N 3.37Å; S84-D87 PolarHBondContact OG-N 3.47Å; S84-D87 PolarHBondContact OG-OD2 3.24Å; S84-C88 PolarHBondContact O-N 3.02Å; S84-C88 PolarHBondContact O-SG 3.4Å; S84-C88 VanDerWaalsContact O-SG 3.35Å
85	S	71.7	Confident	64.7	Low	105 Å²	105	73.3 Å²	73.3	73%	0.734	44%	0.437	S	S	*	.	H	α-helix	trans	-56.4	-34.7	177.6	55.2	0	0	0	0	113.1	S89	S85-S89 PolarHBondContact O-N 3.2Å; S85-S89 PolarHBondContact O-OG 2.96Å
86	S	74.2	Confident	66.8	Low	66 Å²	66	77.2 Å²	77.2	46%	0.462	45%	0.451	S	S	.	.	H	α-helix	trans	-67.9	-36.2	172.8	43.9	0	0	0	0	113.2	S84 S89 K90	S84-S86 PolarHBondContact O-N 3.04Å; S84-S86 PolarHBondContact OG-OG 3.45Å; S86-S89 PolarHBondContact O-N 3.5Å; S86-K90 PolarHBondContact O-N 3.1Å
87	D	72.8	Confident	68.7	Low	63 Å²	63	79.7 Å²	79.7	34%	0.337	46%	0.456	S	S	.	.	H	α-helix	trans	-71.6	-39.6	177	-58.8	-37.4	0	0	0	110.5	P83 S84 S89 K90 I91	P83-D87 HydrophobicContact CB-CB 3.92Å; S84-D87 WeakPolarHBondContact CB-OD2 3.49Å; S84-D87 PolarHBondContact N-OD2 2.75Å; S84-D87 WeakPolarHBondContact O-CA 3.49Å; S84-D87 WeakPolarHBondContact O-CB 2.97Å; S84-D87 PolarHBondContact O-N 3.37Å; S84-D87 PolarHBondContact OG-N 3.47Å; S84-D87 PolarHBondContact OG-OD2 3.24Å; D87-S89 PolarHBondContact O-N 3Å; D87-K90 PolarHBondContact O-N 3.03Å; D87-I91 HydrophobicContact CB-CD1 4.32Å; D87-I91 VanDerWaalsContact O-CB 3.31Å; D87-I91 WeakPolarHBondContact O-CB 3.26Å; D87-I91 WeakPolarHBondContact O-CD1 3.46Å; D87-I91 WeakPolarHBondContact O-CG1 3.33Å; D87-I91 PolarHBondContact O-N 3.04Å
88	C	72.2	Confident	70.7	Confident	38 Å²	38	78.1 Å²	78.1	26%	0.257	43%	0.434	S	S	.	.	H	α-helix	trans	-55.2	-38.4	174.4	-67.4	0	0	0	0	112.3	S84 S92 Y448	S84-C88 PolarHBondContact O-N 3.02Å; S84-C88 PolarHBondContact O-SG 3.4Å; S84-C88 VanDerWaalsContact O-SG 3.35Å; C88-S92 VanDerWaalsContact O-CB 3.3Å; C88-S92 WeakPolarHBondContact O-CB 3.25Å; C88-S92 PolarHBondContact O-N 3.34Å; C88-Y448 HydrophobicContact CB-CE1 4.32Å
89	S	76.5	Confident	72.3	Confident	70 Å²	70	78 Å²	78	49%	0.49	43%	0.432	S	S	.	.	H	α-helix	trans	-67.3	-47.7	178.4	-57.4	0	0	0	0	111.6	S85 S86 D87 I91 S92 E93	S85-S89 PolarHBondContact O-N 3.2Å; S85-S89 PolarHBondContact O-OG 2.96Å; S86-S89 PolarHBondContact O-N 3.5Å; D87-S89 PolarHBondContact O-N 3Å; S89-I91 VanDerWaalsContact C-N 3.34Å; S89-I91 PolarHBondContact O-N 3.2Å; S89-S92 WeakPolarHBondContact O-CB 3.47Å; S89-S92 PolarHBondContact O-N 3.32Å; S89-E93 PolarHBondContact O-N 3.28Å
90	K	77.9	Confident	73.7	Confident	128 Å²	128	78.4 Å²	78.4	56%	0.557	44%	0.435	S	S	*	.	H	α-helix	trans	-60.6	-44.1	175.5	-65.4	172.8	-174.6	167.7	0	111.7	S86 D87 S92 E93 V94	S86-K90 PolarHBondContact O-N 3.1Å; D87-K90 PolarHBondContact O-N 3.03Å; K90-S92 VanDerWaalsContact C-N 3.3Å; K90-S92 PolarHBondContact O-N 2.96Å; K90-E93 PolarHBondContact O-N 3.33Å; K90-V94 WeakPolarHBondContact O-CG2 3.37Å; K90-V94 PolarHBondContact O-N 3.38Å; K90-V94 VanDerWaalsContact O-N 3.09Å
91	I	77.5	Confident	75.3	Confident	28 Å²	28	75.9 Å²	75.9	14%	0.144	42%	0.424	C	S	.	.	H	α-helix	trans	-61.2	-42.3	177.1	-69.9	165.9	0	0	0	109.9	P83 D87 S89 E93 V94 H95 Y448	P83-I91 HydrophobicContact CB-CD1 3.95Å; P83-I91 HydrophobicContact CG-CD1 4.43Å; D87-I91 HydrophobicContact CB-CD1 4.32Å; D87-I91 VanDerWaalsContact O-CB 3.31Å; D87-I91 WeakPolarHBondContact O-CB 3.26Å; D87-I91 WeakPolarHBondContact O-CD1 3.46Å; D87-I91 WeakPolarHBondContact O-CG1 3.33Å; D87-I91 PolarHBondContact O-N 3.04Å; S89-I91 VanDerWaalsContact C-N 3.34Å; S89-I91 PolarHBondContact O-N 3.2Å; I91-E93 PolarHBondContact O-N 2.98Å; I91-V94 PolarHBondContact O-N 2.62Å; I91-H95 WeakPolarHBondContact CG2-CE1 3.34Å; I91-H95 WeakPolarHBondContact CG2-NE2 3.47Å; I91-H95 PolarHBondContact O-CD2 3.11Å; I91-H95 PolarHBondContact O-N 3.25Å; I91-Y448 HydrophobicContact CB-CD1 4.26Å; I91-Y448 HydrophobicContact CB-CE1 4.28Å; I91-Y448 HydrophobicContact CG2-CD1 3.64Å; I91-Y448 HydrophobicContact CG2-CE1 3.81Å
92	S	77.5	Confident	76.7	Confident	41 Å²	41	74.1 Å²	74.1	29%	0.287	40%	0.4	S	S	.	.	H	α-helix	trans	-62.9	-39.9	176.8	-174.7	0	0	0	0	112.8	C88 S89 K90 H95 I96	C88-S92 VanDerWaalsContact O-CB 3.3Å; C88-S92 WeakPolarHBondContact O-CB 3.25Å; C88-S92 PolarHBondContact O-N 3.34Å; S89-S92 WeakPolarHBondContact O-CB 3.47Å; S89-S92 PolarHBondContact O-N 3.32Å; K90-S92 VanDerWaalsContact C-N 3.3Å; K90-S92 PolarHBondContact O-N 2.96Å; S92-H95 WeakPolarHBondContact O-CB 3.5Å; S92-H95 PolarHBondContact O-N 3.19Å; S92-I96 WeakPolarHBondContact O-CG1 3.42Å; S92-I96 PolarHBondContact O-N 2.97Å
93	E	81.1	Confident	78	Confident	130 Å²	130	75.2 Å²	75.2	61%	0.607	40%	0.402	S	S	*	.	H	α-helix	trans	-61.5	-45.8	174.2	-70.1	172.1	-170.4	0	0	111.2	S89 K90 I91 H95 I96 M97	S89-E93 PolarHBondContact O-N 3.28Å; K90-E93 PolarHBondContact O-N 3.33Å; I91-E93 PolarHBondContact O-N 2.98Å; E93-H95 VanDerWaalsContact C-N 3.3Å; E93-H95 PolarHBondContact O-N 3.43Å; E93-I96 PolarHBondContact O-N 3.15Å; E93-M97 VanDerWaalsContact O-CG 3.28Å; E93-M97 WeakPolarHBondContact O-CG 3.47Å; E93-M97 PolarHBondContact O-N 2.86Å
94	V	79.1	Confident	79.3	Confident	40 Å²	40	74.2 Å²	74.2	24%	0.242	40%	0.395	C	S	.	.	H	α-helix	trans	-61.2	-40.3	176.1	175.8	0	0	0	0	111.1	K90 I91 I96 M97 Y98 I143	K90-V94 WeakPolarHBondContact O-CG2 3.37Å; K90-V94 PolarHBondContact O-N 3.38Å; K90-V94 VanDerWaalsContact O-N 3.09Å; I91-V94 PolarHBondContact O-N 2.62Å; V94-I96 PolarHBondContact O-N 2.62Å; V94-M97 PolarHBondContact O-N 3.07Å; V94-Y98 HydrophobicContact CG1-CD2 3.73Å; V94-Y98 HydrophobicContact CG1-CE2 3.92Å; V94-Y98 VanDerWaalsContact O-CD2 3.32Å; V94-Y98 WeakPolarHBondContact O-CD2 2.99Å; V94-Y98 PolarHBondContact O-N 3.41Å; V94-Y98 VanDerWaalsContact O-N 3.12Å; V94-I143 HydrophobicContact CG1-CD1 3.79Å; V94-I143 HydrophobicContact CG1-CG1 3.45Å; V94-I143 VanDerWaalsContact CG1-CG1 3.45Å
95	H	82	Confident	80.5	Confident	18 Å²	18	72 Å²	72	8%	0.083	38%	0.379	C	S	.	.	H	α-helix	trans	-61.9	-42	175.7	-66.9	173.8	0	0	0	112.2	I91 S92 E93 K99 F446	I91-H95 WeakPolarHBondContact CG2-CE1 3.34Å; I91-H95 WeakPolarHBondContact CG2-NE2 3.47Å; I91-H95 PolarHBondContact O-CD2 3.11Å; I91-H95 PolarHBondContact O-N 3.25Å; S92-H95 WeakPolarHBondContact O-CB 3.5Å; S92-H95 PolarHBondContact O-N 3.19Å; E93-H95 VanDerWaalsContact C-N 3.3Å; E93-H95 PolarHBondContact O-N 3.43Å; H95-K99 PolarHBondContact O-N 3.35Å; H95-K99 VanDerWaalsContact O-N 3.08Å; H95-F446 HydrophobicContact CB-CB 4.2Å; H95-F446 HydrophobicContact CB-CD2 3.65Å; H95-F446 HydrophobicContact CB-CE2 4.24Å; H95-F446 HydrophobicContact CB-CG 4.02Å; H95-F446 AromaticContact CD2-CD1 3.76Å; H95-F446 AromaticContact CD2-CG 3.51Å; H95-F446 AromaticContact CG-CD2 3.88Å; H95-F446 AromaticContact CG-CG 3.7Å; H95-F446 AromaticContact NE2-CG 3.98Å; H95-F446 WeakPolarHBondContact O-CE2 3.5Å
96	I	81.7	Confident	81.6	Confident	122 Å²	122	69.4 Å²	69.4	63%	0.626	35%	0.353	S	S	*	.	H	α-helix	trans	-64.6	-44.9	177.4	-67.3	163.6	0	0	0	109.9	S92 E93 V94 Y98 K99	S92-I96 WeakPolarHBondContact O-CG1 3.42Å; S92-I96 PolarHBondContact O-N 2.97Å; E93-I96 PolarHBondContact O-N 3.15Å; V94-I96 PolarHBondContact O-N 2.62Å; I96-Y98 VanDerWaalsContact C-N 3.29Å; I96-Y98 PolarHBondContact O-N 3.34Å; I96-K99 PolarHBondContact O-N 3.36Å
97	M	83	Confident	82.6	Confident	150 Å²	150	68.3 Å²	68.3	74%	0.739	34%	0.339	S	S	*	.	H	α-helix	trans	-60.5	-35.6	-179	-71.8	-72.5	-77.2	0	0	113.4	E93 V94	E93-M97 VanDerWaalsContact O-CG 3.28Å; E93-M97 WeakPolarHBondContact O-CG 3.47Å; E93-M97 PolarHBondContact O-N 2.86Å; V94-M97 PolarHBondContact O-N 3.07Å
98	Y	81.3	Confident	83.5	Confident	71 Å²	71	66.3 Å²	66.3	28%	0.278	33%	0.329	S	S	.	.	H	α-helix	trans	-107.5	9.4	-175.5	-63.8	-59.2	0	0	0	114.9	V94 I96 D100 L101 L137 K140 I143	V94-Y98 HydrophobicContact CG1-CD2 3.73Å; V94-Y98 HydrophobicContact CG1-CE2 3.92Å; V94-Y98 VanDerWaalsContact O-CD2 3.32Å; V94-Y98 WeakPolarHBondContact O-CD2 2.99Å; V94-Y98 PolarHBondContact O-N 3.41Å; V94-Y98 VanDerWaalsContact O-N 3.12Å; I96-Y98 VanDerWaalsContact C-N 3.29Å; I96-Y98 PolarHBondContact O-N 3.34Å; Y98-D100 VanDerWaalsContact C-N 3.26Å; Y98-D100 PolarHBondContact O-N 2.9Å; Y98-L101 HydrophobicContact CD1-CD1 3.56Å; Y98-L101 HydrophobicContact CE1-CD1 4.29Å; Y98-L101 HydrophobicContact CG-CD1 4.38Å; Y98-L101 WeakPolarHBondContact O-CB 2.66Å; Y98-L101 PolarHBondContact O-N 2.82Å; Y98-L137 HydrophobicContact CD1-CD1 4.32Å; Y98-L137 HydrophobicContact CG-CD1 4Å; Y98-K140 HydrophobicContact CE1-CD 4.01Å; Y98-K140 HydrophobicContact CE2-CD 3.94Å; Y98-I143 HydrophobicContact CD2-CD1 3.42Å; Y98-I143 VanDerWaalsContact CD2-CD1 3.42Å; Y98-I143 HydrophobicContact CE2-CD1 3.93Å; Y98-I143 HydrophobicContact CG-CD1 4.1Å
99	K	81.6	Confident	84.5	Confident	121 Å²	121	74.1 Å²	74.1	53%	0.526	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-52.6	-40.9	-179.2	-168.5	177.9	177.6	-176.1	0	113.4	H95 I96 L101 L102	H95-K99 PolarHBondContact O-N 3.35Å; H95-K99 VanDerWaalsContact O-N 3.08Å; I96-K99 PolarHBondContact O-N 3.36Å; K99-L101 VanDerWaalsContact C-N 3.26Å; K99-L101 PolarHBondContact O-N 2.84Å; K99-L102 PolarHBondContact O-N 3.31Å
100	D	81.5	Confident	85.2	Confident	105 Å²	105	76.9 Å²	76.9	56%	0.561	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-73.2	-14.1	-178	-72.3	-43.2	0	0	0	114.7	Y98 R187	Y98-D100 VanDerWaalsContact C-N 3.26Å; Y98-D100 PolarHBondContact O-N 2.9Å; D100-R187 IonicContact OD1-NH2 2.95Å
101	L	82.1	Confident	85.9	Confident	78 Å²	78	73.4 Å²	73.4	41%	0.408	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-83	-14.8	176.6	-62.1	179.9	0	0	0	112.7	Y98 K99 K103 L137	Y98-L101 HydrophobicContact CD1-CD1 3.56Å; Y98-L101 HydrophobicContact CE1-CD1 4.29Å; Y98-L101 HydrophobicContact CG-CD1 4.38Å; Y98-L101 WeakPolarHBondContact O-CB 2.66Å; Y98-L101 PolarHBondContact O-N 2.82Å; K99-L101 VanDerWaalsContact C-N 3.26Å; K99-L101 PolarHBondContact O-N 2.84Å; L101-K103 PolarHBondContact O-N 3.1Å; L101-L137 HydrophobicContact CB-CD1 4.42Å; L101-L137 HydrophobicContact CB-CD2 4.29Å; L101-L137 HydrophobicContact CD1-CD1 4.02Å
102	L	84.2	Confident	86.5	Confident	22 Å²	22	77.7 Å²	77.7	12%	0.115	38%	0.383	C	S	.	.			trans	-77.9	73.1	175.6	-66.2	179.6	0	0	0	111.2	K99 L134 L137 L145 P444 F446	K99-L102 PolarHBondContact O-N 3.31Å; L102-L134 HydrophobicContact CD2-CD2 4.41Å; L102-L137 HydrophobicContact CD2-CD2 3.57Å; L102-L137 HydrophobicContact CG-CD2 4.3Å; L102-L145 HydrophobicContact CD2-CD2 3.55Å; L102-P444 HydrophobicContact CD2-CB 4.38Å; L102-F446 HydrophobicContact CD1-CD1 4.04Å; L102-F446 HydrophobicContact CD1-CD2 3.42Å; L102-F446 VanDerWaalsContact CD1-CD2 3.42Å; L102-F446 HydrophobicContact CD1-CE1 3.89Å; L102-F446 HydrophobicContact CD1-CE2 3.27Å; L102-F446 HydrophobicContact CD1-CG 3.81Å; L102-F446 HydrophobicContact CD1-CZ 3.51Å; L102-F446 HydrophobicContact CD2-CE1 3.97Å; L102-F446 HydrophobicContact CD2-CZ 4.03Å; L102-F446 HydrophobicContact CG-CD2 4.44Å; L102-F446 HydrophobicContact CG-CE1 4.07Å; L102-F446 HydrophobicContact CG-CE2 3.85Å; L102-F446 HydrophobicContact CG-CZ 3.62Å
103	K	87.8	Confident	87.2	Confident	109 Å²	109	84.6 Å²	84.6	47%	0.474	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-91.4	152.9	176.8	-62.7	-175.6	-179.6	-177.7	0	111.7	L101 W130 D184	L101-K103 PolarHBondContact O-N 3.1Å; K103-W130 PolarHBondContact O-NE1 3.22Å; K103-D184 WeakPolarHBondContact CA-OD2 3.43Å
104	I	91.7	Very high	87.7	Confident	5 Å²	5	81.5 Å²	81.5	3%	0.026	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-89.5	144.8	169.3	-70.3	172.2	0	0	0	108.5	R106 W155 L158 D184 L185 M443	I104-R106 PolarHBondContact O-N 2.92Å; I104-R106 PolarHBondContact O-NH1 3.46Å; I104-W155 HydrophobicContact CG2-CE3 4.22Å; I104-W155 HydrophobicContact CG2-CH2 4.37Å; I104-W155 HydrophobicContact CG2-CZ3 3.61Å; I104-L158 HydrophobicContact CG2-CD2 4.09Å; I104-D184 WeakPolarHBondContact CB-OD2 3.5Å; I104-D184 PolarHBondContact N-OD2 3.07Å; I104-L185 HydrophobicContact CD1-CB 3.95Å; I104-L185 HydrophobicContact CD1-CD1 4.27Å; I104-M443 HydrophobicContact CD1-CE 4.28Å; I104-M443 HydrophobicContact CD1-CG 4.29Å; I104-M443 HydrophobicContact CD1-SD 3.58Å; I104-M443 VanDerWaalsContact CD1-SD 3.58Å
105	P	93.8	Very high	88.4	Confident	2 Å²	2	82.4 Å²	82.4	1%	0.013	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-61.9	125.1	-179.5	26.9	-35	0	0	0	110.4	F127 W130 W155 W159	P105-F127 HydrophobicContact CB-CD2 4.36Å; P105-F127 HydrophobicContact CG-CD2 4.46Å; P105-W130 HydrophobicContact CB-CB 4.17Å; P105-W130 HydrophobicContact CB-CD2 3.84Å; P105-W130 HydrophobicContact CB-CE3 4.12Å; P105-W130 HydrophobicContact CB-CG 3.85Å; P105-W130 HydrophobicContact CG-CD2 4.07Å; P105-W130 HydrophobicContact CG-CE3 4.16Å; P105-W130 HydrophobicContact CG-CZ2 4.41Å; P105-W130 HydrophobicContact CG-CZ3 4.4Å; P105-W155 HydrophobicContact CG-CB 4.39Å; P105-W155 HydrophobicContact CG-CD2 3.48Å; P105-W155 VanDerWaalsContact CG-CD2 3.48Å; P105-W155 HydrophobicContact CG-CE3 3.5Å; P105-W155 HydrophobicContact CG-CG 3.93Å; P105-W155 HydrophobicContact CG-CH2 4.4Å; P105-W155 HydrophobicContact CG-CZ2 4.39Å; P105-W155 HydrophobicContact CG-CZ3 4.02Å; P105-W159 HydrophobicContact CB-CZ2 4.22Å; P105-W159 PolarHBondContact O-NE1 2.79Å
106	R	94.1	Very high	88.9	Confident	50 Å²	50	87.3 Å²	87.3	19%	0.189	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-81.2	140.8	176.9	-61.2	-59	-167.1	-115.3	5.7	109.5	I104 D184 E191	I104-R106 PolarHBondContact O-N 2.92Å; I104-R106 PolarHBondContact O-NH1 3.46Å; R106-D184 IonicContact CZ-OD1 3.48Å; R106-D184 IonicContact CZ-OD2 3.86Å; R106-D184 IonicContact NH1-OD1 3.85Å; R106-D184 IonicContact NH1-OD2 2.66Å; R106-D184 PolarHBondContact NH1-OD2 3.13Å; R106-D184 IonicContact NH2-OD1 2.73Å; R106-D184 PolarHBondContact NH2-OD1 3.01Å; R106-D184 IonicContact NH2-OD2 3.32Å; R106-D184 PolarHBondContact NH2-OD2 2.87Å; R106-E191 IonicContact CZ-OE1 3.57Å; R106-E191 IonicContact CZ-OE2 3.84Å; R106-E191 IonicContact NE-OE1 3.83Å; R106-E191 IonicContact NE-OE2 3.38Å; R106-E191 PolarHBondContact NE-OE2 2.98Å; R106-E191 IonicContact NH2-OE1 2.67Å; R106-E191 PolarHBondContact NH2-OE1 3.16Å; R106-E191 IonicContact NH2-OE2 2.64Å
107	R	94.5	Very high	89.4	Confident	44 Å²	44	87.1 Å²	87.1	17%	0.166	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-74.6	132.7	173.3	-166.5	170	-174.1	-164.5	0.4	109.9	E123 W159 E163	R107-E123 IonicContact CZ-OE1 3.36Å; R107-E123 IonicContact NE-OE1 3.45Å; R107-E123 PolarHBondContact NE-OE1 3.34Å; R107-E123 IonicContact NH2-OE1 3.47Å; R107-E123 PolarHBondContact NH2-OE1 3.47Å; R107-W159 HydrophobicContact CB-CB 4.33Å; R107-W159 HydrophobicContact CB-CD2 3.74Å; R107-W159 HydrophobicContact CB-CE3 4.17Å; R107-W159 HydrophobicContact CB-CG 3.83Å; R107-W159 HydrophobicContact CG-CB 4.48Å; R107-W159 HydrophobicContact CG-CD2 3.85Å; R107-W159 HydrophobicContact CG-CE3 3.75Å; R107-W159 HydrophobicContact CG-CG 4.21Å; R107-W159 HydrophobicContact CG-CZ3 4.24Å; R107-E163 VanDerWaalsContact CD-OE1 3.28Å; R107-E163 WeakPolarHBondContact CD-OE1 3.48Å; R107-E163 IonicContact CZ-OE1 2.73Å; R107-E163 IonicContact CZ-OE2 3.25Å; R107-E163 IonicContact NE-OE1 2.64Å; R107-E163 IonicContact NH1-OE1 3.4Å; R107-E163 PolarHBondContact NH1-OE1 2.75Å; R107-E163 IonicContact NH1-OE2 2.88Å; R107-E163 PolarHBondContact NH1-OE2 3.13Å
108	P	93.5	Very high	89.9	Confident	20 Å²	20	83.1 Å²	83.1	13%	0.13	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-60.6	146.5	171	26	-35	0	0	0	110.5	W110 L122 E123 E126	P108-W110 PolarHBondContact O-N 3.14Å; P108-L122 HydrophobicContact CB-CB 4.23Å; P108-L122 HydrophobicContact CG-CB 4.05Å; P108-E123 HydrophobicContact CG-CG 3.81Å; P108-E126 HydrophobicContact CB-CG 4.39Å
109	K	91.9	Very high	90.4	Very high	203 Å²	203	81 Å²	81	88%	0.883	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-62.5	129.9	174.7	-64.2	-173.3	179.3	-175.8	0	108.9
110	W	91.4	Very high	90.9	Very high	128 Å²	128	77.1 Å²	77.1	49%	0.485	40%	0.399	S	S	.	.			trans	-120.8	147.1	178.6	71.1	-86.7	0	0	0	110	P108 L119 E163	P108-W110 PolarHBondContact O-N 3.14Å; W110-L119 HydrophobicContact CB-CD1 3.58Å; W110-L119 HydrophobicContact CB-CD2 4.11Å; W110-L119 HydrophobicContact CB-CG 4.49Å; W110-L119 HydrophobicContact CG-CD1 4.46Å; W110-L119 HydrophobicContact CG-CD2 4.42Å; W110-E163 PolarHBondContact NE1-OE1 2.9Å
111	S	92.2	Very high	91.5	Very high	55 Å²	55	75 Å²	75	39%	0.385	39%	0.387	S	S	.	.			trans	-119.7	157.4	171.2	70.6	0	0	0	0	109.8	E113 M114	S111-E113 PolarHBondContact O-N 3.39Å; S111-E113 VanDerWaalsContact O-N 3.12Å; S111-M114 PolarHBondContact N-SD 3.42Å; S111-M114 VanDerWaalsContact N-SD 3.44Å; S111-M114 PolarHBondContact O-N 2.97Å; S111-M114 WeakPolarHBondContact OG-CG 3.37Å
112	S	91.3	Very high	92	Very high	118 Å²	118	73.9 Å²	73.9	83%	0.825	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-15.1	179.8	-171	0	0	0	0	113.7
113	E	92.3	Very high	92.5	Very high	186 Å²	186	73.3 Å²	73.3	87%	0.869	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-17	-178.7	-61.8	175.9	-179.8	0	0	112.8	S111	S111-E113 PolarHBondContact O-N 3.39Å; S111-E113 VanDerWaalsContact O-N 3.12Å
114	M	91.3	Very high	92.7	Very high	64 Å²	64	70 Å²	70	32%	0.315	36%	0.364	S	S	.	.	S	Bend	trans	-73.2	144.9	-177	-68	172.4	69.9	0	0	111.6	S111 T118 L122	S111-M114 PolarHBondContact N-SD 3.42Å; S111-M114 VanDerWaalsContact N-SD 3.44Å; S111-M114 PolarHBondContact O-N 2.97Å; S111-M114 WeakPolarHBondContact OG-CG 3.37Å; M114-T118 HydrophobicContact CE-CG2 4.05Å; M114-L122 HydrophobicContact CE-CD1 3.32Å
115	S	93.5	Very high	92.7	Very high	59 Å²	59	75.6 Å²	75.6	41%	0.413	39%	0.39	S	S	.	.			trans	-71	149.5	172.1	74.1	0	0	0	0	111.3	D117 T118 L119	S115-D117 VanDerWaalsContact C-N 3.25Å; S115-D117 PolarHBondContact O-N 3.48Å; S115-T118 PolarHBondContact O-N 3.47Å; S115-T118 VanDerWaalsContact O-N 3.16Å; S115-T118 WeakPolarHBondContact OG-CB 3.35Å; S115-T118 PolarHBondContact OG-N 3.35Å; S115-T118 PolarHBondContact OG-OG1 3.29Å; S115-L119 PolarHBondContact O-N 2.99Å
116	V	92.8	Very high	92.7	Very high	122 Å²	122	78.9 Å²	78.9	74%	0.739	41%	0.405	S	S	*	.	H	α-helix	trans	-56.8	-41.6	178.4	-179.4	0	0	0	0	111.1	L119 D120	V116-L119 PolarHBondContact O-N 3.16Å; V116-D120 WeakPolarHBondContact O-CB 3.34Å; V116-D120 PolarHBondContact O-N 2.86Å
117	D	92.3	Very high	92.6	Very high	117 Å²	117	76.5 Å²	76.5	63%	0.626	40%	0.396	S	S	*	.	H	α-helix	trans	-68.1	-36.9	179.7	-58.9	-35.7	0	0	0	112.2	S115 D120 N121	S115-D117 VanDerWaalsContact C-N 3.25Å; S115-D117 PolarHBondContact O-N 3.48Å; D117-D120 PolarHBondContact O-N 3.13Å; D117-N121 WeakPolarHBondContact O-CB 3.48Å; D117-N121 VanDerWaalsContact O-CG 3.28Å; D117-N121 PolarHBondContact O-N 2.83Å; D117-N121 PolarHBondContact O-ND2 3.29Å; D117-N121 VanDerWaalsContact O-ND2 3.09Å
118	T	92.8	Very high	92.4	Very high	66 Å²	66	74.9 Å²	74.9	41%	0.405	39%	0.391	S	S	.	.	H	α-helix	trans	-64.2	-44.6	175.6	-57.7	0	0	0	0	110.3	M114 S115 N121 L122	M114-T118 HydrophobicContact CE-CG2 4.05Å; S115-T118 PolarHBondContact O-N 3.47Å; S115-T118 VanDerWaalsContact O-N 3.16Å; S115-T118 WeakPolarHBondContact OG-CB 3.35Å; S115-T118 PolarHBondContact OG-N 3.35Å; S115-T118 PolarHBondContact OG-OG1 3.29Å; T118-N121 PolarHBondContact O-N 2.98Å; T118-L122 HydrophobicContact CG2-CD1 4.17Å; T118-L122 WeakPolarHBondContact O-CG 3.44Å; T118-L122 PolarHBondContact O-N 3.49Å
119	L	92.7	Very high	92.3	Very high	28 Å²	28	79.7 Å²	79.7	15%	0.147	41%	0.41	C	S	.	.	H	α-helix	trans	-64.2	-43.5	176.9	-178.9	58.5	0	0	0	111.9	W110 S115 V116 N121 L122 E123	W110-L119 HydrophobicContact CB-CD1 3.58Å; W110-L119 HydrophobicContact CB-CD2 4.11Å; W110-L119 HydrophobicContact CB-CG 4.49Å; W110-L119 HydrophobicContact CG-CD1 4.46Å; W110-L119 HydrophobicContact CG-CD2 4.42Å; S115-L119 PolarHBondContact O-N 2.99Å; V116-L119 PolarHBondContact O-N 3.16Å; L119-N121 VanDerWaalsContact C-N 3.32Å; L119-N121 PolarHBondContact O-N 2.97Å; L119-L122 PolarHBondContact O-N 3.4Å; L119-E123 HydrophobicContact CD1-CG 4.21Å; L119-E123 HydrophobicContact CG-CG 4.46Å; L119-E123 WeakPolarHBondContact O-CB 3.43Å; L119-E123 WeakPolarHBondContact O-CG 3.39Å; L119-E123 PolarHBondContact O-N 3.08Å
120	D	92.2	Very high	92.4	Very high	38 Å²	38	71 Å²	71	20%	0.203	37%	0.372	C	S	.	.	H	α-helix	trans	-58.6	-43.2	176.7	-179.2	67.7	0	0	0	111.7	V116 D117 E123 K124 R156	V116-D120 WeakPolarHBondContact O-CB 3.34Å; V116-D120 PolarHBondContact O-N 2.86Å; D117-D120 PolarHBondContact O-N 3.13Å; D120-E123 PolarHBondContact O-N 3.02Å; D120-K124 VanDerWaalsContact O-CG 3.3Å; D120-K124 WeakPolarHBondContact O-CG 3.35Å; D120-K124 PolarHBondContact O-N 3.35Å; D120-K124 WeakPolarHBondContact OD2-CE 3.43Å; D120-K124 IonicContact OD2-NZ 3.95Å; D120-K124 PolarHBondContact OD2-NZ 3.16Å; D120-R156 IonicContact OD1-CZ 3.42Å; D120-R156 IonicContact OD1-NH1 2.74Å; D120-R156 PolarHBondContact OD1-NH1 3.14Å; D120-R156 IonicContact OD1-NH2 2.98Å; D120-R156 PolarHBondContact OD1-NH2 3.1Å
121	N	92.5	Very high	92.3	Very high	60 Å²	60	65.7 Å²	65.7	32%	0.321	35%	0.352	S	S	.	.	H	α-helix	trans	-65.9	-44.1	176.8	-71.5	-34.4	0	0	0	112.3	N61 D117 T118 L119 E123 K124 E125	N61-N121 PolarHBondContact ND2-OD1 2.64Å; N61-N121 VanDerWaalsContact ND2-OD1 3.16Å; D117-N121 WeakPolarHBondContact O-CB 3.48Å; D117-N121 VanDerWaalsContact O-CG 3.28Å; D117-N121 PolarHBondContact O-N 2.83Å; D117-N121 PolarHBondContact O-ND2 3.29Å; D117-N121 VanDerWaalsContact O-ND2 3.09Å; T118-N121 PolarHBondContact O-N 2.98Å; L119-N121 VanDerWaalsContact C-N 3.32Å; L119-N121 PolarHBondContact O-N 2.97Å; N121-E123 VanDerWaalsContact C-N 3.34Å; N121-E123 PolarHBondContact O-N 3.5Å; N121-K124 WeakPolarHBondContact O-CB 3.49Å; N121-K124 PolarHBondContact O-N 3.3Å; N121-E125 WeakPolarHBondContact O-CG 3.36Å; N121-E125 PolarHBondContact O-N 3.24Å
122	L	93.4	Very high	92	Very high	56 Å²	56	70.3 Å²	70.3	29%	0.293	36%	0.361	S	S	.	.	H	α-helix	trans	-62.5	-41.1	176.5	-71.3	170	0	0	0	112.2	P108 M114 T118 L119 K124 E125 E126	P108-L122 HydrophobicContact CB-CB 4.23Å; P108-L122 HydrophobicContact CG-CB 4.05Å; M114-L122 HydrophobicContact CE-CD1 3.32Å; T118-L122 HydrophobicContact CG2-CD1 4.17Å; T118-L122 WeakPolarHBondContact O-CG 3.44Å; T118-L122 PolarHBondContact O-N 3.49Å; L119-L122 PolarHBondContact O-N 3.4Å; L122-K124 VanDerWaalsContact C-N 3.34Å; L122-E125 PolarHBondContact O-N 3.03Å; L122-E126 PolarHBondContact O-N 3.29Å
123	E	94.2	Very high	92	Very high	9 Å²	9	67.6 Å²	67.6	4%	0.042	34%	0.341	C	S	.	.	H	α-helix	trans	-63	-41.1	175.9	-73.9	-178.9	172.2	0	0	111.3	R107 P108 L119 D120 N121 F127 R156 W159	R107-E123 IonicContact CZ-OE1 3.36Å; R107-E123 IonicContact NE-OE1 3.45Å; R107-E123 PolarHBondContact NE-OE1 3.34Å; R107-E123 IonicContact NH2-OE1 3.47Å; R107-E123 PolarHBondContact NH2-OE1 3.47Å; P108-E123 HydrophobicContact CG-CG 3.81Å; L119-E123 HydrophobicContact CD1-CG 4.21Å; L119-E123 HydrophobicContact CG-CG 4.46Å; L119-E123 WeakPolarHBondContact O-CB 3.43Å; L119-E123 WeakPolarHBondContact O-CG 3.39Å; L119-E123 PolarHBondContact O-N 3.08Å; D120-E123 PolarHBondContact O-N 3.02Å; N121-E123 VanDerWaalsContact C-N 3.34Å; N121-E123 PolarHBondContact O-N 3.5Å; E123-F127 VanDerWaalsContact O-CB 3.23Å; E123-F127 WeakPolarHBondContact O-CB 3.34Å; E123-F127 PolarHBondContact O-N 2.95Å; E123-R156 IonicContact OE2-CZ 3.93Å; E123-R156 VanDerWaalsContact OE2-CZ 3.25Å; E123-R156 IonicContact OE2-NE 3.83Å; E123-R156 PolarHBondContact OE2-NE 2.98Å; E123-R156 IonicContact OE2-NH2 3.24Å; E123-R156 PolarHBondContact OE2-NH2 3.12Å; E123-W159 HydrophobicContact CB-CH2 4.23Å; E123-W159 HydrophobicContact CB-CZ3 3.95Å; E123-W159 HydrophobicContact CG-CH2 4.28Å; E123-W159 HydrophobicContact CG-CZ3 3.68Å
124	K	92.6	Very high	91.7	Very high	40 Å²	40	58.9 Å²	58.9	17%	0.174	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-43.5	174.3	-74.6	168.3	176.8	167.3	0	112.2	L59 D120 N121 L122 F127 L128 L152	L59-K124 HydrophobicContact CD2-CG 4.17Å; D120-K124 VanDerWaalsContact O-CG 3.3Å; D120-K124 WeakPolarHBondContact O-CG 3.35Å; D120-K124 PolarHBondContact O-N 3.35Å; D120-K124 WeakPolarHBondContact OD2-CE 3.43Å; D120-K124 IonicContact OD2-NZ 3.95Å; D120-K124 PolarHBondContact OD2-NZ 3.16Å; N121-K124 WeakPolarHBondContact O-CB 3.49Å; N121-K124 PolarHBondContact O-N 3.3Å; L122-K124 VanDerWaalsContact C-N 3.34Å; K124-F127 PolarHBondContact O-N 3.24Å; K124-L128 WeakPolarHBondContact O-CB 3.13Å; K124-L128 WeakPolarHBondContact O-CG 3.46Å; K124-L128 PolarHBondContact O-N 3.38Å; K124-L152 HydrophobicContact CG-CD2 3.79Å
125	E	92.1	Very high	91.4	Very high	123 Å²	123	57.9 Å²	57.9	58%	0.575	30%	0.303	S	S	*	.	H	α-helix	trans	-62.9	-48.7	179.7	-76.4	178.2	-178.9	0	0	112.2	N121 L122 F127 L128 K129	N121-E125 WeakPolarHBondContact O-CG 3.36Å; N121-E125 PolarHBondContact O-N 3.24Å; L122-E125 PolarHBondContact O-N 3.03Å; E125-F127 VanDerWaalsContact C-N 3.32Å; E125-F127 PolarHBondContact O-N 3.49Å; E125-L128 PolarHBondContact O-N 3.17Å; E125-K129 WeakPolarHBondContact O-CB 3.32Å; E125-K129 PolarHBondContact O-N 3.43Å
126	E	92.8	Very high	91	Very high	70 Å²	70	60.3 Å²	60.3	33%	0.327	31%	0.31	S	S	.	.	H	α-helix	trans	-64.3	-38.5	176.8	-80	-60.4	142.8	0	0	111.5	P108 L122 L128 K129 W130	P108-E126 HydrophobicContact CB-CG 4.39Å; L122-E126 PolarHBondContact O-N 3.29Å; E126-L128 PolarHBondContact O-N 3.06Å; E126-K129 PolarHBondContact O-N 3.34Å; E126-K129 IonicContact OE1-NZ 2.67Å; E126-K129 PolarHBondContact OE1-NZ 3.47Å; E126-K129 IonicContact OE2-NZ 3.08Å; E126-W130 WeakPolarHBondContact O-CB 3.36Å; E126-W130 PolarHBondContact O-N 3.28Å
127	F	92.9	Very high	90.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-41.6	174.6	-174.2	-110.5	0	0	0	112.8	L59 P105 E123 K124 E125 W130 R131 R150 L152 W155	L59-F127 HydrophobicContact CD1-CD1 3.89Å; L59-F127 HydrophobicContact CD1-CE1 3.87Å; L59-F127 HydrophobicContact CD2-CD1 4.37Å; P105-F127 HydrophobicContact CB-CD2 4.36Å; P105-F127 HydrophobicContact CG-CD2 4.46Å; E123-F127 VanDerWaalsContact O-CB 3.23Å; E123-F127 WeakPolarHBondContact O-CB 3.34Å; E123-F127 PolarHBondContact O-N 2.95Å; K124-F127 PolarHBondContact O-N 3.24Å; E125-F127 VanDerWaalsContact C-N 3.32Å; E125-F127 PolarHBondContact O-N 3.49Å; F127-W130 AromaticContact CD2-CE3 3.72Å; F127-W130 HydrophobicContact CD2-CE3 3.72Å; F127-W130 AromaticContact CD2-CZ3 3.99Å; F127-W130 HydrophobicContact CD2-CZ3 3.99Å; F127-W130 AromaticContact CE2-CE3 3.54Å; F127-W130 HydrophobicContact CE2-CE3 3.54Å; F127-W130 HydrophobicContact CE2-CH2 4.43Å; F127-W130 AromaticContact CE2-CZ3 3.31Å; F127-W130 HydrophobicContact CE2-CZ3 3.31Å; F127-W130 HydrophobicContact CZ-CE3 4.3Å; F127-W130 AromaticContact CZ-CZ3 3.89Å; F127-W130 HydrophobicContact CZ-CZ3 3.89Å; F127-W130 PolarHBondContact O-N 3.04Å; F127-R131 HydrophobicContact CE1-CG 4.22Å; F127-R131 HydrophobicContact CZ-CG 4.31Å; F127-R131 WeakPolarHBondContact O-CG 3.33Å; F127-R131 PolarHBondContact O-N 3.45Å; F127-R150 WeakPolarHBondContact CE1-O 3.25Å; F127-R150 WeakPolarHBondContact CZ-O 3.45Å; F127-L152 HydrophobicContact CB-CD1 3.79Å; F127-L152 HydrophobicContact CD1-CB 4.11Å; F127-L152 HydrophobicContact CD1-CD1 4.27Å; F127-L152 HydrophobicContact CD2-CD1 3.85Å; F127-L152 HydrophobicContact CE1-CB 4.16Å; F127-L152 HydrophobicContact CG-CB 4.39Å; F127-L152 HydrophobicContact CG-CD1 3.72Å; F127-W155 AromaticContact CE2-CD1 3.34Å; F127-W155 HydrophobicContact CE2-CG 4.07Å; F127-W155 AromaticContact CE2-NE1 3.63Å; F127-W155 AromaticContact CZ-CD1 3.95Å
128	L	90.6	Very high	90.1	Very high	11 Å²	11	54.1 Å²	54.1	6%	0.058	27%	0.27	C	S	.	.	H	α-helix	trans	-65.1	-42.1	175.3	-78.9	173.6	0	0	0	112.2	I56 L59 A60 K124 E125 E126 W130 R131 R132	I56-L128 HydrophobicContact CG2-CD2 4.26Å; L59-L128 HydrophobicContact CB-CD1 4.07Å; L59-L128 HydrophobicContact CB-CD2 3.75Å; L59-L128 HydrophobicContact CB-CG 3.97Å; L59-L128 HydrophobicContact CD1-CD2 4.07Å; A60-L128 HydrophobicContact CB-CD1 3.89Å; K124-L128 WeakPolarHBondContact O-CB 3.13Å; K124-L128 WeakPolarHBondContact O-CG 3.46Å; K124-L128 PolarHBondContact O-N 3.38Å; E125-L128 PolarHBondContact O-N 3.17Å; E126-L128 PolarHBondContact O-N 3.06Å; L128-W130 VanDerWaalsContact C-N 3.33Å; L128-R131 PolarHBondContact O-N 3.31Å; L128-R132 VanDerWaalsContact O-CG 3.32Å; L128-R132 WeakPolarHBondContact O-CG 3.47Å; L128-R132 PolarHBondContact O-N 3.38Å
129	K	91.4	Very high	89.5	Confident	121 Å²	121	57.9 Å²	57.9	53%	0.526	28%	0.283	S	S	.	.	H	α-helix	trans	-60.5	-44.3	175.6	-179.4	-176	173.7	-169.4	0	111.1	E125 E126 R132 S133	E125-K129 WeakPolarHBondContact O-CB 3.32Å; E125-K129 PolarHBondContact O-N 3.43Å; E126-K129 PolarHBondContact O-N 3.34Å; E126-K129 IonicContact OE1-NZ 2.67Å; E126-K129 PolarHBondContact OE1-NZ 3.47Å; E126-K129 IonicContact OE2-NZ 3.08Å; K129-R132 PolarHBondContact O-N 2.95Å; K129-S133 PolarHBondContact O-N 3.14Å
130	W	92.4	Very high	88.8	Confident	21 Å²	21	60.1 Å²	60.1	8%	0.08	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-47.8	173.6	170.8	72.2	0	0	0	112.3	K103 P105 E126 F127 L128 R132 S133 L134 F148 W155 P444	K103-W130 PolarHBondContact O-NE1 3.22Å; P105-W130 HydrophobicContact CB-CB 4.17Å; P105-W130 HydrophobicContact CB-CD2 3.84Å; P105-W130 HydrophobicContact CB-CE3 4.12Å; P105-W130 HydrophobicContact CB-CG 3.85Å; P105-W130 HydrophobicContact CG-CD2 4.07Å; P105-W130 HydrophobicContact CG-CE3 4.16Å; P105-W130 HydrophobicContact CG-CZ2 4.41Å; P105-W130 HydrophobicContact CG-CZ3 4.4Å; E126-W130 WeakPolarHBondContact O-CB 3.36Å; E126-W130 PolarHBondContact O-N 3.28Å; F127-W130 AromaticContact CD2-CE3 3.72Å; F127-W130 HydrophobicContact CD2-CE3 3.72Å; F127-W130 AromaticContact CD2-CZ3 3.99Å; F127-W130 HydrophobicContact CD2-CZ3 3.99Å; F127-W130 AromaticContact CE2-CE3 3.54Å; F127-W130 HydrophobicContact CE2-CE3 3.54Å; F127-W130 HydrophobicContact CE2-CH2 4.43Å; F127-W130 AromaticContact CE2-CZ3 3.31Å; F127-W130 HydrophobicContact CE2-CZ3 3.31Å; F127-W130 HydrophobicContact CZ-CE3 4.3Å; F127-W130 AromaticContact CZ-CZ3 3.89Å; F127-W130 HydrophobicContact CZ-CZ3 3.89Å; F127-W130 PolarHBondContact O-N 3.04Å; L128-W130 VanDerWaalsContact C-N 3.33Å; W130-R132 VanDerWaalsContact C-N 3.31Å; W130-R132 PolarHBondContact O-N 3.47Å; W130-S133 VanDerWaalsContact O-CB 3.31Å; W130-S133 WeakPolarHBondContact O-CB 3.39Å; W130-S133 PolarHBondContact O-N 3.25Å; W130-L134 HydrophobicContact CD2-CD1 4.29Å; W130-L134 HydrophobicContact CH2-CD1 3.88Å; W130-L134 HydrophobicContact CZ2-CD1 3.35Å; W130-L134 HydrophobicContact CZ2-CG 4.43Å; W130-L134 PolarHBondContact O-N 3.44Å; W130-L134 VanDerWaalsContact O-N 3.1Å; W130-F148 AromaticContact CH2-CD2 3.55Å; W130-F148 HydrophobicContact CH2-CD2 3.55Å; W130-F148 AromaticContact CH2-CE2 3.8Å; W130-F148 HydrophobicContact CH2-CE2 3.8Å; W130-F148 HydrophobicContact CH2-CG 4.38Å; W130-F148 HydrophobicContact CZ2-CD2 4.42Å; W130-F148 HydrophobicContact CZ3-CD2 4.15Å; W130-F148 HydrophobicContact CZ3-CE2 4Å; W130-W155 AromaticContact CH2-CE2 3.82Å; W130-W155 HydrophobicContact CH2-CH2 4.38Å; W130-W155 AromaticContact CH2-CZ2 3.5Å; W130-W155 HydrophobicContact CH2-CZ2 3.5Å; W130-W155 AromaticContact CH2-NE1 3.97Å; W130-W155 HydrophobicContact CZ2-CH2 4.4Å; W130-W155 AromaticContact CZ2-CZ2 3.93Å; W130-W155 HydrophobicContact CZ2-CZ2 3.93Å; W130-W155 HydrophobicContact CZ3-CZ2 4.35Å; W130-P444 HydrophobicContact CZ2-CG 4.17Å
131	R	89.4	Confident	87.7	Confident	16 Å²	16	64.4 Å²	64.4	6%	0.06	31%	0.314	C	S	.	.	H	α-helix	trans	-58.6	-40.3	175.9	-76.4	-174.1	68	170.7	1.1	112.8	E52 F127 L128 S133 L134 A135	E52-R131 IonicContact OE1-NH2 3.51Å; E52-R131 PolarHBondContact OE1-NH2 3.49Å; F127-R131 HydrophobicContact CE1-CG 4.22Å; F127-R131 HydrophobicContact CZ-CG 4.31Å; F127-R131 WeakPolarHBondContact O-CG 3.33Å; F127-R131 PolarHBondContact O-N 3.45Å; L128-R131 PolarHBondContact O-N 3.31Å; R131-S133 VanDerWaalsContact C-N 3.32Å; R131-S133 PolarHBondContact O-N 3.46Å; R131-L134 PolarHBondContact O-N 3.18Å; R131-A135 PolarHBondContact O-N 3.23Å
132	R	87.7	Confident	86.6	Confident	152 Å²	152	63.8 Å²	63.8	57%	0.574	32%	0.323	S	S	*	.	H	α-helix	trans	-62.1	-40.2	174.7	-69.8	171.8	-165.3	159.4	4.2	111.4	L128 K129 W130 L134 A135 L136	L128-R132 VanDerWaalsContact O-CG 3.32Å; L128-R132 WeakPolarHBondContact O-CG 3.47Å; L128-R132 PolarHBondContact O-N 3.38Å; K129-R132 PolarHBondContact O-N 2.95Å; W130-R132 VanDerWaalsContact C-N 3.31Å; W130-R132 PolarHBondContact O-N 3.47Å; R132-L134 VanDerWaalsContact C-N 3.34Å; R132-L134 PolarHBondContact O-N 3.38Å; R132-A135 PolarHBondContact O-N 3.48Å; R132-L136 VanDerWaalsContact O-CG 3.32Å; R132-L136 WeakPolarHBondContact O-CG 3.49Å; R132-L136 PolarHBondContact O-N 3.28Å
133	S	89.3	Confident	85.7	Confident	60 Å²	60	61.5 Å²	61.5	42%	0.42	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-39.4	176.6	-170.2	0	0	0	0	112.6	K129 W130 R131 L137	K129-S133 PolarHBondContact O-N 3.14Å; W130-S133 VanDerWaalsContact O-CB 3.31Å; W130-S133 WeakPolarHBondContact O-CB 3.39Å; W130-S133 PolarHBondContact O-N 3.25Å; R131-S133 VanDerWaalsContact C-N 3.32Å; R131-S133 PolarHBondContact O-N 3.46Å; S133-L137 PolarHBondContact O-N 3.44Å
134	L	86.7	Confident	84.7	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-71.4	-38.7	175.8	-69.3	-178.2	0	0	0	112.4	L102 W130 R131 R132 L136 L137 E138 L145 F148 P444	L102-L134 HydrophobicContact CD2-CD2 4.41Å; W130-L134 HydrophobicContact CD2-CD1 4.29Å; W130-L134 HydrophobicContact CH2-CD1 3.88Å; W130-L134 HydrophobicContact CZ2-CD1 3.35Å; W130-L134 HydrophobicContact CZ2-CG 4.43Å; W130-L134 PolarHBondContact O-N 3.44Å; W130-L134 VanDerWaalsContact O-N 3.1Å; R131-L134 PolarHBondContact O-N 3.18Å; R132-L134 VanDerWaalsContact C-N 3.34Å; R132-L134 PolarHBondContact O-N 3.38Å; L134-L136 VanDerWaalsContact C-N 3.33Å; L134-L136 PolarHBondContact O-N 3.05Å; L134-L137 WeakPolarHBondContact O-CA 3.46Å; L134-L137 WeakPolarHBondContact O-CB 3.41Å; L134-L137 PolarHBondContact O-N 3.43Å; L134-E138 PolarHBondContact O-N 3.16Å; L134-L145 HydrophobicContact CB-CD1 4.34Å; L134-L145 HydrophobicContact CD2-CD1 4.4Å; L134-F148 HydrophobicContact CD1-CD1 4.2Å; L134-F148 HydrophobicContact CD1-CD2 4.43Å; L134-F148 HydrophobicContact CD1-CE1 3.94Å; L134-F148 HydrophobicContact CD1-CE2 4.17Å; L134-F148 HydrophobicContact CD1-CG 4.44Å; L134-F148 HydrophobicContact CD1-CZ 3.91Å; L134-P444 HydrophobicContact CD1-CB 4.22Å; L134-P444 HydrophobicContact CD1-CG 4.31Å; L134-P444 HydrophobicContact CD2-CB 4.34Å
135	A	84.4	Confident	84	Confident	44 Å²	44	63.1 Å²	63.1	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-41.4	175.5	0	0	0	0	0	111.9	R131 R132 L137 E138 E139	R131-A135 PolarHBondContact O-N 3.23Å; R132-A135 PolarHBondContact O-N 3.48Å; A135-L137 PolarHBondContact O-N 2.92Å; A135-E138 PolarHBondContact O-N 3.25Å; A135-E139 WeakPolarHBondContact O-CG 3.06Å; A135-E139 PolarHBondContact O-N 3.23Å
136	L	86.2	Confident	83.3	Confident	109 Å²	109	57.3 Å²	57.3	57%	0.571	30%	0.296	S	S	*	.	H	α-helix	trans	-63.4	-25.7	173.6	-70.9	169.6	0	0	0	113.1	R132 L134	R132-L136 VanDerWaalsContact O-CG 3.32Å; R132-L136 WeakPolarHBondContact O-CG 3.49Å; R132-L136 PolarHBondContact O-N 3.28Å; L134-L136 VanDerWaalsContact C-N 3.33Å; L134-L136 PolarHBondContact O-N 3.05Å
137	L	84.4	Confident	82.7	Confident	5 Å²	5	54.6 Å²	54.6	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-79.8	-40	175.8	-176.3	62.8	0	0	0	111.2	Y98 L101 L102 S133 L134 A135 E139 K140 I143 L145 F446	Y98-L137 HydrophobicContact CD1-CD1 4.32Å; Y98-L137 HydrophobicContact CG-CD1 4Å; L101-L137 HydrophobicContact CB-CD1 4.42Å; L101-L137 HydrophobicContact CB-CD2 4.29Å; L101-L137 HydrophobicContact CD1-CD1 4.02Å; L102-L137 HydrophobicContact CD2-CD2 3.57Å; L102-L137 HydrophobicContact CG-CD2 4.3Å; S133-L137 PolarHBondContact O-N 3.44Å; L134-L137 WeakPolarHBondContact O-CA 3.46Å; L134-L137 WeakPolarHBondContact O-CB 3.41Å; L134-L137 PolarHBondContact O-N 3.43Å; A135-L137 PolarHBondContact O-N 2.92Å; L137-E139 VanDerWaalsContact C-N 3.32Å; L137-K140 HydrophobicContact CD1-CD 4.36Å; L137-K140 WeakPolarHBondContact O-CB 3.35Å; L137-K140 PolarHBondContact O-N 3.11Å; L137-I143 HydrophobicContact CD1-CD1 3.72Å; L137-I143 HydrophobicContact CG-CD1 4.27Å; L137-I143 HydrophobicContact CG-CG2 4.47Å; L137-L145 HydrophobicContact CD2-CD2 4.08Å; L137-F446 HydrophobicContact CD2-CE1 4.14Å; L137-F446 HydrophobicContact CD2-CZ 4.31Å
138	E	81.5	Confident	82.4	Confident	105 Å²	105	55.1 Å²	55.1	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-68.1	-28.6	176.8	-169.2	175.2	-170.7	0	0	112.8	L134 A135 K140 L145	L134-E138 PolarHBondContact O-N 3.16Å; A135-E138 PolarHBondContact O-N 3.25Å; E138-K140 PolarHBondContact O-N 2.8Å; E138-L145 HydrophobicContact CB-CD1 4.2Å
139	E	79.6	Confident	82.3	Confident	144 Å²	144	54.6 Å²	54.6	67%	0.673	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.3	173.8	-78.4	176.9	-173.1	0	0	113.6	A135 L137	A135-E139 WeakPolarHBondContact O-CG 3.06Å; A135-E139 PolarHBondContact O-N 3.23Å; L137-E139 VanDerWaalsContact C-N 3.32Å
140	K	79.2	Confident	82.1	Confident	75 Å²	75	50.5 Å²	50.5	33%	0.326	27%	0.266	S	S	.	.	S	Bend	trans	-79.7	129.2	177.9	-62	-176.4	-179.7	179.6	0	110.4	Y98 L137 E138 G142 I143	Y98-K140 HydrophobicContact CE1-CD 4.01Å; Y98-K140 HydrophobicContact CE2-CD 3.94Å; L137-K140 HydrophobicContact CD1-CD 4.36Å; L137-K140 WeakPolarHBondContact O-CB 3.35Å; L137-K140 PolarHBondContact O-N 3.11Å; E138-K140 PolarHBondContact O-N 2.8Å; K140-G142 PolarHBondContact O-N 2.87Å; K140-I143 HydrophobicContact CB-CD1 3.96Å; K140-I143 HydrophobicContact CB-CG1 4.49Å; K140-I143 HydrophobicContact CD-CD1 4.4Å; K140-I143 PolarHBondContact O-N 2.87Å
141	D	69.2	Low	81.9	Confident	128 Å²	128	51.7 Å²	51.7	68%	0.684	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	132.7	-177.2	-62.1	-40.4	0	0	0	111.7	R72	R72-D141 IonicContact NH1-OD1 3.86Å; R72-D141 PolarHBondContact NH1-OD1 3.27Å
142	G	68.8	Low	81.9	Confident	48 Å²	48	51.4 Å²	51.4	50%	0.495	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-1.3	175.4	0	0	0	0	0	116.2	K140	K140-G142 PolarHBondContact O-N 2.87Å
143	I	73.5	Confident	82	Confident	8 Å²	8	45.2 Å²	45.2	4%	0.041	25%	0.251	C	S	.	.			trans	-97.7	118	177.2	-58.9	-177.5	0	0	0	110.2	V94 Y98 L137 K140 L145 F446	V94-I143 HydrophobicContact CG1-CD1 3.79Å; V94-I143 HydrophobicContact CG1-CG1 3.45Å; V94-I143 VanDerWaalsContact CG1-CG1 3.45Å; Y98-I143 HydrophobicContact CD2-CD1 3.42Å; Y98-I143 VanDerWaalsContact CD2-CD1 3.42Å; Y98-I143 HydrophobicContact CE2-CD1 3.93Å; Y98-I143 HydrophobicContact CG-CD1 4.1Å; L137-I143 HydrophobicContact CD1-CD1 3.72Å; L137-I143 HydrophobicContact CG-CD1 4.27Å; L137-I143 HydrophobicContact CG-CG2 4.47Å; K140-I143 HydrophobicContact CB-CD1 3.96Å; K140-I143 HydrophobicContact CB-CG1 4.49Å; K140-I143 HydrophobicContact CD-CD1 4.4Å; K140-I143 PolarHBondContact O-N 2.87Å; I143-L145 HydrophobicContact CG2-CD2 4.01Å; I143-L145 HydrophobicContact CG2-CG 4.26Å; I143-F446 HydrophobicContact CG2-CD1 3.77Å; I143-F446 HydrophobicContact CG2-CE1 3.55Å
144	V	73.7	Confident	82.1	Confident	65 Å²	65	42.5 Å²	42.5	39%	0.394	23%	0.231	S	C	.	.			trans	-110.8	113.7	168.4	-178.5	0	0	0	0	108.5	A447	V144-A447 PolarHBondContact O-N 2.97Å; V144-A447 VanDerWaalsContact O-O 3.08Å
145	L	78.9	Confident	82.4	Confident	17 Å²	17	42.4 Å²	42.4	9%	0.089	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-80.8	146.1	176.3	-64.2	178	0	0	0	110.5	L102 L134 L137 E138 I143 F446	L102-L145 HydrophobicContact CD2-CD2 3.55Å; L134-L145 HydrophobicContact CB-CD1 4.34Å; L134-L145 HydrophobicContact CD2-CD1 4.4Å; L137-L145 HydrophobicContact CD2-CD2 4.08Å; E138-L145 HydrophobicContact CB-CD1 4.2Å; I143-L145 HydrophobicContact CG2-CD2 4.01Å; I143-L145 HydrophobicContact CG2-CG 4.26Å; L145-F446 HydrophobicContact CD2-CD1 3.9Å; L145-F446 HydrophobicContact CD2-CE1 3.85Å
146	T	77.4	Confident	82.8	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-63.8	140.9	167	56.9	0	0	0	0	110.3	F148 M443 S445 A447 L453	T146-F148 PolarHBondContact O-N 3.32Å; T146-M443 PolarHBondContact OG1-O 3.16Å; T146-M443 VanDerWaalsContact OG1-O 3.12Å; T146-S445 WeakPolarHBondContact CG2-O 3.35Å; T146-S445 WeakPolarHBondContact CG2-OG 3.37Å; T146-S445 PolarHBondContact N-O 2.64Å; T146-S445 PolarHBondContact OG1-N 3.09Å; T146-S445 PolarHBondContact OG1-O 3.31Å; T146-S445 PolarHBondContact OG1-OG 2.96Å; T146-A447 HydrophobicContact CG2-CB 3.57Å; T146-L453 HydrophobicContact CG2-CD1 4.15Å; T146-L453 HydrophobicContact CG2-CD2 3.37Å; T146-L453 HydrophobicContact CG2-CG 4.29Å
147	P	78.9	Confident	83.2	Confident	13 Å²	13	36.6 Å²	36.6	8%	0.084	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-58.5	118.7	172.2	27.7	-31.2	0	0	0	107.1	T45 E46 V442 L453 L459	T45-P147 WeakPolarHBondContact O-CB 3.12Å; E46-P147 HydrophobicContact CG-CB 4.15Å; P147-V442 WeakPolarHBondContact O-CG1 3.31Å; P147-L453 HydrophobicContact CG-CD1 3.83Å; P147-L459 HydrophobicContact CG-CD1 4.24Å; P147-L459 HydrophobicContact CG-CD2 3.8Å; P147-L459 HydrophobicContact CG-CG 4.29Å
148	F	87.2	Confident	83.6	Confident	12 Å²	12	36.3 Å²	36.3	5%	0.053	19%	0.191	C	C	.	.			trans	-106.3	165.3	-177.7	58.7	-91.6	0	0	0	109.5	W130 L134 T146 R150 V442 P444	W130-F148 AromaticContact CH2-CD2 3.55Å; W130-F148 HydrophobicContact CH2-CD2 3.55Å; W130-F148 AromaticContact CH2-CE2 3.8Å; W130-F148 HydrophobicContact CH2-CE2 3.8Å; W130-F148 HydrophobicContact CH2-CG 4.38Å; W130-F148 HydrophobicContact CZ2-CD2 4.42Å; W130-F148 HydrophobicContact CZ3-CD2 4.15Å; W130-F148 HydrophobicContact CZ3-CE2 4Å; L134-F148 HydrophobicContact CD1-CD1 4.2Å; L134-F148 HydrophobicContact CD1-CD2 4.43Å; L134-F148 HydrophobicContact CD1-CE1 3.94Å; L134-F148 HydrophobicContact CD1-CE2 4.17Å; L134-F148 HydrophobicContact CD1-CG 4.44Å; L134-F148 HydrophobicContact CD1-CZ 3.91Å; T146-F148 PolarHBondContact O-N 3.32Å; F148-R150 HydrophobicContact CD2-CG 4.18Å; F148-R150 HydrophobicContact CE2-CG 3.79Å; F148-R150 HydrophobicContact CZ-CG 4.33Å; F148-R150 PolarHBondContact O-N 2.81Å; F148-V442 WeakPolarHBondContact CA-O 3.19Å; F148-P444 HydrophobicContact CB-CB 4.34Å
149	E	89.2	Confident	84.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.			trans	-67.7	117.5	176.5	-177.1	54.6	-109.3	0	0	111.3	S43 V44 N151 F154 W155 L441 V442	S43-E149 VanDerWaalsContact CA-OE2 3.27Å; S43-E149 WeakPolarHBondContact CA-OE2 3.38Å; S43-E149 WeakPolarHBondContact CB-OE2 3.38Å; S43-E149 PolarHBondContact OG-OE2 2.8Å; V44-E149 PolarHBondContact N-OE1 3.48Å; V44-E149 PolarHBondContact N-OE2 2.85Å; E149-N151 HydrophobicContact CG-CB 4.48Å; E149-N151 WeakPolarHBondContact OE1-CB 3.34Å; E149-N151 PolarHBondContact OE1-N 2.68Å; E149-F154 HydrophobicContact CG-CB 3.52Å; E149-F154 HydrophobicContact CG-CD2 4.42Å; E149-F154 HydrophobicContact CG-CG 4Å; E149-W155 PolarHBondContact O-NE1 3.15Å; E149-L441 HydrophobicContact CB-CD2 4.45Å; E149-L441 HydrophobicContact CG-CD2 4.26Å; E149-V442 PolarHBondContact N-O 3.01Å
150	R	86.6	Confident	85	Confident	35 Å²	35	28.9 Å²	28.9	13%	0.132	15%	0.152	C	C	.	.			trans	-91.9	-10.9	-179.2	-66.5	178	175.8	-175.9	-5.5	113	V44 E52 F127 F148	V44-R150 PolarHBondContact O-N 2.83Å; E52-R150 IonicContact OE1-CZ 3.83Å; E52-R150 IonicContact OE1-NH1 2.69Å; E52-R150 IonicContact OE2-CZ 3.39Å; E52-R150 IonicContact OE2-NH1 2.95Å; E52-R150 PolarHBondContact OE2-NH1 2.76Å; E52-R150 IonicContact OE2-NH2 3.3Å; F127-R150 WeakPolarHBondContact CE1-O 3.25Å; F127-R150 WeakPolarHBondContact CZ-O 3.45Å; F148-R150 HydrophobicContact CD2-CG 4.18Å; F148-R150 HydrophobicContact CE2-CG 3.79Å; F148-R150 HydrophobicContact CZ-CG 4.33Å; F148-R150 PolarHBondContact O-N 2.81Å
151	N	87.7	Confident	85.7	Confident	45 Å²	45	25.4 Å²	25.4	24%	0.241	14%	0.137	C	C	.	.			trans	-84.8	120.2	177.7	-171.7	-8.2	0	0	0	111.5	H42 E149 E153 F154	H42-N151 PolarHBondContact O-ND2 3.44Å; E149-N151 HydrophobicContact CG-CB 4.48Å; E149-N151 WeakPolarHBondContact OE1-CB 3.34Å; E149-N151 PolarHBondContact OE1-N 2.68Å; N151-E153 PolarHBondContact O-N 2.87Å; N151-E153 WeakPolarHBondContact OD1-CB 3.47Å; N151-E153 PolarHBondContact OD1-N 3.46Å; N151-F154 HydrophobicContact CB-CD2 4.08Å; N151-F154 PolarHBondContact O-N 2.88Å
152	L	90.8	Very high	86.9	Confident	10 Å²	10	19.3 Å²	19.3	5%	0.052	10%	0.104	C	C	.	.	H	α-helix	trans	-57.6	-34.5	176.9	176.4	60.4	0	0	0	112.6	L59 K124 F127 F154 W155 R156 W159	L59-L152 HydrophobicContact CD2-CD2 4.39Å; K124-L152 HydrophobicContact CG-CD2 3.79Å; F127-L152 HydrophobicContact CB-CD1 3.79Å; F127-L152 HydrophobicContact CD1-CB 4.11Å; F127-L152 HydrophobicContact CD1-CD1 4.27Å; F127-L152 HydrophobicContact CD2-CD1 3.85Å; F127-L152 HydrophobicContact CE1-CB 4.16Å; F127-L152 HydrophobicContact CG-CB 4.39Å; F127-L152 HydrophobicContact CG-CD1 3.72Å; L152-F154 PolarHBondContact O-N 3.43Å; L152-W155 WeakPolarHBondContact O-CB 3.43Å; L152-W155 PolarHBondContact O-N 2.77Å; L152-R156 HydrophobicContact CG-CG 4.42Å; L152-R156 PolarHBondContact O-N 3.1Å; L152-W159 HydrophobicContact CD1-CH2 3.78Å; L152-W159 HydrophobicContact CD1-CZ3 4.11Å
153	E	89	Confident	88	Confident	23 Å²	23	20 Å²	20	11%	0.107	10%	0.095	C	C	.	.	H	α-helix	trans	-61.2	-35.7	-175	-172.8	51.9	-139.8	0	0	112	V41 N151 R156 Q157	V41-E153 HydrophobicContact CG1-CB 4.24Å; V41-E153 HydrophobicContact CG1-CG 4.05Å; V41-E153 HydrophobicContact CG2-CG 4.47Å; N151-E153 PolarHBondContact O-N 2.87Å; N151-E153 WeakPolarHBondContact OD1-CB 3.47Å; N151-E153 PolarHBondContact OD1-N 3.46Å; E153-R156 WeakPolarHBondContact O-CB 3Å; E153-R156 PolarHBondContact O-N 3.08Å; E153-R156 WeakPolarHBondContact OE2-CD 3.44Å; E153-R156 IonicContact OE2-NH1 3.77Å; E153-Q157 WeakPolarHBondContact O-CG 3.39Å; E153-Q157 PolarHBondContact O-N 3.29Å; E153-Q157 PolarHBondContact OE1-NE2 2.91Å
154	F	90.4	Very high	88.9	Confident	3 Å²	3	26.7 Å²	26.7	1%	0.013	12%	0.119	C	C	.	.	H	α-helix	trans	-68.2	-38.6	176.1	-90.3	-89.8	0	0	0	112.4	V41 H42 E149 N151 L152 R156 Q157 L158 P439 L441	V41-F154 HydrophobicContact CG1-CD2 4.02Å; V41-F154 HydrophobicContact CG1-CE2 3.59Å; V41-F154 HydrophobicContact CG1-CZ 4.42Å; H42-F154 VanDerWaalsContact C-CE2 3.49Å; H42-F154 WeakPolarHBondContact O-CE2 3.39Å; E149-F154 HydrophobicContact CG-CB 3.52Å; E149-F154 HydrophobicContact CG-CD2 4.42Å; E149-F154 HydrophobicContact CG-CG 4Å; N151-F154 HydrophobicContact CB-CD2 4.08Å; N151-F154 PolarHBondContact O-N 2.88Å; L152-F154 PolarHBondContact O-N 3.43Å; F154-R156 VanDerWaalsContact C-N 3.33Å; F154-Q157 WeakPolarHBondContact O-CB 3.31Å; F154-Q157 PolarHBondContact O-N 3.13Å; F154-L158 PolarHBondContact O-N 2.8Å; F154-P439 HydrophobicContact CD1-CB 3.81Å; F154-P439 HydrophobicContact CD1-CG 3.96Å; F154-P439 HydrophobicContact CE1-CB 3.74Å; F154-P439 HydrophobicContact CE1-CG 4.34Å; F154-L441 HydrophobicContact CB-CD2 3.52Å; F154-L441 HydrophobicContact CD1-CD2 3.85Å; F154-L441 HydrophobicContact CG-CD2 4.14Å
155	W	93.5	Very high	89.8	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.9	-33.3	173.4	-68.3	101.5	0	0	0	112.5	I104 P105 F127 W130 E149 L152 Q157 L158 W159 M443	I104-W155 HydrophobicContact CG2-CE3 4.22Å; I104-W155 HydrophobicContact CG2-CH2 4.37Å; I104-W155 HydrophobicContact CG2-CZ3 3.61Å; P105-W155 HydrophobicContact CG-CB 4.39Å; P105-W155 HydrophobicContact CG-CD2 3.48Å; P105-W155 VanDerWaalsContact CG-CD2 3.48Å; P105-W155 HydrophobicContact CG-CE3 3.5Å; P105-W155 HydrophobicContact CG-CG 3.93Å; P105-W155 HydrophobicContact CG-CH2 4.4Å; P105-W155 HydrophobicContact CG-CZ2 4.39Å; P105-W155 HydrophobicContact CG-CZ3 4.02Å; F127-W155 AromaticContact CE2-CD1 3.34Å; F127-W155 HydrophobicContact CE2-CG 4.07Å; F127-W155 AromaticContact CE2-NE1 3.63Å; F127-W155 AromaticContact CZ-CD1 3.95Å; W130-W155 AromaticContact CH2-CE2 3.82Å; W130-W155 HydrophobicContact CH2-CH2 4.38Å; W130-W155 AromaticContact CH2-CZ2 3.5Å; W130-W155 HydrophobicContact CH2-CZ2 3.5Å; W130-W155 AromaticContact CH2-NE1 3.97Å; W130-W155 HydrophobicContact CZ2-CH2 4.4Å; W130-W155 AromaticContact CZ2-CZ2 3.93Å; W130-W155 HydrophobicContact CZ2-CZ2 3.93Å; W130-W155 HydrophobicContact CZ3-CZ2 4.35Å; E149-W155 PolarHBondContact O-NE1 3.15Å; L152-W155 WeakPolarHBondContact O-CB 3.43Å; L152-W155 PolarHBondContact O-N 2.77Å; W155-Q157 VanDerWaalsContact C-N 3.28Å; W155-Q157 PolarHBondContact O-N 2.94Å; W155-L158 HydrophobicContact CE3-CD2 3.64Å; W155-L158 HydrophobicContact CZ3-CD2 3.63Å; W155-L158 VanDerWaalsContact O-CB 3.3Å; W155-L158 WeakPolarHBondContact O-CB 3.13Å; W155-L158 PolarHBondContact O-N 3.4Å; W155-L158 VanDerWaalsContact O-N 3.14Å; W155-W159 VanDerWaalsContact O-CG 3.32Å; W155-W159 PolarHBondContact O-N 2.63Å; W155-M443 HydrophobicContact CH2-CG 4.38Å
156	R	93.8	Very high	90.5	Very high	26 Å²	26	24.6 Å²	24.6	10%	0.098	11%	0.106	C	C	.	.	H	α-helix	trans	-60.8	-38.7	170.6	-70.2	173.9	163.6	159.6	2	112.3	D120 E123 L152 E153 F154 L158 W159 R160	D120-R156 IonicContact OD1-CZ 3.42Å; D120-R156 IonicContact OD1-NH1 2.74Å; D120-R156 PolarHBondContact OD1-NH1 3.14Å; D120-R156 IonicContact OD1-NH2 2.98Å; D120-R156 PolarHBondContact OD1-NH2 3.1Å; E123-R156 IonicContact OE2-CZ 3.93Å; E123-R156 VanDerWaalsContact OE2-CZ 3.25Å; E123-R156 IonicContact OE2-NE 3.83Å; E123-R156 PolarHBondContact OE2-NE 2.98Å; E123-R156 IonicContact OE2-NH2 3.24Å; E123-R156 PolarHBondContact OE2-NH2 3.12Å; L152-R156 HydrophobicContact CG-CG 4.42Å; L152-R156 PolarHBondContact O-N 3.1Å; E153-R156 WeakPolarHBondContact O-CB 3Å; E153-R156 PolarHBondContact O-N 3.08Å; E153-R156 WeakPolarHBondContact OE2-CD 3.44Å; E153-R156 IonicContact OE2-NH1 3.77Å; F154-R156 VanDerWaalsContact C-N 3.33Å; R156-L158 VanDerWaalsContact C-N 3.31Å; R156-L158 PolarHBondContact O-N 2.9Å; R156-W159 HydrophobicContact CB-CE3 4.42Å; R156-W159 HydrophobicContact CG-CE3 3.95Å; R156-W159 HydrophobicContact CG-CZ3 3.91Å; R156-W159 PolarHBondContact O-N 3.43Å; R156-R160 VanDerWaalsContact O-CG 3.31Å; R156-R160 WeakPolarHBondContact O-CG 3.35Å; R156-R160 PolarHBondContact O-N 3.26Å
157	Q	93.2	Very high	91.3	Very high	5 Å²	5	24.6 Å²	24.6	2%	0.023	11%	0.106	C	C	.	.	H	α-helix	trans	-61.8	-42	175.1	-51.7	-63.4	-60.6	0	0	110.6	E153 F154 W155 R160 V161 P439	E153-Q157 WeakPolarHBondContact O-CG 3.39Å; E153-Q157 PolarHBondContact O-N 3.29Å; E153-Q157 PolarHBondContact OE1-NE2 2.91Å; F154-Q157 WeakPolarHBondContact O-CB 3.31Å; F154-Q157 PolarHBondContact O-N 3.13Å; W155-Q157 VanDerWaalsContact C-N 3.28Å; W155-Q157 PolarHBondContact O-N 2.94Å; Q157-R160 PolarHBondContact O-N 3.06Å; Q157-V161 WeakPolarHBondContact O-CG2 3.12Å; Q157-V161 PolarHBondContact O-N 3.03Å; Q157-V161 VanDerWaalsContact O-N 3.16Å; Q157-P439 HydrophobicContact CB-CG 3.67Å; Q157-P439 HydrophobicContact CG-CG 3.98Å
158	L	94.3	Very high	92	Very high	0 Å²	0	24 Å²	24	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.9	-51.3	174.4	-175.8	66.4	0	0	0	111.7	I104 F154 W155 R156 R160 V161 V162 I392 L441	I104-L158 HydrophobicContact CG2-CD2 4.09Å; F154-L158 PolarHBondContact O-N 2.8Å; W155-L158 HydrophobicContact CE3-CD2 3.64Å; W155-L158 HydrophobicContact CZ3-CD2 3.63Å; W155-L158 VanDerWaalsContact O-CB 3.3Å; W155-L158 WeakPolarHBondContact O-CB 3.13Å; W155-L158 PolarHBondContact O-N 3.4Å; W155-L158 VanDerWaalsContact O-N 3.14Å; R156-L158 VanDerWaalsContact C-N 3.31Å; R156-L158 PolarHBondContact O-N 2.9Å; L158-R160 VanDerWaalsContact C-N 3.3Å; L158-R160 PolarHBondContact O-N 3.15Å; L158-V161 PolarHBondContact O-N 3.23Å; L158-V161 VanDerWaalsContact O-N 3.09Å; L158-V162 HydrophobicContact CD1-CG2 4.41Å; L158-V162 HydrophobicContact CG-CG2 4.44Å; L158-V162 WeakPolarHBondContact O-CG2 3.38Å; L158-V162 PolarHBondContact O-N 2.93Å; L158-I392 HydrophobicContact CD1-CB 4.47Å; L158-I392 HydrophobicContact CD1-CD1 3.66Å; L158-I392 HydrophobicContact CD1-CG1 4.06Å; L158-I392 HydrophobicContact CD1-CG2 3.56Å; L158-L441 HydrophobicContact CB-CD1 3.62Å; L158-L441 HydrophobicContact CD1-CD1 3.91Å; L158-L441 HydrophobicContact CD2-CD1 4.37Å; L158-L441 HydrophobicContact CG-CD1 4.18Å
159	W	95.2	Very high	92.5	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-59	-42.9	-177.2	-62	-28.9	0	0	0	112.1	P105 R107 E123 L152 W155 R156 V161 V162 E163 Y188	P105-W159 HydrophobicContact CB-CZ2 4.22Å; P105-W159 PolarHBondContact O-NE1 2.79Å; R107-W159 HydrophobicContact CB-CB 4.33Å; R107-W159 HydrophobicContact CB-CD2 3.74Å; R107-W159 HydrophobicContact CB-CE3 4.17Å; R107-W159 HydrophobicContact CB-CG 3.83Å; R107-W159 HydrophobicContact CG-CB 4.48Å; R107-W159 HydrophobicContact CG-CD2 3.85Å; R107-W159 HydrophobicContact CG-CE3 3.75Å; R107-W159 HydrophobicContact CG-CG 4.21Å; R107-W159 HydrophobicContact CG-CZ3 4.24Å; E123-W159 HydrophobicContact CB-CH2 4.23Å; E123-W159 HydrophobicContact CB-CZ3 3.95Å; E123-W159 HydrophobicContact CG-CH2 4.28Å; E123-W159 HydrophobicContact CG-CZ3 3.68Å; L152-W159 HydrophobicContact CD1-CH2 3.78Å; L152-W159 HydrophobicContact CD1-CZ3 4.11Å; W155-W159 VanDerWaalsContact O-CG 3.32Å; W155-W159 PolarHBondContact O-N 2.63Å; R156-W159 HydrophobicContact CB-CE3 4.42Å; R156-W159 HydrophobicContact CG-CE3 3.95Å; R156-W159 HydrophobicContact CG-CZ3 3.91Å; R156-W159 PolarHBondContact O-N 3.43Å; W159-V161 VanDerWaalsContact C-N 3.32Å; W159-V161 PolarHBondContact O-N 3.35Å; W159-V162 PolarHBondContact O-N 3.2Å; W159-E163 WeakPolarHBondContact O-CB 3.33Å; W159-E163 WeakPolarHBondContact O-CG 3.36Å; W159-E163 PolarHBondContact O-N 3.01Å; W159-Y188 AromaticContact CD1-CZ 4Å
160	R	93.7	Very high	92.8	Very high	92 Å²	92	23.5 Å²	23.5	35%	0.347	10%	0.1	S	C	.	.	H	α-helix	trans	-61.6	-38.7	176.3	-71.1	173.7	-179.4	164.4	0.1	112.5	R156 Q157 L158 R164 F424	R156-R160 VanDerWaalsContact O-CG 3.31Å; R156-R160 WeakPolarHBondContact O-CG 3.35Å; R156-R160 PolarHBondContact O-N 3.26Å; Q157-R160 PolarHBondContact O-N 3.06Å; L158-R160 VanDerWaalsContact C-N 3.3Å; L158-R160 PolarHBondContact O-N 3.15Å; R160-R164 WeakPolarHBondContact O-CB 3.33Å; R160-R164 VanDerWaalsContact O-CG 3.31Å; R160-R164 WeakPolarHBondContact O-CG 3.31Å; R160-R164 PolarHBondContact O-N 3.38Å; R160-R164 VanDerWaalsContact O-N 3.15Å; R160-F424 HydrophobicContact CB-CD1 4.39Å; R160-F424 HydrophobicContact CB-CE1 4.33Å
161	V	94.3	Very high	93.3	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-66	-50	176.9	172.4	0	0	0	0	109.9	Q157 L158 W159 E163 R164 S165 I392 F424 C438	Q157-V161 WeakPolarHBondContact O-CG2 3.12Å; Q157-V161 PolarHBondContact O-N 3.03Å; Q157-V161 VanDerWaalsContact O-N 3.16Å; L158-V161 PolarHBondContact O-N 3.23Å; L158-V161 VanDerWaalsContact O-N 3.09Å; W159-V161 VanDerWaalsContact C-N 3.32Å; W159-V161 PolarHBondContact O-N 3.35Å; V161-E163 VanDerWaalsContact C-N 3.32Å; V161-E163 PolarHBondContact O-N 3.49Å; V161-R164 PolarHBondContact O-N 2.73Å; V161-S165 WeakPolarHBondContact O-CB 3.33Å; V161-S165 PolarHBondContact O-N 3.02Å; V161-S165 PolarHBondContact O-OG 2.94Å; V161-I392 HydrophobicContact CG1-CD1 4.2Å; V161-I392 HydrophobicContact CG1-CG1 4.09Å; V161-F424 HydrophobicContact CG2-CB 3.93Å; V161-F424 HydrophobicContact CG2-CG 4.45Å; V161-C438 HydrophobicContact CG2-CB 4.12Å
162	V	94.6	Very high	93.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.1	-39.1	-179.8	173.6	0	0	0	0	112.2	L158 W159 S165 Y188 V189 V192 K196 I392	L158-V162 HydrophobicContact CD1-CG2 4.41Å; L158-V162 HydrophobicContact CG-CG2 4.44Å; L158-V162 WeakPolarHBondContact O-CG2 3.38Å; L158-V162 PolarHBondContact O-N 2.93Å; W159-V162 PolarHBondContact O-N 3.2Å; V162-S165 PolarHBondContact O-OG 3.46Å; V162-Y188 HydrophobicContact CB-CE1 4.03Å; V162-Y188 HydrophobicContact CG1-CD1 4.1Å; V162-Y188 HydrophobicContact CG1-CE1 3.78Å; V162-Y188 HydrophobicContact CG2-CD1 4.22Å; V162-Y188 HydrophobicContact CG2-CE1 3.97Å; V162-V189 HydrophobicContact CG1-CG2 4.19Å; V162-V192 HydrophobicContact CG1-CB 4.47Å; V162-V192 HydrophobicContact CG1-CG2 4.13Å; V162-K196 PolarHBondContact O-NZ 3.48Å; V162-I392 HydrophobicContact CG2-CD1 3.89Å
163	E	92.8	Very high	93.9	Very high	63 Å²	63	19.2 Å²	19.2	29%	0.294	8%	0.08	S	C	.	.	H	α-helix	trans	-65.9	-44.1	176.7	-77.8	179	-177.9	0	0	112.6	R107 W110 W159 V161 K196	R107-E163 VanDerWaalsContact CD-OE1 3.28Å; R107-E163 WeakPolarHBondContact CD-OE1 3.48Å; R107-E163 IonicContact CZ-OE1 2.73Å; R107-E163 IonicContact CZ-OE2 3.25Å; R107-E163 IonicContact NE-OE1 2.64Å; R107-E163 IonicContact NH1-OE1 3.4Å; R107-E163 PolarHBondContact NH1-OE1 2.75Å; R107-E163 IonicContact NH1-OE2 2.88Å; R107-E163 PolarHBondContact NH1-OE2 3.13Å; W110-E163 PolarHBondContact NE1-OE1 2.9Å; W159-E163 WeakPolarHBondContact O-CB 3.33Å; W159-E163 WeakPolarHBondContact O-CG 3.36Å; W159-E163 PolarHBondContact O-N 3.01Å; V161-E163 VanDerWaalsContact C-N 3.32Å; V161-E163 PolarHBondContact O-N 3.49Å; E163-K196 PolarHBondContact O-NZ 2.82Å
164	R	91.4	Very high	94.1	Very high	147 Å²	147	18.1 Å²	18.1	56%	0.555	8%	0.075	S	C	*	.	H	α-helix	trans	-79.4	-28.6	-175.1	-75.2	-179.7	149.4	-178	-7.1	114.4	R160 V161 T388	R160-R164 WeakPolarHBondContact O-CB 3.33Å; R160-R164 VanDerWaalsContact O-CG 3.31Å; R160-R164 WeakPolarHBondContact O-CG 3.31Å; R160-R164 PolarHBondContact O-N 3.38Å; R160-R164 VanDerWaalsContact O-N 3.15Å; V161-R164 PolarHBondContact O-N 2.73Å; R164-T388 WeakPolarHBondContact O-CB 3.45Å; R164-T388 WeakPolarHBondContact O-CG2 3.39Å
165	S	93.3	Very high	94.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.078	C	C	.	.			trans	-81.8	137.5	-177.7	58.3	0	0	0	0	111.6	V161 V162 V168 K196 T388	V161-S165 WeakPolarHBondContact O-CB 3.33Å; V161-S165 PolarHBondContact O-N 3.02Å; V161-S165 PolarHBondContact O-OG 2.94Å; V162-S165 PolarHBondContact O-OG 3.46Å; S165-V168 WeakPolarHBondContact OG-CG2 3.46Å; S165-K196 WeakPolarHBondContact O-CD 3.47Å; S165-K196 WeakPolarHBondContact O-CE 3.48Å; S165-K196 PolarHBondContact O-NZ 3.33Å; S165-T388 CarbonylContact C-O 3.44Å; S165-T388 WeakPolarHBondContact CA-O 3.36Å
166	D	92.7	Very high	94.2	Very high	39 Å²	39	21.1 Å²	21.1	21%	0.209	9%	0.088	C	C	.	.	S	Bend	trans	-80	-38.7	166.1	-50.6	-83.6	0	0	0	110.8	K196 T197 P378 R381 L387 T388	D166-K196 WeakPolarHBondContact O-CA 3.4Å; D166-T197 PolarHBondContact O-N 3.27Å; D166-P378 HydrophobicContact CB-CG 4.3Å; D166-R381 IonicContact OD1-CZ 3.7Å; D166-R381 IonicContact OD1-NE 3.51Å; D166-R381 IonicContact OD1-NH2 3.34Å; D166-R381 PolarHBondContact OD1-NH2 3.1Å; D166-R381 IonicContact OD2-CZ 2.81Å; D166-R381 IonicContact OD2-NE 3.36Å; D166-R381 IonicContact OD2-NH2 2.73Å; D166-R381 PolarHBondContact OD2-NH2 2.81Å; D166-L387 HydrophobicContact CB-CD1 3.88Å; D166-T388 PolarHBondContact N-O 3.02Å; D166-T388 PolarHBondContact OD2-N 3.03Å
167	V	94.1	Very high	94.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.4	178.8	-178.6	0	0	0	0	108.7	V169 V199 L372 Y376 L387 T388 V389 G390	V167-V169 HydrophobicContact CG1-CG2 4.28Å; V167-V199 HydrophobicContact CG1-CG2 4.35Å; V167-L372 HydrophobicContact CG1-CD2 4.29Å; V167-Y376 WeakPolarHBondContact CG2-O 3.44Å; V167-L387 HydrophobicContact CG2-CD1 4.22Å; V167-T388 PolarHBondContact N-O 3.36Å; V167-V389 HydrophobicContact CB-CG1 4.43Å; V167-V389 HydrophobicContact CB-CG2 4.29Å; V167-V389 HydrophobicContact CG1-CG1 4.45Å; V167-V389 CarbonylContact O-C 3.47Å; V167-V389 WeakPolarHBondContact O-CA 3.27Å; V167-G390 PolarHBondContact O-N 3.09Å
168	V	95.4	Very high	94	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.9	176.2	175.2	0	0	0	0	109.1	S165 V189 T197 C198 V199 I392	S165-V168 WeakPolarHBondContact OG-CG2 3.46Å; V168-V189 HydrophobicContact CB-CG1 4.47Å; V168-V189 HydrophobicContact CB-CG2 4.01Å; V168-V189 HydrophobicContact CG1-CG2 4.12Å; V168-V189 HydrophobicContact CG2-CG1 4.14Å; V168-V189 HydrophobicContact CG2-CG2 3.82Å; V168-T197 PolarHBondContact N-O 2.99Å; V168-C198 CarbonylContact O-C 3.53Å; V168-C198 WeakPolarHBondContact O-CA 3.39Å; V168-V199 PolarHBondContact O-N 3.02Å; V168-I392 HydrophobicContact CG1-CD1 3.44Å; V168-I392 VanDerWaalsContact CG1-CD1 3.44Å; V168-I392 HydrophobicContact CG1-CG1 4.27Å
169	V	96.3	Very high	93.8	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.012	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	111.8	177.7	-178.3	0	0	0	0	109.4	V167 V171 V199 L201 L372 V389 G390 F391 I392	V167-V169 HydrophobicContact CG1-CG2 4.28Å; V169-V171 HydrophobicContact CG1-CG2 4.39Å; V169-V199 CarbonylContact C-O 3.58Å; V169-V199 VanDerWaalsContact CA-O 3.31Å; V169-V199 WeakPolarHBondContact CA-O 3.48Å; V169-L201 HydrophobicContact CG1-CB 3.52Å; V169-L201 HydrophobicContact CG1-CD2 4.21Å; V169-L201 HydrophobicContact CG1-CG 4.46Å; V169-L372 HydrophobicContact CG2-CD2 3.74Å; V169-V389 HydrophobicContact CG2-CG1 3.54Å; V169-G390 PolarHBondContact N-O 2.95Å; V169-F391 HydrophobicContact CB-CD1 4.14Å; V169-F391 HydrophobicContact CB-CE1 4.23Å; V169-F391 HydrophobicContact CG1-CD1 4.03Å; V169-F391 HydrophobicContact CG1-CE1 3.96Å; V169-F391 WeakPolarHBondContact O-CA 3.43Å; V169-I392 PolarHBondContact O-N 3.26Å
170	Q	96.2	Very high	93.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	109.6	172.4	-176.7	167.7	20.7	0	0	110.1	V172 Y180 S182 L185 V199 V200 L201 I392	Q170-V172 HydrophobicContact CG-CG1 4.02Å; Q170-Y180 PolarHBondContact NE2-O 3.19Å; Q170-S182 PolarHBondContact NE2-OG 2.88Å; Q170-L185 HydrophobicContact CB-CD2 4.27Å; Q170-L185 HydrophobicContact CG-CD2 4.24Å; Q170-V199 PolarHBondContact N-O 3.07Å; Q170-V200 HydrophobicContact CB-CG2 4.47Å; Q170-V200 CarbonylContact O-C 3.5Å; Q170-V200 WeakPolarHBondContact O-CA 3.07Å; Q170-L201 PolarHBondContact O-N 3.21Å; Q170-I392 WeakPolarHBondContact CA-O 3.31Å
171	V	96.8	Very high	93.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	118.3	178.4	-171.8	0	0	0	0	110	V169 L201 N203 F391 I392 V397 K399	V169-V171 HydrophobicContact CG1-CG2 4.39Å; V171-L201 WeakPolarHBondContact CA-O 3.48Å; V171-L201 HydrophobicContact CG2-CB 4.46Å; V171-L201 HydrophobicContact CG2-CD2 4.29Å; V171-N203 HydrophobicContact CG1-CB 3.82Å; V171-F391 HydrophobicContact CG2-CD1 3.71Å; V171-I392 PolarHBondContact N-O 3.39Å; V171-V397 HydrophobicContact CB-CG2 4.07Å; V171-V397 HydrophobicContact CG1-CB 4.43Å; V171-V397 HydrophobicContact CG1-CG2 3.84Å; V171-K399 HydrophobicContact CB-CG 3.75Å; V171-K399 HydrophobicContact CG1-CG 4.2Å; V171-K399 HydrophobicContact CG2-CG 3.83Å
172	V	95.7	Very high	93.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	153.9	179.6	-52.2	0	0	0	0	110.6	Q170 P177 V200 L201 V202 N203	Q170-V172 HydrophobicContact CG-CG1 4.02Å; V172-P177 HydrophobicContact CG2-CB 4.22Å; V172-V200 HydrophobicContact CB-CG1 4.45Å; V172-V200 HydrophobicContact CG1-CG1 3.89Å; V172-V200 HydrophobicContact CG2-CG1 3.65Å; V172-L201 PolarHBondContact N-O 3.09Å; V172-V202 HydrophobicContact CG2-CB 4.1Å; V172-V202 HydrophobicContact CG2-CG1 4.23Å; V172-V202 HydrophobicContact CG2-CG2 3.78Å; V172-N203 PolarHBondContact O-N 2.71Å
173	D	95.1	Very high	93.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.3	175.8	-166.7	-47	0	0	0	110.3	R175 Q176 P177 Y180 K204 V397	D173-R175 PolarHBondContact O-N 3.45Å; D173-R175 VanDerWaalsContact O-N 3.1Å; D173-R175 WeakPolarHBondContact OD1-CB 3.5Å; D173-R175 WeakPolarHBondContact OD1-CG 3.35Å; D173-R175 IonicContact OD1-CZ 2.72Å; D173-R175 PolarHBondContact OD1-N 3.23Å; D173-R175 VanDerWaalsContact OD1-N 3.08Å; D173-R175 IonicContact OD1-NE 2.7Å; D173-R175 PolarHBondContact OD1-NE 3.35Å; D173-R175 IonicContact OD1-NH2 3.39Å; D173-R175 IonicContact OD2-CZ 3.98Å; D173-R175 IonicContact OD2-NE 3.56Å; D173-R175 PolarHBondContact OD2-NE 2.94Å; D173-R175 IonicContact OD2-NH2 3.98Å; D173-R175 PolarHBondContact OD2-NH2 3.2Å; D173-Q176 CarbonylContact O-C 3.45Å; D173-Q176 PolarHBondContact O-N 2.9Å; D173-P177 WeakPolarHBondContact O-CA 3.45Å; D173-Y180 HydrophobicContact CB-CD2 3.64Å; D173-Y180 HydrophobicContact CB-CE2 3.45Å; D173-Y180 VanDerWaalsContact CB-CE2 3.45Å; D173-Y180 HydrophobicContact CB-CG 4.39Å; D173-K204 WeakPolarHBondContact OD2-CD 3.47Å; D173-K204 WeakPolarHBondContact OD2-CE 3.48Å; D173-K204 IonicContact OD2-NZ 2.88Å; D173-K204 PolarHBondContact OD2-NZ 2.82Å; D173-V397 HydrophobicContact CB-CG1 4.45Å
174	A	94.5	Very high	93.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.4	-178.3	0	0	0	0	0	114.6	P177 V202 N203 K204 L208	A174-P177 WeakPolarHBondContact O-CD 3.24Å; A174-V202 HydrophobicContact CB-CG1 3.73Å; A174-N203 VanDerWaalsContact CB-O 3.25Å; A174-N203 WeakPolarHBondContact CB-O 3.28Å; A174-N203 PolarHBondContact N-O 3.46Å; A174-K204 WeakPolarHBondContact CB-O 3.44Å; A174-L208 HydrophobicContact CB-CD1 3.84Å; A174-L208 HydrophobicContact CB-CG 4.15Å
175	R	92.1	Very high	93.3	Very high	19 Å²	19	14.1 Å²	14.1	7%	0.072	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-39.2	-178.9	-65.4	174	-66.5	173.5	5.2	112.4	D173 F207 V543 L548 Y551	D173-R175 PolarHBondContact O-N 3.45Å; D173-R175 VanDerWaalsContact O-N 3.1Å; D173-R175 WeakPolarHBondContact OD1-CB 3.5Å; D173-R175 WeakPolarHBondContact OD1-CG 3.35Å; D173-R175 IonicContact OD1-CZ 2.72Å; D173-R175 PolarHBondContact OD1-N 3.23Å; D173-R175 VanDerWaalsContact OD1-N 3.08Å; D173-R175 IonicContact OD1-NE 2.7Å; D173-R175 PolarHBondContact OD1-NE 3.35Å; D173-R175 IonicContact OD1-NH2 3.39Å; D173-R175 IonicContact OD2-CZ 3.98Å; D173-R175 IonicContact OD2-NE 3.56Å; D173-R175 PolarHBondContact OD2-NE 2.94Å; D173-R175 IonicContact OD2-NH2 3.98Å; D173-R175 PolarHBondContact OD2-NH2 3.2Å; R175-F207 HydrophobicContact CG-CD2 3.87Å; R175-V543 PolarHBondContact NH1-O 3.22Å; R175-L548 HydrophobicContact CG-CD1 4.04Å; R175-Y551 WeakPolarHBondContact O-CD2 3.39Å; R175-Y551 PolarHBondContact O-N 3.38Å
176	Q	92.1	Very high	93.2	Very high	46 Å²	46	16 Å²	16	22%	0.215	9%	0.085	C	C	.	.	S	Bend	trans	-145.8	70.3	177.5	-166	178.8	-1.5	0	0	110	D173 L178 L179 Y180 Y551	D173-Q176 CarbonylContact O-C 3.45Å; D173-Q176 PolarHBondContact O-N 2.9Å; Q176-L178 PolarHBondContact O-N 2.66Å; Q176-L178 VanDerWaalsContact O-N 3.14Å; Q176-L179 HydrophobicContact CB-CB 4.4Å; Q176-L179 HydrophobicContact CG-CB 3.86Å; Q176-L179 PolarHBondContact O-N 2.92Å; Q176-L179 VanDerWaalsContact O-N 3.09Å; Q176-Y180 VanDerWaalsContact O-CD2 3.25Å; Q176-Y180 WeakPolarHBondContact O-CD2 3.39Å; Q176-Y551 HydrophobicContact CB-CD2 3.62Å; Q176-Y551 HydrophobicContact CB-CE2 4.07Å; Q176-Y551 HydrophobicContact CB-CG 4.27Å; Q176-Y551 HydrophobicContact CG-CD1 4.48Å; Q176-Y551 HydrophobicContact CG-CD2 3.63Å; Q176-Y551 HydrophobicContact CG-CE2 4.02Å; Q176-Y551 HydrophobicContact CG-CG 3.87Å
177	P	93.5	Very high	93.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-56	-38.4	-170.7	-25.6	34.4	0	0	0	113.2	V172 D173 A174 L179 Y180 Y181 W216 F220	V172-P177 HydrophobicContact CG2-CB 4.22Å; D173-P177 WeakPolarHBondContact O-CA 3.45Å; A174-P177 WeakPolarHBondContact O-CD 3.24Å; P177-L179 VanDerWaalsContact C-N 3.29Å; P177-L179 PolarHBondContact O-N 3.22Å; P177-Y180 PolarHBondContact O-N 3.19Å; P177-Y181 VanDerWaalsContact O-CB 3.28Å; P177-Y181 WeakPolarHBondContact O-CB 3.43Å; P177-Y181 PolarHBondContact O-N 3.47Å; P177-W216 HydrophobicContact CB-CE3 4.4Å; P177-W216 HydrophobicContact CB-CH2 4.3Å; P177-W216 HydrophobicContact CB-CZ3 4.1Å; P177-W216 HydrophobicContact CG-CD2 4.09Å; P177-W216 HydrophobicContact CG-CE3 4.07Å; P177-W216 HydrophobicContact CG-CH2 3.98Å; P177-W216 HydrophobicContact CG-CZ2 3.96Å; P177-W216 HydrophobicContact CG-CZ3 4.02Å; P177-F220 HydrophobicContact CB-CE2 4.38Å; P177-F220 HydrophobicContact CB-CZ 3.82Å
178	L	90.3	Very high	93.2	Very high	67 Å²	67	19.4 Å²	19.4	35%	0.351	10%	0.095	S	C	.	.	H	α-helix	trans	-62.8	-27.9	-179.1	-74.1	179.2	0	0	0	115	Q176 W216 Y219 P554	Q176-L178 PolarHBondContact O-N 2.66Å; Q176-L178 VanDerWaalsContact O-N 3.14Å; L178-W216 HydrophobicContact CD1-CH2 4.26Å; L178-W216 HydrophobicContact CG-CH2 4.06Å; L178-W216 HydrophobicContact CG-CZ3 4.14Å; L178-Y219 HydrophobicContact CD1-CE1 4.33Å; L178-Y219 HydrophobicContact CD2-CE1 3.78Å; L178-Y219 HydrophobicContact CG-CE1 4.33Å; L178-P554 HydrophobicContact CD1-CG 3.89Å
179	L	90	Very high	93.1	Very high	16 Å²	16	19.4 Å²	19.4	8%	0.084	10%	0.095	C	C	.	.	H	α-helix	trans	-72.7	-33.1	177.8	179.2	64.7	0	0	0	111.5	Q176 P177 A456 I458	Q176-L179 HydrophobicContact CB-CB 4.4Å; Q176-L179 HydrophobicContact CG-CB 3.86Å; Q176-L179 PolarHBondContact O-N 2.92Å; Q176-L179 VanDerWaalsContact O-N 3.09Å; P177-L179 VanDerWaalsContact C-N 3.29Å; P177-L179 PolarHBondContact O-N 3.22Å; L179-A456 HydrophobicContact CD2-CB 3.67Å; L179-I458 HydrophobicContact CD2-CD1 4.14Å; L179-I458 HydrophobicContact CG-CD1 4.42Å
180	Y	92.5	Very high	92.9	Very high	6 Å²	6	23.5 Å²	23.5	2%	0.024	11%	0.114	C	C	.	.	H	α-helix	trans	-96.8	-14.9	-176.5	-58.3	-77.3	0	0	0	113.3	Q170 D173 Q176 P177 Y394 V397 A456 I458	Q170-Y180 PolarHBondContact NE2-O 3.19Å; D173-Y180 HydrophobicContact CB-CD2 3.64Å; D173-Y180 HydrophobicContact CB-CE2 3.45Å; D173-Y180 VanDerWaalsContact CB-CE2 3.45Å; D173-Y180 HydrophobicContact CB-CG 4.39Å; Q176-Y180 VanDerWaalsContact O-CD2 3.25Å; Q176-Y180 WeakPolarHBondContact O-CD2 3.39Å; P177-Y180 PolarHBondContact O-N 3.19Å; Y180-Y394 HydrophobicContact CD1-CD1 4.04Å; Y180-Y394 HydrophobicContact CD1-CD2 4Å; Y180-Y394 AromaticContact CD1-CG 3.63Å; Y180-Y394 HydrophobicContact CD1-CG 3.63Å; Y180-Y394 HydrophobicContact CE1-CD1 4.47Å; Y180-Y394 HydrophobicContact CE1-CG 4.33Å; Y180-Y394 WeakPolarHBondContact O-CE2 3.42Å; Y180-V397 HydrophobicContact CD1-CG1 3.71Å; Y180-V397 HydrophobicContact CE1-CG1 3.9Å; Y180-V397 HydrophobicContact CG-CG1 4.2Å; Y180-A456 WeakPolarHBondContact OH-CB 3.44Å; Y180-A456 PolarHBondContact OH-O 2.97Å; Y180-I458 HydrophobicContact CD1-CD1 4.47Å; Y180-I458 HydrophobicContact CE1-CD1 3.89Å; Y180-I458 HydrophobicContact CE1-CG1 3.81Å
181	Y	92.7	Very high	92.8	Very high	28 Å²	28	28.8 Å²	28.8	11%	0.11	14%	0.139	C	C	.	.			trans	-81.6	135.1	176.4	177.9	-111.5	0	0	0	110.7	P177 V200 T225	P177-Y181 VanDerWaalsContact O-CB 3.28Å; P177-Y181 WeakPolarHBondContact O-CB 3.43Å; P177-Y181 PolarHBondContact O-N 3.47Å; Y181-V200 HydrophobicContact CD2-CG2 3.66Å; Y181-V200 HydrophobicContact CE2-CG2 3.52Å; Y181-T225 HydrophobicContact CE2-CG2 4.05Å; Y181-T225 PolarHBondContact OH-OG1 3.28Å
182	S	90.7	Very high	92.6	Very high	15 Å²	15	31.6 Å²	31.6	11%	0.105	16%	0.155	C	C	.	.			trans	-127.2	110.1	178.9	56	0	0	0	0	109.8	Q170 D184 L185 M443	Q170-S182 PolarHBondContact NE2-OG 2.88Å; S182-D184 PolarHBondContact O-N 3.29Å; S182-L185 PolarHBondContact O-N 3.31Å; S182-L185 VanDerWaalsContact OG-CB 3.3Å; S182-L185 WeakPolarHBondContact OG-CB 3.38Å; S182-M443 PolarHBondContact OG-SD 3.37Å
183	S	89.5	Confident	92.4	Very high	50 Å²	50	34.3 Å²	34.3	35%	0.35	17%	0.17	S	C	.	.	H	α-helix	trans	-64.6	-28.1	179.2	53	0	0	0	0	112.9	L185 R187	S183-L185 VanDerWaalsContact C-N 3.33Å; S183-R187 PolarHBondContact O-N 3.05Å
184	D	92.4	Very high	92.2	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-74.7	-21.6	179.1	-170.9	64.5	0	0	0	113.4	K103 I104 R106 S182 R187 Y188	K103-D184 WeakPolarHBondContact CA-OD2 3.43Å; I104-D184 WeakPolarHBondContact CB-OD2 3.5Å; I104-D184 PolarHBondContact N-OD2 3.07Å; R106-D184 IonicContact CZ-OD1 3.48Å; R106-D184 IonicContact CZ-OD2 3.86Å; R106-D184 IonicContact NH1-OD1 3.85Å; R106-D184 IonicContact NH1-OD2 2.66Å; R106-D184 PolarHBondContact NH1-OD2 3.13Å; R106-D184 IonicContact NH2-OD1 2.73Å; R106-D184 PolarHBondContact NH2-OD1 3.01Å; R106-D184 IonicContact NH2-OD2 3.32Å; R106-D184 PolarHBondContact NH2-OD2 2.87Å; S182-D184 PolarHBondContact O-N 3.29Å; D184-R187 PolarHBondContact O-N 2.97Å; D184-R187 IonicContact OD1-NH1 4Å; D184-Y188 WeakPolarHBondContact O-CB 3.3Å; D184-Y188 PolarHBondContact O-N 2.72Å
185	L	92.8	Very high	91.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.3	-42.7	174.8	-178.4	68.5	0	0	0	110.6	I104 Q170 S182 S183 R187 Y188 V189 I392 M443	I104-L185 HydrophobicContact CD1-CB 3.95Å; I104-L185 HydrophobicContact CD1-CD1 4.27Å; Q170-L185 HydrophobicContact CB-CD2 4.27Å; Q170-L185 HydrophobicContact CG-CD2 4.24Å; S182-L185 PolarHBondContact O-N 3.31Å; S182-L185 VanDerWaalsContact OG-CB 3.3Å; S182-L185 WeakPolarHBondContact OG-CB 3.38Å; S183-L185 VanDerWaalsContact C-N 3.33Å; L185-R187 VanDerWaalsContact C-N 3.35Å; L185-Y188 WeakPolarHBondContact O-CB 3.29Å; L185-Y188 PolarHBondContact O-N 2.7Å; L185-V189 WeakPolarHBondContact O-CG2 3.41Å; L185-V189 PolarHBondContact O-N 2.91Å; L185-I392 HydrophobicContact CD1-CD1 4.47Å; L185-I392 HydrophobicContact CD2-CB 4.49Å; L185-I392 HydrophobicContact CD2-CG2 4.1Å; L185-M443 HydrophobicContact CD1-CE 4.29Å; L185-M443 HydrophobicContact CD2-CE 4.12Å
186	D	91.5	Very high	91.9	Very high	41 Å²	41	42.4 Å²	42.4	22%	0.219	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-48	175.6	-172.2	25.2	0	0	0	111.2	Y188 V189 H190 C198	D186-Y188 VanDerWaalsContact C-N 3.33Å; D186-Y188 PolarHBondContact O-N 3.12Å; D186-V189 PolarHBondContact O-N 2.82Å; D186-H190 PolarHBondContact O-CD2 3.42Å; D186-H190 VanDerWaalsContact O-CD2 3.31Å; D186-H190 PolarHBondContact O-N 3.42Å; D186-H190 IonicContact OD1-CD2 3.56Å; D186-H190 PolarHBondContact OD1-CD2 3.08Å; D186-H190 IonicContact OD1-NE2 3.79Å; D186-H190 PolarHBondContact OD1-NE2 2.9Å; D186-C198 HydrophobicContact CB-CB 4.36Å; D186-C198 WeakPolarHBondContact OD1-CB 3.34Å
187	R	92.5	Very high	91.9	Very high	102 Å²	102	41.9 Å²	41.9	39%	0.385	22%	0.221	S	C	.	.	H	α-helix	trans	-57.7	-43.6	173.9	-166.8	-172.5	-68.5	157.6	-6.6	112.2	D100 S183 D184 L185 V189 H190 E191	D100-R187 IonicContact OD1-NH2 2.95Å; S183-R187 PolarHBondContact O-N 3.05Å; D184-R187 PolarHBondContact O-N 2.97Å; D184-R187 IonicContact OD1-NH1 4Å; L185-R187 VanDerWaalsContact C-N 3.35Å; R187-V189 PolarHBondContact O-N 3.33Å; R187-H190 PolarHBondContact O-N 3.23Å; R187-E191 WeakPolarHBondContact CG-OE1 3.42Å; R187-E191 VanDerWaalsContact O-CG 3.3Å; R187-E191 WeakPolarHBondContact O-CG 3.42Å; R187-E191 PolarHBondContact O-N 3.15Å
188	Y	94.3	Very high	91.9	Very high	8 Å²	8	42.4 Å²	42.4	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-43.8	178.6	-178.9	-134.8	0	0	0	112.6	W159 V162 D184 L185 D186 H190 E191 V192	W159-Y188 AromaticContact CD1-CZ 4Å; V162-Y188 HydrophobicContact CB-CE1 4.03Å; V162-Y188 HydrophobicContact CG1-CD1 4.1Å; V162-Y188 HydrophobicContact CG1-CE1 3.78Å; V162-Y188 HydrophobicContact CG2-CD1 4.22Å; V162-Y188 HydrophobicContact CG2-CE1 3.97Å; D184-Y188 WeakPolarHBondContact O-CB 3.3Å; D184-Y188 PolarHBondContact O-N 2.72Å; L185-Y188 WeakPolarHBondContact O-CB 3.29Å; L185-Y188 PolarHBondContact O-N 2.7Å; D186-Y188 VanDerWaalsContact C-N 3.33Å; D186-Y188 PolarHBondContact O-N 3.12Å; Y188-H190 VanDerWaalsContact C-N 3.32Å; Y188-H190 PolarHBondContact O-N 3.12Å; Y188-E191 PolarHBondContact O-N 2.83Å; Y188-V192 HydrophobicContact CD2-CG2 4.01Å; Y188-V192 HydrophobicContact CE1-CG2 4.49Å; Y188-V192 HydrophobicContact CE2-CG2 3.55Å; Y188-V192 WeakPolarHBondContact O-CG2 3.41Å; Y188-V192 PolarHBondContact O-N 3.35Å; Y188-V192 VanDerWaalsContact O-N 3.07Å
189	V	93.9	Very high	92.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-45.1	180	172.8	0	0	0	0	110.3	V162 V168 L185 D186 R187 V192 D193 K196	V162-V189 HydrophobicContact CG1-CG2 4.19Å; V168-V189 HydrophobicContact CB-CG1 4.47Å; V168-V189 HydrophobicContact CB-CG2 4.01Å; V168-V189 HydrophobicContact CG1-CG2 4.12Å; V168-V189 HydrophobicContact CG2-CG1 4.14Å; V168-V189 HydrophobicContact CG2-CG2 3.82Å; L185-V189 WeakPolarHBondContact O-CG2 3.41Å; L185-V189 PolarHBondContact O-N 2.91Å; D186-V189 PolarHBondContact O-N 2.82Å; R187-V189 PolarHBondContact O-N 3.33Å; V189-V192 PolarHBondContact O-N 2.93Å; V189-D193 PolarHBondContact O-N 3.38Å; V189-D193 VanDerWaalsContact O-N 3.16Å; V189-K196 HydrophobicContact CG1-CB 3.52Å; V189-K196 HydrophobicContact CG1-CD 4.37Å
190	H	92.9	Very high	92.4	Very high	88 Å²	88	38.4 Å²	38.4	41%	0.407	20%	0.204	S	C	.	.	H	α-helix	trans	-67.8	-31	176.2	-74.6	-57.9	0	0	0	114.1	D186 R187 Y188 D193 S194 K196	D186-H190 PolarHBondContact O-CD2 3.42Å; D186-H190 VanDerWaalsContact O-CD2 3.31Å; D186-H190 PolarHBondContact O-N 3.42Å; D186-H190 IonicContact OD1-CD2 3.56Å; D186-H190 PolarHBondContact OD1-CD2 3.08Å; D186-H190 IonicContact OD1-NE2 3.79Å; D186-H190 PolarHBondContact OD1-NE2 2.9Å; R187-H190 PolarHBondContact O-N 3.23Å; Y188-H190 VanDerWaalsContact C-N 3.32Å; Y188-H190 PolarHBondContact O-N 3.12Å; H190-D193 CarbonylContact O-C 3.56Å; H190-S194 PolarHBondContact O-N 3.26Å; H190-K196 PolarHBondContact CE1-O 2.82Å; H190-K196 VanDerWaalsContact CE1-O 3.25Å; H190-K196 PolarHBondContact ND1-O 3.47Å
191	E	93.2	Very high	92.6	Very high	111 Å²	111	38.2 Å²	38.2	52%	0.519	20%	0.203	S	C	.	.	H	α-helix	trans	-68.3	-34.1	173.6	-76	171.1	-149.5	0	0	112.6	R106 R187 Y188	R106-E191 IonicContact CZ-OE1 3.57Å; R106-E191 IonicContact CZ-OE2 3.84Å; R106-E191 IonicContact NE-OE1 3.83Å; R106-E191 IonicContact NE-OE2 3.38Å; R106-E191 PolarHBondContact NE-OE2 2.98Å; R106-E191 IonicContact NH2-OE1 2.67Å; R106-E191 PolarHBondContact NH2-OE1 3.16Å; R106-E191 IonicContact NH2-OE2 2.64Å; R187-E191 WeakPolarHBondContact CG-OE1 3.42Å; R187-E191 VanDerWaalsContact O-CG 3.3Å; R187-E191 WeakPolarHBondContact O-CG 3.42Å; R187-E191 PolarHBondContact O-N 3.15Å; Y188-E191 PolarHBondContact O-N 2.83Å
192	V	92.3	Very high	92.8	Very high	58 Å²	58	36.9 Å²	36.9	35%	0.352	20%	0.198	S	C	.	.	H	α-helix	trans	-73.2	-46.3	178.4	172.1	0	0	0	0	110.8	V162 Y188 V189	V162-V192 HydrophobicContact CG1-CB 4.47Å; V162-V192 HydrophobicContact CG1-CG2 4.13Å; Y188-V192 HydrophobicContact CD2-CG2 4.01Å; Y188-V192 HydrophobicContact CE1-CG2 4.49Å; Y188-V192 HydrophobicContact CE2-CG2 3.55Å; Y188-V192 WeakPolarHBondContact O-CG2 3.41Å; Y188-V192 PolarHBondContact O-N 3.35Å; Y188-V192 VanDerWaalsContact O-N 3.07Å; V189-V192 PolarHBondContact O-N 2.93Å
193	D	90.9	Very high	93	Very high	58 Å²	58	36.4 Å²	36.4	31%	0.31	19%	0.194	S	C	.	.			trans	-155.1	123.1	175.4	178.6	3	0	0	0	109.6	V189 H190 N195 K196	V189-D193 PolarHBondContact O-N 3.38Å; V189-D193 VanDerWaalsContact O-N 3.16Å; H190-D193 CarbonylContact O-C 3.56Å; D193-N195 PolarHBondContact O-N 2.82Å; D193-N195 WeakPolarHBondContact OD1-CB 3.25Å; D193-N195 PolarHBondContact OD1-N 2.87Å; D193-N195 PolarHBondContact OD1-ND2 3.02Å; D193-K196 HydrophobicContact CB-CD 3.82Å; D193-K196 HydrophobicContact CB-CG 3.85Å; D193-K196 PolarHBondContact O-N 3.39Å; D193-K196 VanDerWaalsContact O-N 3.15Å
194	S	90.7	Very high	93.2	Very high	92 Å²	92	35.8 Å²	35.8	64%	0.643	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.8	-179.1	55.8	0	0	0	0	113.3	H190 K196	H190-S194 PolarHBondContact O-N 3.26Å; S194-K196 VanDerWaalsContact C-N 3.33Å
195	N	90.2	Very high	93.2	Very high	81 Å²	81	35.5 Å²	35.5	43%	0.433	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-18	179.4	-62.1	-40.6	0	0	0	112.9	D193 P378	D193-N195 PolarHBondContact O-N 2.82Å; D193-N195 WeakPolarHBondContact OD1-CB 3.25Å; D193-N195 PolarHBondContact OD1-N 2.87Å; D193-N195 PolarHBondContact OD1-ND2 3.02Å; N195-P378 WeakPolarHBondContact O-CB 3.46Å
196	K	91.6	Very high	93	Very high	16 Å²	16	37.1 Å²	37.1	7%	0.07	19%	0.193	C	C	.	.			trans	-72.5	144.2	-178.1	-69.4	179.5	-179.1	178.6	0	110.7	V162 E163 S165 D166 V189 H190 D193 S194	V162-K196 PolarHBondContact O-NZ 3.48Å; E163-K196 PolarHBondContact O-NZ 2.82Å; S165-K196 WeakPolarHBondContact O-CD 3.47Å; S165-K196 WeakPolarHBondContact O-CE 3.48Å; S165-K196 PolarHBondContact O-NZ 3.33Å; D166-K196 WeakPolarHBondContact O-CA 3.4Å; V189-K196 HydrophobicContact CG1-CB 3.52Å; V189-K196 HydrophobicContact CG1-CD 4.37Å; H190-K196 PolarHBondContact CE1-O 2.82Å; H190-K196 VanDerWaalsContact CE1-O 3.25Å; H190-K196 PolarHBondContact ND1-O 3.47Å; D193-K196 HydrophobicContact CB-CD 3.82Å; D193-K196 HydrophobicContact CB-CG 3.85Å; D193-K196 PolarHBondContact O-N 3.39Å; D193-K196 VanDerWaalsContact O-N 3.15Å; S194-K196 VanDerWaalsContact C-N 3.33Å
197	T	91.8	Very high	92.9	Very high	35 Å²	35	36.1 Å²	36.1	22%	0.215	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.7	178.6	62.7	0	0	0	0	110.3	D166 V168 Y376	D166-T197 PolarHBondContact O-N 3.27Å; V168-T197 PolarHBondContact N-O 2.99Å; T197-Y376 WeakPolarHBondContact CG2-O 3.28Å; T197-Y376 PolarHBondContact OG1-O 2.82Å
198	C	93.5	Very high	92.7	Very high	11 Å²	11	31.6 Å²	31.6	7%	0.074	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.1	169	-164.3	0	0	0	0	110.1	V168 D186	V168-C198 CarbonylContact O-C 3.53Å; V168-C198 WeakPolarHBondContact O-CA 3.39Å; D186-C198 HydrophobicContact CB-CB 4.36Å; D186-C198 WeakPolarHBondContact OD1-CB 3.34Å
199	V	94.3	Very high	92.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.5	179	-178.4	0	0	0	0	109.2	V167 V168 V169 Q170 I228 Y376	V167-V199 HydrophobicContact CG1-CG2 4.35Å; V168-V199 PolarHBondContact O-N 3.02Å; V169-V199 CarbonylContact C-O 3.58Å; V169-V199 VanDerWaalsContact CA-O 3.31Å; V169-V199 WeakPolarHBondContact CA-O 3.48Å; Q170-V199 PolarHBondContact N-O 3.07Å; V199-I228 HydrophobicContact CG1-CD1 3.63Å; V199-I228 HydrophobicContact CG1-CG1 3.95Å; V199-Y376 HydrophobicContact CG1-CE2 4.26Å; V199-Y376 HydrophobicContact CG2-CD1 3.6Å; V199-Y376 HydrophobicContact CG2-CD2 3.95Å; V199-Y376 HydrophobicContact CG2-CE1 4.01Å; V199-Y376 HydrophobicContact CG2-CE2 4.32Å; V199-Y376 HydrophobicContact CG2-CG 3.57Å
200	V	95.8	Very high	92.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.9	175.8	176.5	0	0	0	0	109.7	Q170 V172 Y181 V202 F220 T225 N226 A227 I228	Q170-V200 HydrophobicContact CB-CG2 4.47Å; Q170-V200 CarbonylContact O-C 3.5Å; Q170-V200 WeakPolarHBondContact O-CA 3.07Å; V172-V200 HydrophobicContact CB-CG1 4.45Å; V172-V200 HydrophobicContact CG1-CG1 3.89Å; V172-V200 HydrophobicContact CG2-CG1 3.65Å; Y181-V200 HydrophobicContact CD2-CG2 3.66Å; Y181-V200 HydrophobicContact CE2-CG2 3.52Å; V200-V202 HydrophobicContact CG1-CG2 4.08Å; V200-F220 HydrophobicContact CG1-CE1 4.5Å; V200-T225 HydrophobicContact CB-CG2 4.22Å; V200-T225 HydrophobicContact CG2-CG2 3.42Å; V200-T225 VanDerWaalsContact CG2-CG2 3.42Å; V200-N226 PolarHBondContact N-O 3.3Å; V200-A227 CarbonylContact O-C 3.52Å; V200-A227 WeakPolarHBondContact O-CA 3.28Å; V200-I228 PolarHBondContact O-N 2.95Å
201	L	96.7	Very high	91.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	104.5	172.6	-172.5	69.4	0	0	0	109.3	V169 Q170 V171 V172 N203 I228 W230 L368 F391 T402	V169-L201 HydrophobicContact CG1-CB 3.52Å; V169-L201 HydrophobicContact CG1-CD2 4.21Å; V169-L201 HydrophobicContact CG1-CG 4.46Å; Q170-L201 PolarHBondContact O-N 3.21Å; V171-L201 WeakPolarHBondContact CA-O 3.48Å; V171-L201 HydrophobicContact CG2-CB 4.46Å; V171-L201 HydrophobicContact CG2-CD2 4.29Å; V172-L201 PolarHBondContact N-O 3.09Å; L201-N203 PolarHBondContact O-N 3.42Å; L201-N203 VanDerWaalsContact O-N 3.12Å; L201-I228 HydrophobicContact CD1-CB 3.91Å; L201-I228 HydrophobicContact CD1-CG2 3.94Å; L201-W230 HydrophobicContact CD1-CB 3.48Å; L201-W230 VanDerWaalsContact CD1-CB 3.48Å; L201-W230 HydrophobicContact CD1-CG 4.05Å; L201-W230 HydrophobicContact CD2-CB 4.46Å; L201-W230 HydrophobicContact CD2-CG 4.33Å; L201-W230 HydrophobicContact CG-CB 3.96Å; L201-W230 HydrophobicContact CG-CG 4.36Å; L201-L368 HydrophobicContact CD1-CD1 3.93Å; L201-F391 HydrophobicContact CD2-CE1 4.1Å; L201-T402 HydrophobicContact CD2-CG2 3.89Å
202	V	96.8	Very high	91.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	92.6	177	-172	0	0	0	0	108.3	V172 A174 V200 S205 F220 A227 I228 F229 W230	V172-V202 HydrophobicContact CG2-CB 4.1Å; V172-V202 HydrophobicContact CG2-CG1 4.23Å; V172-V202 HydrophobicContact CG2-CG2 3.78Å; A174-V202 HydrophobicContact CB-CG1 3.73Å; V200-V202 HydrophobicContact CG1-CG2 4.08Å; V202-S205 PolarHBondContact O-OG 3.06Å; V202-F220 HydrophobicContact CG2-CE2 3.85Å; V202-F220 HydrophobicContact CG2-CZ 4.22Å; V202-A227 HydrophobicContact CG2-CB 4.31Å; V202-I228 PolarHBondContact N-O 2.69Å; V202-F229 HydrophobicContact CB-CD1 4Å; V202-F229 HydrophobicContact CB-CE1 4.29Å; V202-F229 HydrophobicContact CG1-CD1 4.06Å; V202-F229 HydrophobicContact CG1-CE1 4.18Å; V202-F229 HydrophobicContact CG2-CE1 4.38Å; V202-W230 PolarHBondContact O-N 2.73Å; V202-W230 VanDerWaalsContact O-O 3.14Å
203	N	96.2	Very high	91.6	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.027	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	161	-179.8	-170.3	29.4	0	0	0	111.5	V171 V172 A174 L201 S205 W230 A232 V397	V171-N203 HydrophobicContact CG1-CB 3.82Å; V172-N203 PolarHBondContact O-N 2.71Å; A174-N203 VanDerWaalsContact CB-O 3.25Å; A174-N203 WeakPolarHBondContact CB-O 3.28Å; A174-N203 PolarHBondContact N-O 3.46Å; L201-N203 PolarHBondContact O-N 3.42Å; L201-N203 VanDerWaalsContact O-N 3.12Å; N203-S205 PolarHBondContact O-N 3.16Å; N203-W230 CarbonylContact C-O 3.54Å; N203-W230 WeakPolarHBondContact CA-O 3.32Å; N203-A232 PolarHBondContact OD1-N 3.04Å; N203-V397 PolarHBondContact ND2-O 2.86Å
204	K	93.4	Very high	91.7	Very high	37 Å²	37	30.3 Å²	30.3	16%	0.161	17%	0.165	C	C	.	.			trans	63.3	29.3	-173.6	-45.4	-177.7	-168.3	165.9	0	112.8	D173 A174 D206 F207 W230 N396	D173-K204 WeakPolarHBondContact OD2-CD 3.47Å; D173-K204 WeakPolarHBondContact OD2-CE 3.48Å; D173-K204 IonicContact OD2-NZ 2.88Å; D173-K204 PolarHBondContact OD2-NZ 2.82Å; A174-K204 WeakPolarHBondContact CB-O 3.44Å; K204-D206 VanDerWaalsContact CA-OD1 3.25Å; K204-D206 WeakPolarHBondContact CA-OD1 3.25Å; K204-D206 PolarHBondContact O-N 3.45Å; K204-D206 VanDerWaalsContact O-N 3.14Å; K204-F207 HydrophobicContact CB-CD2 3.72Å; K204-F207 HydrophobicContact CB-CE2 3.84Å; K204-F207 HydrophobicContact CD-CD2 4.46Å; K204-F207 HydrophobicContact CD-CE2 3.89Å; K204-F207 HydrophobicContact CG-CE2 4.39Å; K204-F207 WeakPolarHBondContact O-CB 3.37Å; K204-F207 PolarHBondContact O-N 2.92Å; K204-F207 VanDerWaalsContact O-N 3.08Å; K204-W230 PolarHBondContact N-O 2.81Å; K204-W230 VanDerWaalsContact N-O 3.13Å; K204-N396 PolarHBondContact NZ-O 3.19Å
205	S	92.7	Very high	91.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-65.9	-11.3	179.8	-72	0	0	0	0	113.3	V202 N203 F207 L208 F229 W230	V202-S205 PolarHBondContact O-OG 3.06Å; N203-S205 PolarHBondContact O-N 3.16Å; S205-F207 PolarHBondContact O-N 2.98Å; S205-L208 PolarHBondContact O-N 3.25Å; S205-L208 VanDerWaalsContact O-N 3.1Å; S205-F229 WeakPolarHBondContact OG-CD1 3.39Å; S205-W230 WeakPolarHBondContact CB-O 3.05Å; S205-W230 PolarHBondContact N-O 2.94Å; S205-W230 PolarHBondContact OG-N 2.84Å
206	D	89	Confident	91.9	Very high	35 Å²	35	23.8 Å²	23.8	19%	0.187	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-63.8	-15.8	168.5	54.9	-70.6	0	0	0	113.9	K204 L208 S231 L234	K204-D206 VanDerWaalsContact CA-OD1 3.25Å; K204-D206 WeakPolarHBondContact CA-OD1 3.25Å; K204-D206 PolarHBondContact O-N 3.45Å; K204-D206 VanDerWaalsContact O-N 3.14Å; D206-L208 VanDerWaalsContact C-N 3.34Å; D206-S231 VanDerWaalsContact CG-OG 3.24Å; D206-S231 VanDerWaalsContact OD1-CB 3.27Å; D206-S231 WeakPolarHBondContact OD1-CB 3.46Å; D206-S231 PolarHBondContact OD1-OG 2.88Å; D206-L234 HydrophobicContact CB-CD1 3.79Å; D206-L234 HydrophobicContact CB-CG 4.27Å
207	F	88.7	Confident	92	Very high	19 Å²	19	23.4 Å²	23.4	8%	0.083	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-78.5	-18.5	171	-66.7	-37.5	0	0	0	113.8	R175 K204 S205 L548	R175-F207 HydrophobicContact CG-CD2 3.87Å; K204-F207 HydrophobicContact CB-CD2 3.72Å; K204-F207 HydrophobicContact CB-CE2 3.84Å; K204-F207 HydrophobicContact CD-CD2 4.46Å; K204-F207 HydrophobicContact CD-CE2 3.89Å; K204-F207 HydrophobicContact CG-CE2 4.39Å; K204-F207 WeakPolarHBondContact O-CB 3.37Å; K204-F207 PolarHBondContact O-N 2.92Å; K204-F207 VanDerWaalsContact O-N 3.08Å; S205-F207 PolarHBondContact O-N 2.98Å; F207-L548 HydrophobicContact CB-CD1 3.84Å; F207-L548 HydrophobicContact CB-CD2 3.95Å; F207-L548 HydrophobicContact CD1-CD1 4.07Å; F207-L548 HydrophobicContact CD1-CD2 4.18Å; F207-L548 HydrophobicContact CD2-CD1 4.15Å; F207-L548 HydrophobicContact CG-CD1 3.77Å; F207-L548 HydrophobicContact CG-CD2 4.31Å
208	L	88.8	Confident	92	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.042	14%	0.14	C	C	.	.	S	Bend	trans	-102.7	140.8	-178.5	-62	176.9	0	0	0	110.7	A174 S205 D206 Q212 R213 C550	A174-L208 HydrophobicContact CB-CD1 3.84Å; A174-L208 HydrophobicContact CB-CG 4.15Å; S205-L208 PolarHBondContact O-N 3.25Å; S205-L208 VanDerWaalsContact O-N 3.1Å; D206-L208 VanDerWaalsContact C-N 3.34Å; L208-Q212 HydrophobicContact CB-CB 4.2Å; L208-Q212 HydrophobicContact CD2-CB 4.31Å; L208-R213 HydrophobicContact CB-CG 3.49Å; L208-R213 VanDerWaalsContact CB-CG 3.49Å; L208-R213 HydrophobicContact CD1-CG 3.94Å; L208-R213 HydrophobicContact CG-CG 4.39Å; L208-C550 HydrophobicContact CD2-CB 3.58Å; L208-C550 VanDerWaalsContact CD2-SG 3.59Å
209	T	86.9	Confident	92	Very high	3 Å²	3	29 Å²	29	2%	0.018	14%	0.144	C	C	.	.			trans	-70.4	162.9	171.4	61.7	0	0	0	0	111.9	K211 Q212 R213 G566 D568	T209-K211 PolarHBondContact O-N 3.14Å; T209-Q212 PolarHBondContact O-N 3.14Å; T209-Q212 VanDerWaalsContact O-N 3.16Å; T209-Q212 VanDerWaalsContact OG1-CG 3.29Å; T209-Q212 WeakPolarHBondContact OG1-CG 3.42Å; T209-Q212 PolarHBondContact OG1-N 3.35Å; T209-R213 WeakPolarHBondContact O-CG 3.11Å; T209-R213 PolarHBondContact O-N 3.3Å; T209-G566 WeakPolarHBondContact CG2-O 3.38Å; T209-D568 WeakPolarHBondContact CA-OD2 3.36Å; T209-D568 WeakPolarHBondContact CB-OD1 3.4Å
210	N	87.3	Confident	91.9	Very high	95 Å²	95	29.1 Å²	29.1	51%	0.508	14%	0.144	S	C	.	.	H	α-helix	trans	-52.3	-41.8	173.9	-64.8	-18.6	0	0	0	112.3	R213 A214 D568	N210-R213 PolarHBondContact O-N 2.77Å; N210-R213 PolarHBondContact OD1-NH2 2.74Å; N210-A214 PolarHBondContact O-N 2.97Å; N210-D568 PolarHBondContact N-OD2 3.32Å; N210-D568 VanDerWaalsContact N-OD2 3.15Å
211	K	87.7	Confident	91.8	Very high	145 Å²	145	33.6 Å²	33.6	63%	0.63	16%	0.164	S	C	*	.	H	α-helix	trans	-66.6	-44.8	178.4	-66.5	-176.5	179.6	179	0	112.3	T209 R213 A214 L215 L565	T209-K211 PolarHBondContact O-N 3.14Å; K211-R213 VanDerWaalsContact C-N 3.3Å; K211-R213 PolarHBondContact O-N 3.48Å; K211-A214 PolarHBondContact O-N 2.72Å; K211-L215 PolarHBondContact O-N 2.94Å; K211-L565 HydrophobicContact CD-CD2 4.36Å
212	Q	89.4	Confident	91.5	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.028	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-38.1	177.1	-72.8	173.1	-23.1	0	0	111.8	L208 T209 L215 W216 F562 L565	L208-Q212 HydrophobicContact CB-CB 4.2Å; L208-Q212 HydrophobicContact CD2-CB 4.31Å; T209-Q212 PolarHBondContact O-N 3.14Å; T209-Q212 VanDerWaalsContact O-N 3.16Å; T209-Q212 VanDerWaalsContact OG1-CG 3.29Å; T209-Q212 WeakPolarHBondContact OG1-CG 3.42Å; T209-Q212 PolarHBondContact OG1-N 3.35Å; Q212-L215 PolarHBondContact O-N 3.23Å; Q212-W216 PolarHBondContact O-N 3.03Å; Q212-W216 VanDerWaalsContact O-N 3.11Å; Q212-F562 HydrophobicContact CB-CE1 4.46Å; Q212-F562 HydrophobicContact CB-CE2 3.93Å; Q212-F562 HydrophobicContact CB-CZ 3.67Å; Q212-F562 HydrophobicContact CG-CD2 4.28Å; Q212-F562 HydrophobicContact CG-CE1 3.97Å; Q212-F562 HydrophobicContact CG-CE2 3.71Å; Q212-F562 HydrophobicContact CG-CZ 3.54Å; Q212-F562 PolarHBondContact NE2-O 2.89Å; Q212-L565 HydrophobicContact CG-CB 4.31Å; Q212-L565 HydrophobicContact CG-CD1 4.09Å
213	R	92	Very high	91.2	Very high	10 Å²	10	41.9 Å²	41.9	4%	0.038	21%	0.211	C	C	.	.	H	α-helix	trans	-67.2	-37	176.4	-68.5	-171.9	-68.9	125.4	1.3	112.2	L208 T209 N210 K211 L215 W216 A217 F229 A360 K361 L362	L208-R213 HydrophobicContact CB-CG 3.49Å; L208-R213 VanDerWaalsContact CB-CG 3.49Å; L208-R213 HydrophobicContact CD1-CG 3.94Å; L208-R213 HydrophobicContact CG-CG 4.39Å; T209-R213 WeakPolarHBondContact O-CG 3.11Å; T209-R213 PolarHBondContact O-N 3.3Å; N210-R213 PolarHBondContact O-N 2.77Å; N210-R213 PolarHBondContact OD1-NH2 2.74Å; K211-R213 VanDerWaalsContact C-N 3.3Å; K211-R213 PolarHBondContact O-N 3.48Å; R213-L215 VanDerWaalsContact C-N 3.35Å; R213-L215 PolarHBondContact O-N 3.13Å; R213-W216 PolarHBondContact O-N 3.48Å; R213-A217 WeakPolarHBondContact O-CB 3.24Å; R213-A217 PolarHBondContact O-N 2.7Å; R213-F229 HydrophobicContact CB-CD1 4.22Å; R213-F229 HydrophobicContact CB-CE1 4.13Å; R213-F229 HydrophobicContact CB-CZ 4.39Å; R213-F229 HydrophobicContact CG-CD1 3.98Å; R213-F229 HydrophobicContact CG-CE1 4.14Å; R213-F229 WeakPolarHBondContact O-CZ 3.3Å; R213-A360 HydrophobicContact CB-CB 4.37Å; R213-A360 PolarHBondContact NH1-O 3.35Å; R213-K361 VanDerWaalsContact NH1-C 3.27Å; R213-L362 VanDerWaalsContact NH1-CD2 3.29Å
214	A	91.6	Very high	90.9	Very high	36 Å²	36	44.7 Å²	44.7	30%	0.298	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-42.9	173.9	0	0	0	0	0	112.3	N210 K211 W216 A217 E218 A360	N210-A214 PolarHBondContact O-N 2.97Å; K211-A214 PolarHBondContact O-N 2.72Å; A214-W216 PolarHBondContact O-N 2.85Å; A214-A217 WeakPolarHBondContact O-CB 3.45Å; A214-A217 PolarHBondContact O-N 3.3Å; A214-E218 PolarHBondContact O-N 2.81Å; A214-A360 HydrophobicContact CB-CB 3.97Å
215	L	92	Very high	90.8	Very high	35 Å²	35	43.5 Å²	43.5	18%	0.183	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-42.4	175.6	-64.6	167.8	0	0	0	112.1	K211 Q212 R213 Y219 P553 I557 F562 L565	K211-L215 PolarHBondContact O-N 2.94Å; Q212-L215 PolarHBondContact O-N 3.23Å; R213-L215 VanDerWaalsContact C-N 3.35Å; R213-L215 PolarHBondContact O-N 3.13Å; L215-Y219 WeakPolarHBondContact O-CB 3.47Å; L215-Y219 PolarHBondContact O-N 3.3Å; L215-P553 HydrophobicContact CB-CG 4.11Å; L215-I557 HydrophobicContact CD1-CD1 3.34Å; L215-I557 HydrophobicContact CD1-CG1 4.41Å; L215-I557 HydrophobicContact CD2-CD1 3.9Å; L215-I557 HydrophobicContact CG-CD1 4.27Å; L215-F562 HydrophobicContact CD1-CD2 3.96Å; L215-F562 HydrophobicContact CD1-CE2 3.9Å; L215-L565 HydrophobicContact CD1-CD1 4.05Å
216	W	93.5	Very high	90.6	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-66.2	-38.6	174.7	-85.6	109.1	0	0	0	112.3	P177 L178 Q212 R213 A214 Y219 F220 F229 Y551 P553 F562	P177-W216 HydrophobicContact CB-CE3 4.4Å; P177-W216 HydrophobicContact CB-CH2 4.3Å; P177-W216 HydrophobicContact CB-CZ3 4.1Å; P177-W216 HydrophobicContact CG-CD2 4.09Å; P177-W216 HydrophobicContact CG-CE3 4.07Å; P177-W216 HydrophobicContact CG-CH2 3.98Å; P177-W216 HydrophobicContact CG-CZ2 3.96Å; P177-W216 HydrophobicContact CG-CZ3 4.02Å; L178-W216 HydrophobicContact CD1-CH2 4.26Å; L178-W216 HydrophobicContact CG-CH2 4.06Å; L178-W216 HydrophobicContact CG-CZ3 4.14Å; Q212-W216 PolarHBondContact O-N 3.03Å; Q212-W216 VanDerWaalsContact O-N 3.11Å; R213-W216 PolarHBondContact O-N 3.48Å; A214-W216 PolarHBondContact O-N 2.85Å; W216-Y219 AromaticContact CE3-CD1 3.97Å; W216-Y219 HydrophobicContact CE3-CD1 3.97Å; W216-Y219 AromaticContact CZ3-CD1 3.77Å; W216-Y219 HydrophobicContact CZ3-CD1 3.77Å; W216-Y219 HydrophobicContact CZ3-CE1 4.11Å; W216-Y219 PolarHBondContact O-N 3.09Å; W216-F220 HydrophobicContact CE3-CD2 4.46Å; W216-F220 AromaticContact CE3-CE2 3.87Å; W216-F220 HydrophobicContact CE3-CE2 3.87Å; W216-F220 HydrophobicContact CE3-CZ 4.29Å; W216-F220 WeakPolarHBondContact O-CD2 3.39Å; W216-F220 PolarHBondContact O-N 3.18Å; W216-F229 HydrophobicContact CB-CE1 4.01Å; W216-F229 HydrophobicContact CB-CZ 3.89Å; W216-Y551 VanDerWaalsContact CZ2-O 3.22Å; W216-Y551 WeakPolarHBondContact CZ2-O 3.48Å; W216-Y551 PolarHBondContact NE1-O 3.48Å; W216-P553 HydrophobicContact CD2-CB 4.21Å; W216-P553 HydrophobicContact CD2-CG 4.25Å; W216-P553 HydrophobicContact CE3-CB 4.07Å; W216-P553 HydrophobicContact CH2-CB 4.2Å; W216-P553 HydrophobicContact CZ2-CB 4.35Å; W216-P553 HydrophobicContact CZ3-CB 4.06Å; W216-F562 AromaticContact NE1-CZ 3.72Å
217	A	93	Very high	90.9	Very high	8 Å²	8	46.6 Å²	46.6	7%	0.066	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-46.5	177.3	0	0	0	0	0	110.8	R213 A214 Y219 F220 K221 F229	R213-A217 WeakPolarHBondContact O-CB 3.24Å; R213-A217 PolarHBondContact O-N 2.7Å; A214-A217 WeakPolarHBondContact O-CB 3.45Å; A214-A217 PolarHBondContact O-N 3.3Å; A217-Y219 VanDerWaalsContact C-N 3.33Å; A217-Y219 PolarHBondContact O-N 3.14Å; A217-F220 PolarHBondContact O-N 2.93Å; A217-K221 WeakPolarHBondContact O-CG 3.47Å; A217-K221 PolarHBondContact O-N 3.09Å; A217-F229 HydrophobicContact CB-CE2 3.72Å; A217-F229 HydrophobicContact CB-CZ 4.05Å
218	E	92.3	Very high	91.2	Very high	124 Å²	124	46 Å²	46	58%	0.579	25%	0.254	S	S	*	.	H	α-helix	trans	-58	-46.8	174.2	-174.9	176	-175.2	0	0	111.1	A214 F220 K221 T222	A214-E218 PolarHBondContact O-N 2.81Å; E218-F220 PolarHBondContact O-N 2.85Å; E218-K221 WeakPolarHBondContact O-CB 3.48Å; E218-K221 PolarHBondContact O-N 3.23Å; E218-K221 VanDerWaalsContact O-N 3.17Å; E218-T222 WeakPolarHBondContact O-CG2 3.22Å; E218-T222 PolarHBondContact O-N 3.44Å
219	Y	93.7	Very high	91.5	Very high	40 Å²	40	45.8 Å²	45.8	16%	0.157	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-45.1	178.1	-179.7	-102.2	0	0	0	112.9	L178 L215 W216 A217 K221 T222 I223 P553 P554	L178-Y219 HydrophobicContact CD1-CE1 4.33Å; L178-Y219 HydrophobicContact CD2-CE1 3.78Å; L178-Y219 HydrophobicContact CG-CE1 4.33Å; L215-Y219 WeakPolarHBondContact O-CB 3.47Å; L215-Y219 PolarHBondContact O-N 3.3Å; W216-Y219 AromaticContact CE3-CD1 3.97Å; W216-Y219 HydrophobicContact CE3-CD1 3.97Å; W216-Y219 AromaticContact CZ3-CD1 3.77Å; W216-Y219 HydrophobicContact CZ3-CD1 3.77Å; W216-Y219 HydrophobicContact CZ3-CE1 4.11Å; W216-Y219 PolarHBondContact O-N 3.09Å; A217-Y219 VanDerWaalsContact C-N 3.33Å; A217-Y219 PolarHBondContact O-N 3.14Å; Y219-K221 VanDerWaalsContact C-N 3.29Å; Y219-K221 PolarHBondContact O-N 3.22Å; Y219-T222 PolarHBondContact O-N 3.3Å; Y219-T222 VanDerWaalsContact O-N 3.08Å; Y219-T222 PolarHBondContact O-OG1 3.1Å; Y219-I223 HydrophobicContact CD1-CD1 3.93Å; Y219-I223 HydrophobicContact CE1-CD1 3.22Å; Y219-I223 HydrophobicContact CE1-CG1 4.27Å; Y219-I223 HydrophobicContact CE2-CD1 4.31Å; Y219-I223 VanDerWaalsContact CZ-CD1 3.46Å; Y219-I223 PolarHBondContact O-N 2.95Å; Y219-P553 HydrophobicContact CD1-CB 4.23Å; Y219-P553 HydrophobicContact CD2-CB 4.06Å; Y219-P553 HydrophobicContact CG-CB 3.72Å; Y219-P554 HydrophobicContact CD2-CG 4.28Å; Y219-P554 HydrophobicContact CE1-CG 4.37Å; Y219-P554 HydrophobicContact CE2-CG 3.38Å; Y219-P554 VanDerWaalsContact CZ-CG 3.41Å; Y219-P554 VanDerWaalsContact OH-CG 3.24Å; Y219-P554 WeakPolarHBondContact OH-CG 3.26Å
220	F	93.3	Very high	91.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-34.5	176.6	-77.8	-63.6	0	0	0	112.9	P177 V200 V202 W216 A217 E218 T222 I223 G224 T225 A227	P177-F220 HydrophobicContact CB-CE2 4.38Å; P177-F220 HydrophobicContact CB-CZ 3.82Å; V200-F220 HydrophobicContact CG1-CE1 4.5Å; V202-F220 HydrophobicContact CG2-CE2 3.85Å; V202-F220 HydrophobicContact CG2-CZ 4.22Å; W216-F220 HydrophobicContact CE3-CD2 4.46Å; W216-F220 AromaticContact CE3-CE2 3.87Å; W216-F220 HydrophobicContact CE3-CE2 3.87Å; W216-F220 HydrophobicContact CE3-CZ 4.29Å; W216-F220 WeakPolarHBondContact O-CD2 3.39Å; W216-F220 PolarHBondContact O-N 3.18Å; A217-F220 PolarHBondContact O-N 2.93Å; E218-F220 PolarHBondContact O-N 2.85Å; F220-T222 VanDerWaalsContact C-N 3.34Å; F220-T222 PolarHBondContact O-N 3.08Å; F220-I223 PolarHBondContact O-N 3.36Å; F220-G224 PolarHBondContact O-N 3.34Å; F220-G224 VanDerWaalsContact O-N 3.12Å; F220-T225 PolarHBondContact O-N 3Å; F220-A227 HydrophobicContact CB-CB 3.7Å; F220-A227 HydrophobicContact CD1-CB 4.27Å; F220-A227 HydrophobicContact CD2-CB 3.48Å; F220-A227 VanDerWaalsContact CD2-CB 3.48Å; F220-A227 HydrophobicContact CE2-CB 4.15Å; F220-A227 HydrophobicContact CG-CB 3.56Å
221	K	91.8	Very high	92.2	Very high	95 Å²	95	41.4 Å²	41.4	41%	0.413	23%	0.23	S	C	.	.	H	α-helix	trans	-61.3	-41.1	170.6	-69.7	174.7	179.5	-170.3	0	112.2	A217 E218 Y219 I223 G224 E359	A217-K221 WeakPolarHBondContact O-CG 3.47Å; A217-K221 PolarHBondContact O-N 3.09Å; E218-K221 WeakPolarHBondContact O-CB 3.48Å; E218-K221 PolarHBondContact O-N 3.23Å; E218-K221 VanDerWaalsContact O-N 3.17Å; Y219-K221 VanDerWaalsContact C-N 3.29Å; Y219-K221 PolarHBondContact O-N 3.22Å; K221-I223 VanDerWaalsContact C-N 3.26Å; K221-I223 PolarHBondContact O-N 3.09Å; K221-G224 PolarHBondContact O-N 3.07Å; K221-E359 WeakPolarHBondContact CE-OE1 3.4Å; K221-E359 WeakPolarHBondContact CE-OE2 3.37Å; K221-E359 IonicContact NZ-OE1 3.88Å; K221-E359 PolarHBondContact NZ-OE1 2.96Å; K221-E359 IonicContact NZ-OE2 3.71Å; K221-E359 PolarHBondContact NZ-OE2 3.33Å; K221-E359 VanDerWaalsContact NZ-OE2 3.11Å
222	T	92.2	Very high	92.5	Very high	104 Å²	104	34.7 Å²	34.7	64%	0.638	20%	0.202	S	C	*	.	H	α-helix	trans	-62.8	-33.1	178.2	69.3	0	0	0	0	112.8	E218 Y219 F220 G224	E218-T222 WeakPolarHBondContact O-CG2 3.22Å; E218-T222 PolarHBondContact O-N 3.44Å; Y219-T222 PolarHBondContact O-N 3.3Å; Y219-T222 VanDerWaalsContact O-N 3.08Å; Y219-T222 PolarHBondContact O-OG1 3.1Å; F220-T222 VanDerWaalsContact C-N 3.34Å; F220-T222 PolarHBondContact O-N 3.08Å; T222-G224 VanDerWaalsContact C-N 3.29Å
223	I	89.6	Confident	92.5	Very high	72 Å²	72	38.2 Å²	38.2	37%	0.369	22%	0.224	S	C	.	.	H	α-helix	trans	-76.2	-21.2	174.7	-62.2	168.3	0	0	0	111.3	Y219 F220 K221 T225	Y219-I223 HydrophobicContact CD1-CD1 3.93Å; Y219-I223 HydrophobicContact CE1-CD1 3.22Å; Y219-I223 HydrophobicContact CE1-CG1 4.27Å; Y219-I223 HydrophobicContact CE2-CD1 4.31Å; Y219-I223 VanDerWaalsContact CZ-CD1 3.46Å; Y219-I223 PolarHBondContact O-N 2.95Å; F220-I223 PolarHBondContact O-N 3.36Å; K221-I223 VanDerWaalsContact C-N 3.26Å; K221-I223 PolarHBondContact O-N 3.09Å; I223-T225 WeakPolarHBondContact CG2-OG1 3.43Å
224	G	90.5	Very high	92.4	Very high	63 Å²	63	40.6 Å²	40.6	65%	0.649	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	21.5	-174	0	0	0	0	0	113.1	F220 K221 T222	F220-G224 PolarHBondContact O-N 3.34Å; F220-G224 VanDerWaalsContact O-N 3.12Å; K221-G224 PolarHBondContact O-N 3.07Å; T222-G224 VanDerWaalsContact C-N 3.29Å
225	T	89.8	Confident	92.3	Very high	13 Å²	13	39 Å²	39	8%	0.08	22%	0.224	C	C	.	.			trans	-102.5	133.4	179.8	-50.8	0	0	0	0	110.9	Y181 V200 F220 I223 A227	Y181-T225 HydrophobicContact CE2-CG2 4.05Å; Y181-T225 PolarHBondContact OH-OG1 3.28Å; V200-T225 HydrophobicContact CB-CG2 4.22Å; V200-T225 HydrophobicContact CG2-CG2 3.42Å; V200-T225 VanDerWaalsContact CG2-CG2 3.42Å; F220-T225 PolarHBondContact O-N 3Å; I223-T225 WeakPolarHBondContact CG2-OG1 3.43Å; T225-A227 PolarHBondContact O-N 3.29Å
226	N	90.5	Very high	92.2	Very high	77 Å²	77	39.8 Å²	39.8	41%	0.412	23%	0.232	S	C	.	.			trans	-75.2	111.7	175.5	-65	-49.8	0	0	0	110.5	V200 Y376	V200-N226 PolarHBondContact N-O 3.3Å; N226-Y376 HydrophobicContact CB-CE1 3.76Å
227	A	93.8	Very high	91.9	Very high	22 Å²	22	42.5 Å²	42.5	18%	0.182	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.3	178	0	0	0	0	0	111.6	V200 V202 F220 T225	V200-A227 CarbonylContact O-C 3.52Å; V200-A227 WeakPolarHBondContact O-CA 3.28Å; V202-A227 HydrophobicContact CG2-CB 4.31Å; F220-A227 HydrophobicContact CB-CB 3.7Å; F220-A227 HydrophobicContact CD1-CB 4.27Å; F220-A227 HydrophobicContact CD2-CB 3.48Å; F220-A227 VanDerWaalsContact CD2-CB 3.48Å; F220-A227 HydrophobicContact CE2-CB 4.15Å; F220-A227 HydrophobicContact CG-CB 3.56Å; T225-A227 PolarHBondContact O-N 3.29Å
228	I	94.8	Very high	91.6	Very high	8 Å²	8	46.7 Å²	46.7	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126	174.6	-55	176.8	0	0	0	108.4	V199 V200 L201 V202 V363 L368 L371 Y376	V199-I228 HydrophobicContact CG1-CD1 3.63Å; V199-I228 HydrophobicContact CG1-CG1 3.95Å; V200-I228 PolarHBondContact O-N 2.95Å; L201-I228 HydrophobicContact CD1-CB 3.91Å; L201-I228 HydrophobicContact CD1-CG2 3.94Å; V202-I228 PolarHBondContact N-O 2.69Å; I228-V363 HydrophobicContact CG2-CB 4.1Å; I228-V363 HydrophobicContact CG2-CG1 4.43Å; I228-V363 HydrophobicContact CG2-CG2 3.7Å; I228-L368 HydrophobicContact CD1-CD1 4.12Å; I228-L368 HydrophobicContact CG2-CD1 4.09Å; I228-L371 HydrophobicContact CD1-CD1 4.43Å; I228-L371 HydrophobicContact CG2-CD1 4.5Å; I228-Y376 HydrophobicContact CD1-CD2 4.46Å; I228-Y376 HydrophobicContact CD1-CE2 3.73Å; I228-Y376 HydrophobicContact CG1-CE2 4.4Å
229	F	95.8	Very high	91.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.4	176.9	-63.4	-85.8	0	0	0	111.1	V202 S205 R213 W216 A217 E359 L362 V363	V202-F229 HydrophobicContact CB-CD1 4Å; V202-F229 HydrophobicContact CB-CE1 4.29Å; V202-F229 HydrophobicContact CG1-CD1 4.06Å; V202-F229 HydrophobicContact CG1-CE1 4.18Å; V202-F229 HydrophobicContact CG2-CE1 4.38Å; S205-F229 WeakPolarHBondContact OG-CD1 3.39Å; R213-F229 HydrophobicContact CB-CD1 4.22Å; R213-F229 HydrophobicContact CB-CE1 4.13Å; R213-F229 HydrophobicContact CB-CZ 4.39Å; R213-F229 HydrophobicContact CG-CD1 3.98Å; R213-F229 HydrophobicContact CG-CE1 4.14Å; R213-F229 WeakPolarHBondContact O-CZ 3.3Å; W216-F229 HydrophobicContact CB-CE1 4.01Å; W216-F229 HydrophobicContact CB-CZ 3.89Å; A217-F229 HydrophobicContact CB-CE2 3.72Å; A217-F229 HydrophobicContact CB-CZ 4.05Å; F229-E359 WeakPolarHBondContact CD2-O 3.49Å; F229-L362 HydrophobicContact CB-CD2 4.32Å; F229-V363 PolarHBondContact O-N 2.99Å; F229-V363 VanDerWaalsContact O-N 3.07Å
230	W	95.4	Very high	90.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.268	C	S	.	.			trans	-135.4	149.1	-172.8	176.6	-104.6	0	0	0	112.3	L201 V202 N203 K204 S205 A235 V363 G364 V365 L368 A405	L201-W230 HydrophobicContact CD1-CB 3.48Å; L201-W230 VanDerWaalsContact CD1-CB 3.48Å; L201-W230 HydrophobicContact CD1-CG 4.05Å; L201-W230 HydrophobicContact CD2-CB 4.46Å; L201-W230 HydrophobicContact CD2-CG 4.33Å; L201-W230 HydrophobicContact CG-CB 3.96Å; L201-W230 HydrophobicContact CG-CG 4.36Å; V202-W230 PolarHBondContact O-N 2.73Å; V202-W230 VanDerWaalsContact O-O 3.14Å; N203-W230 CarbonylContact C-O 3.54Å; N203-W230 WeakPolarHBondContact CA-O 3.32Å; K204-W230 PolarHBondContact N-O 2.81Å; K204-W230 VanDerWaalsContact N-O 3.13Å; S205-W230 WeakPolarHBondContact CB-O 3.05Å; S205-W230 PolarHBondContact N-O 2.94Å; S205-W230 PolarHBondContact OG-N 2.84Å; W230-A235 HydrophobicContact CH2-CB 3.53Å; W230-A235 HydrophobicContact CZ2-CB 3.44Å; W230-A235 VanDerWaalsContact CZ2-CB 3.44Å; W230-A235 HydrophobicContact CZ3-CB 4.44Å; W230-V363 HydrophobicContact CE3-CB 4.49Å; W230-V363 WeakPolarHBondContact CZ3-O 3.41Å; W230-G364 VanDerWaalsContact CZ3-C 3.5Å; W230-G364 WeakPolarHBondContact CZ3-O 3.19Å; W230-V365 HydrophobicContact CH2-CB 4.21Å; W230-V365 HydrophobicContact CH2-CG2 3.73Å; W230-L368 HydrophobicContact CD2-CD2 3.92Å; W230-L368 HydrophobicContact CE3-CB 4.25Å; W230-L368 HydrophobicContact CE3-CD2 3.74Å; W230-L368 HydrophobicContact CE3-CG 4.5Å; W230-L368 HydrophobicContact CH2-CD2 4.05Å; W230-L368 HydrophobicContact CZ2-CD2 4.22Å; W230-L368 HydrophobicContact CZ3-CB 3.93Å; W230-L368 HydrophobicContact CZ3-CD2 3.8Å; W230-L368 HydrophobicContact CZ3-CG 4.49Å; W230-A405 HydrophobicContact CZ2-CB 4.25Å
231	S	94.4	Very high	90.4	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.042	30%	0.299	C	S	.	.			trans	-132.8	109.5	167	-179	0	0	0	0	110.6	D206 V233 L234 A235	D206-S231 VanDerWaalsContact CG-OG 3.24Å; D206-S231 VanDerWaalsContact OD1-CB 3.27Å; D206-S231 WeakPolarHBondContact OD1-CB 3.46Å; D206-S231 PolarHBondContact OD1-OG 2.88Å; S231-V233 PolarHBondContact O-N 3.24Å; S231-L234 PolarHBondContact OG-N 3.37Å; S231-A235 WeakPolarHBondContact O-CB 3.25Å; S231-A235 PolarHBondContact O-N 2.61Å
232	A	93	Very high	89.9	Confident	5 Å²	5	55.3 Å²	55.3	4%	0.041	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-29.7	176.9	0	0	0	0	0	112.9	N203 S236 A405	N203-A232 PolarHBondContact OD1-N 3.04Å; A232-S236 WeakPolarHBondContact O-CB 3.48Å; A232-S236 PolarHBondContact O-N 2.7Å; A232-S236 PolarHBondContact O-OG 3.36Å; A232-A405 HydrophobicContact CB-CB 4.38Å
233	V	89.9	Confident	89.3	Confident	80 Å²	80	53.1 Å²	53.1	49%	0.485	29%	0.292	S	S	.	.	H	α-helix	trans	-70	-52.8	179.6	178.9	0	0	0	0	109.7	S231 A235 S236 E237	S231-V233 PolarHBondContact O-N 3.24Å; V233-A235 VanDerWaalsContact C-N 3.31Å; V233-A235 PolarHBondContact O-N 3.48Å; V233-S236 PolarHBondContact O-N 3.5Å; V233-S236 VanDerWaalsContact O-N 3.13Å; V233-E237 WeakPolarHBondContact O-CG 2.87Å; V233-E237 PolarHBondContact O-N 3.24Å
234	L	89.7	Confident	88.8	Confident	60 Å²	60	52.9 Å²	52.9	31%	0.314	30%	0.296	S	S	.	.	H	α-helix	trans	-61	-40.9	177.9	-66.4	177.5	0	0	0	111.8	D206 S231 S236 E237 Q238 L362	D206-L234 HydrophobicContact CB-CD1 3.79Å; D206-L234 HydrophobicContact CB-CG 4.27Å; S231-L234 PolarHBondContact OG-N 3.37Å; L234-S236 VanDerWaalsContact C-N 3.35Å; L234-S236 PolarHBondContact O-N 3.18Å; L234-E237 PolarHBondContact O-N 3.23Å; L234-Q238 WeakPolarHBondContact O-CB 3.41Å; L234-Q238 VanDerWaalsContact O-CG 3.25Å; L234-Q238 WeakPolarHBondContact O-CG 3.46Å; L234-Q238 PolarHBondContact O-N 3.48Å; L234-L362 HydrophobicContact CD1-CD1 3.71Å
235	A	90.5	Very high	88.1	Confident	3 Å²	3	53.2 Å²	53.2	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-43.3	175.3	0	0	0	0	0	112	W230 S231 V233 Q238 M239 V365 A405	W230-A235 HydrophobicContact CH2-CB 3.53Å; W230-A235 HydrophobicContact CZ2-CB 3.44Å; W230-A235 VanDerWaalsContact CZ2-CB 3.44Å; W230-A235 HydrophobicContact CZ3-CB 4.44Å; S231-A235 WeakPolarHBondContact O-CB 3.25Å; S231-A235 PolarHBondContact O-N 2.61Å; V233-A235 VanDerWaalsContact C-N 3.31Å; V233-A235 PolarHBondContact O-N 3.48Å; A235-Q238 PolarHBondContact O-N 2.91Å; A235-M239 WeakPolarHBondContact O-CG 3.42Å; A235-M239 PolarHBondContact O-N 3.05Å; A235-M239 VanDerWaalsContact O-N 3.14Å; A235-V365 HydrophobicContact CB-CG2 3.85Å; A235-A405 HydrophobicContact CB-CB 4.06Å
236	S	88.8	Confident	87.1	Confident	51 Å²	51	57.7 Å²	57.7	36%	0.357	31%	0.309	S	S	.	.	H	α-helix	trans	-66.6	-40.4	177.3	-58.2	0	0	0	0	112.2	A232 V233 L234 M239 L240 A405	A232-S236 WeakPolarHBondContact O-CB 3.48Å; A232-S236 PolarHBondContact O-N 2.7Å; A232-S236 PolarHBondContact O-OG 3.36Å; V233-S236 PolarHBondContact O-N 3.5Å; V233-S236 VanDerWaalsContact O-N 3.13Å; L234-S236 VanDerWaalsContact C-N 3.35Å; L234-S236 PolarHBondContact O-N 3.18Å; S236-M239 PolarHBondContact O-N 3.45Å; S236-L240 PolarHBondContact O-N 3.35Å; S236-A405 WeakPolarHBondContact OG-CB 3.3Å
237	E	87.5	Confident	85.7	Confident	58 Å²	58	60.1 Å²	60.1	27%	0.271	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-41.4	176.5	-73.4	-178.7	-171.3	0	0	112.1	V233 L234 L240 R241	V233-E237 WeakPolarHBondContact O-CG 2.87Å; V233-E237 PolarHBondContact O-N 3.24Å; L234-E237 PolarHBondContact O-N 3.23Å; E237-L240 PolarHBondContact O-N 3.33Å; E237-R241 WeakPolarHBondContact O-CG 3.1Å; E237-R241 PolarHBondContact O-N 2.92Å
238	Q	87	Confident	84	Confident	96 Å²	96	62.8 Å²	62.8	45%	0.449	33%	0.334	S	S	.	.	H	α-helix	trans	-60	-45.1	175.2	-74.9	173.5	-1.8	0	0	111.3	L234 A235 L240 R241 Q242	L234-Q238 WeakPolarHBondContact O-CB 3.41Å; L234-Q238 VanDerWaalsContact O-CG 3.25Å; L234-Q238 WeakPolarHBondContact O-CG 3.46Å; L234-Q238 PolarHBondContact O-N 3.48Å; A235-Q238 PolarHBondContact O-N 2.91Å; Q238-L240 PolarHBondContact O-N 3.18Å; Q238-R241 PolarHBondContact O-N 3.31Å; Q238-Q242 WeakPolarHBondContact O-CG 3.5Å; Q238-Q242 PolarHBondContact O-N 3.26Å
239	M	83.8	Confident	82.1	Confident	51 Å²	51	68 Å²	68	25%	0.251	36%	0.358	S	S	.	.	H	α-helix	trans	-63.9	-39.6	176.4	-67.3	-62.1	102.7	0	0	112.4	A235 S236 Q242 S243 V365	A235-M239 WeakPolarHBondContact O-CG 3.42Å; A235-M239 PolarHBondContact O-N 3.05Å; A235-M239 VanDerWaalsContact O-N 3.14Å; S236-M239 PolarHBondContact O-N 3.45Å; M239-Q242 PolarHBondContact O-N 2.9Å; M239-S243 PolarHBondContact O-N 2.92Å; M239-S243 PolarHBondContact O-OG 3.09Å; M239-V365 HydrophobicContact CE-CG2 4.42Å
240	L	85.5	Confident	80	Confident	115 Å²	115	70.3 Å²	70.3	60%	0.602	38%	0.378	S	S	*	.	H	α-helix	trans	-63.9	-43.5	176.9	-171.7	65.2	0	0	0	111.3	S236 E237 Q238 Q242 S243 S244	S236-L240 PolarHBondContact O-N 3.35Å; E237-L240 PolarHBondContact O-N 3.33Å; Q238-L240 PolarHBondContact O-N 3.18Å; L240-Q242 PolarHBondContact O-N 3.29Å; L240-S243 WeakPolarHBondContact CA-OG 3.19Å; L240-S243 PolarHBondContact O-N 2.91Å; L240-S243 PolarHBondContact O-OG 2.86Å; L240-S244 PolarHBondContact O-N 3.07Å; L240-S244 PolarHBondContact O-OG 3.09Å
241	R	85.1	Confident	77.6	Confident	170 Å²	170	73.2 Å²	73.2	64%	0.642	40%	0.397	S	S	*	.	H	α-helix	trans	-62.6	-40.6	176.4	-70	176.7	-171.3	-174.6	6.3	112.4	E237 Q238 S244 T245	E237-R241 WeakPolarHBondContact O-CG 3.1Å; E237-R241 PolarHBondContact O-N 2.92Å; Q238-R241 PolarHBondContact O-N 3.31Å; R241-S244 PolarHBondContact O-N 3Å; R241-T245 WeakPolarHBondContact O-CB 3.31Å; R241-T245 PolarHBondContact O-N 3.44Å; R241-T245 PolarHBondContact O-OG1 3.28Å
242	Q	81.5	Confident	75.3	Confident	105 Å²	105	77.1 Å²	77.1	49%	0.491	42%	0.417	S	S	.	.	H	α-helix	trans	-64.9	-42.9	176.7	-72.2	175.5	0	0	0	111.9	Q238 M239 L240 T245 N246	Q238-Q242 WeakPolarHBondContact O-CG 3.5Å; Q238-Q242 PolarHBondContact O-N 3.26Å; M239-Q242 PolarHBondContact O-N 2.9Å; L240-Q242 PolarHBondContact O-N 3.29Å; Q242-T245 PolarHBondContact O-N 3.49Å; Q242-N246 VanDerWaalsContact O-CG 3.32Å; Q242-N246 PolarHBondContact O-N 3.32Å
243	S	78.8	Confident	73.3	Confident	59 Å²	59	83 Å²	83	41%	0.413	45%	0.447	S	S	.	.	H	α-helix	trans	-65.8	-39.8	177.1	57.8	0	0	0	0	112.7	M239 L240 M247	M239-S243 PolarHBondContact O-N 2.92Å; M239-S243 PolarHBondContact O-OG 3.09Å; L240-S243 WeakPolarHBondContact CA-OG 3.19Å; L240-S243 PolarHBondContact O-N 2.91Å; L240-S243 PolarHBondContact O-OG 2.86Å; S243-M247 WeakPolarHBondContact O-CG 3.37Å; S243-M247 PolarHBondContact O-N 3.3Å
244	S	79	Confident	71.2	Confident	66 Å²	66	82.6 Å²	82.6	46%	0.462	45%	0.448	S	S	.	.	H	α-helix	trans	-62.3	-43.7	172.9	-58.3	0	0	0	0	112.4	L240 R241 N246 M247 T248	L240-S244 PolarHBondContact O-N 3.07Å; L240-S244 PolarHBondContact O-OG 3.09Å; R241-S244 PolarHBondContact O-N 3Å; S244-N246 PolarHBondContact O-N 3.44Å; S244-M247 PolarHBondContact O-N 3.14Å; S244-T248 PolarHBondContact O-N 3.31Å; S244-T248 VanDerWaalsContact O-N 3.1Å; S244-T248 PolarHBondContact O-OG1 2.71Å
245	T	75.1	Confident	68.9	Low	70 Å²	70	83.4 Å²	83.4	43%	0.429	46%	0.455	S	S	.	.	H	α-helix	trans	-64.8	-40.4	-178.8	-52.7	0	0	0	0	111.9	R241 Q242 M247 T248 Q249	R241-T245 WeakPolarHBondContact O-CB 3.31Å; R241-T245 PolarHBondContact O-N 3.44Å; R241-T245 PolarHBondContact O-OG1 3.28Å; Q242-T245 PolarHBondContact O-N 3.49Å; T245-M247 VanDerWaalsContact C-N 3.32Å; T245-M247 PolarHBondContact O-N 3.36Å; T245-T248 PolarHBondContact O-N 3.27Å; T245-Q249 WeakPolarHBondContact O-CG 3.47Å; T245-Q249 PolarHBondContact O-N 3.13Å; T245-Q249 VanDerWaalsContact O-N 3.08Å
246	N	69.4	Low	66.7	Low	108 Å²	108	91.4 Å²	91.4	58%	0.578	49%	0.489	S	S	*	.	H	α-helix	trans	-66.2	-34.7	177.2	-71.1	-13.1	0	0	0	112.3	Q242 S244 A250	Q242-N246 VanDerWaalsContact O-CG 3.32Å; Q242-N246 PolarHBondContact O-N 3.32Å; S244-N246 PolarHBondContact O-N 3.44Å; N246-A250 WeakPolarHBondContact O-CB 3.46Å; N246-A250 PolarHBondContact O-N 3Å
247	M	60.3	Low	64.5	Low	127 Å²	127	94.9 Å²	94.9	63%	0.626	51%	0.508	S	S	*	.	H	α-helix	trans	-66.5	-43.6	173.8	-72.1	-62.8	-62.7	0	0	111.5	S243 S244 T245 Q249 A250 C251	S243-M247 WeakPolarHBondContact O-CG 3.37Å; S243-M247 PolarHBondContact O-N 3.3Å; S244-M247 PolarHBondContact O-N 3.14Å; T245-M247 VanDerWaalsContact C-N 3.32Å; T245-M247 PolarHBondContact O-N 3.36Å; M247-Q249 VanDerWaalsContact C-N 3.34Å; M247-Q249 PolarHBondContact O-N 2.92Å; M247-A250 PolarHBondContact O-N 3.36Å; M247-C251 WeakPolarHBondContact O-CB 3.15Å; M247-C251 PolarHBondContact O-N 3.08Å; M247-C251 PolarHBondContact O-SG 3.21Å
248	T	59.1	Low	62.2	Low	79 Å²	79	98.6 Å²	98.6	49%	0.485	53%	0.529	S	S	.	.	H	α-helix	trans	-63.2	-41.1	178.3	-33.3	0	0	0	0	111.6	S244 T245 C251 D252	S244-T248 PolarHBondContact O-N 3.31Å; S244-T248 VanDerWaalsContact O-N 3.1Å; S244-T248 PolarHBondContact O-OG1 2.71Å; T245-T248 PolarHBondContact O-N 3.27Å; T248-C251 PolarHBondContact O-N 3.31Å; T248-D252 WeakPolarHBondContact O-CB 3.34Å; T248-D252 PolarHBondContact O-N 3.03Å
249	Q	54	Low	59.6	Low	117 Å²	117	100.9 Å²	100.9	55%	0.547	54%	0.544	S	S	.	.	H	α-helix	trans	-68	-35.5	177	-69.1	-178.4	20.2	0	0	113.2	T245 M247 D252 I253	T245-Q249 WeakPolarHBondContact O-CG 3.47Å; T245-Q249 PolarHBondContact O-N 3.13Å; T245-Q249 VanDerWaalsContact O-N 3.08Å; M247-Q249 VanDerWaalsContact C-N 3.34Å; M247-Q249 PolarHBondContact O-N 2.92Å; Q249-D252 PolarHBondContact O-N 3.34Å; Q249-I253 WeakPolarHBondContact O-CG1 3.38Å; Q249-I253 PolarHBondContact O-N 3.02Å
250	A	52.2	Low	57.4	Low	51 Å²	51	106.6 Å²	106.6	42%	0.421	57%	0.57	S	S	.	*	H	α-helix	trans	-68.8	-36	173.9	0	0	0	0	0	112.3	N246 M247 S254	N246-A250 WeakPolarHBondContact O-CB 3.46Å; N246-A250 PolarHBondContact O-N 3Å; M247-A250 PolarHBondContact O-N 3.36Å; A250-S254 PolarHBondContact O-N 2.85Å; A250-S254 PolarHBondContact O-OG 3.41Å
251	C	45.6	Very low	55.1	Low	60 Å²	60	109.1 Å²	109.1	41%	0.405	58%	0.583	S	S	.	*	H	α-helix	trans	-67.7	-40.9	173.9	-62.7	0	0	0	0	111.8	M247 T248 I253 S254 T255	M247-C251 WeakPolarHBondContact O-CB 3.15Å; M247-C251 PolarHBondContact O-N 3.08Å; M247-C251 PolarHBondContact O-SG 3.21Å; T248-C251 PolarHBondContact O-N 3.31Å; C251-I253 VanDerWaalsContact C-N 3.26Å; C251-I253 PolarHBondContact O-N 2.88Å; C251-S254 WeakPolarHBondContact O-CB 3.47Å; C251-S254 PolarHBondContact O-N 3.14Å; C251-T255 WeakPolarHBondContact O-CG2 3.42Å; C251-T255 PolarHBondContact O-N 3.02Å; C251-T255 PolarHBondContact O-OG1 3.22Å
252	D	45.7	Very low	52.6	Low	88 Å²	88	106.4 Å²	106.4	47%	0.471	59%	0.59	S	S	.	*	H	α-helix	trans	-68.5	-21	-178.9	-76.3	-19.4	0	0	0	114.2	T248 Q249 T255 K256	T248-D252 WeakPolarHBondContact O-CB 3.34Å; T248-D252 PolarHBondContact O-N 3.03Å; Q249-D252 PolarHBondContact O-N 3.34Å; D252-T255 WeakPolarHBondContact CA-OG1 3.15Å; D252-K256 WeakPolarHBondContact O-CG 3.47Å
253	I	51.3	Low	50.3	Low	129 Å²	129	109.4 Å²	109.4	66%	0.662	61%	0.608	S	S	*	*	H	α-helix	trans	-80.2	-31.4	171.1	-64.4	166.4	0	0	0	110.6	Q249 C251	Q249-I253 WeakPolarHBondContact O-CG1 3.38Å; Q249-I253 PolarHBondContact O-N 3.02Å; C251-I253 VanDerWaalsContact C-N 3.26Å; C251-I253 PolarHBondContact O-N 2.88Å
254	S	45.5	Very low	47.9	Very low	72 Å²	72	116 Å²	116	50%	0.503	63%	0.633	S	S	.	*	H	α-helix	trans	-80.4	-34.1	-178.5	-49.5	0	0	0	0	112.3	A250 C251	A250-S254 PolarHBondContact O-N 2.85Å; A250-S254 PolarHBondContact O-OG 3.41Å; C251-S254 WeakPolarHBondContact O-CB 3.47Å; C251-S254 PolarHBondContact O-N 3.14Å
255	T	42	Very low	45.7	Very low	77 Å²	77	118.4 Å²	118.4	47%	0.472	65%	0.649	S	S	.	*	H	α-helix	trans	-79	-19.7	-178.3	49.1	0	0	0	0	113.7	C251 D252 T257 I258	C251-T255 WeakPolarHBondContact O-CG2 3.42Å; C251-T255 PolarHBondContact O-N 3.02Å; C251-T255 PolarHBondContact O-OG1 3.22Å; D252-T255 WeakPolarHBondContact CA-OG1 3.15Å; T255-T257 PolarHBondContact O-N 2.73Å; T255-I258 PolarHBondContact O-N 2.88Å
256	K	44.4	Very low	43.5	Very low	171 Å²	171	124.2 Å²	124.2	74%	0.743	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-11.6	172.8	-75.7	178.7	-177.6	175.9	0	114.2	D252	D252-K256 WeakPolarHBondContact O-CG 3.47Å
257	T	41.7	Very low	41.5	Very low	123 Å²	123	125 Å²	125	76%	0.755	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-3.2	-177.9	-35.4	0	0	0	0	112.9	T255	T255-T257 PolarHBondContact O-N 2.73Å
258	I	39.3	Very low	39.8	Very low	136 Å²	136	126.1 Å²	126.1	70%	0.697	69%	0.692	S	S	*	*			trans	-132.8	59.7	-177.7	-47.9	177.4	0	0	0	108.4	T255	T255-I258 PolarHBondContact O-N 2.88Å
259	N	32.3	Very low	38.5	Very low	144 Å²	144	127.6 Å²	127.6	77%	0.77	71%	0.706	S	S	*	*			trans	-101.2	71.3	167.5	-93.1	-11.6	0	0	0	108.4
260	E	37.3	Very low	37.3	Very low	171 Å²	171	129.2 Å²	129.2	80%	0.799	71%	0.714	S	S	*	*			trans	-169.3	132.5	158.7	-109.5	171.6	-162.1	0	0	107
261	I	38.2	Very low	36.2	Very low	169 Å²	169	135.2 Å²	135.2	87%	0.867	73%	0.733	S	S	*	*			trans	97.8	81.2	-176.8	-47.4	158.2	0	0	0	113.8
262	S	31.7	Very low	35.4	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	75%	0.748	S	S	*	*			trans	-50.2	132.3	158.6	-47.4	0	0	0	0	112.3
263	L	32.7	Very low	34.6	Very low	168 Å²	168	139.8 Å²	139.8	88%	0.88	76%	0.757	S	S	*	*			trans	-155.9	123.4	142.6	-85.3	-172.7	0	0	0	110.3
264	E	29.3	Very low	33.6	Very low	198 Å²	198	139.1 Å²	139.1	93%	0.925	76%	0.759	S	S	*	*			trans	-65.1	131.7	-179.9	-58.7	173.6	165.7	0	0	111.5
265	S	33.4	Very low	32.8	Very low	116 Å²	116	142.5 Å²	142.5	81%	0.811	77%	0.772	S	S	*	*			trans	-153.8	103.2	155.3	50.2	0	0	0	0	110.6
266	E	28.6	Very low	32.2	Very low	192 Å²	192	143.3 Å²	143.3	90%	0.897	78%	0.78	S	S	*	*			trans	-68.1	129.7	167.3	-62	-178.4	152.3	0	0	109.6
267	C	26.8	Very low	31.7	Very low	124 Å²	124	142 Å²	142	84%	0.838	78%	0.782	S	S	*	*			trans	-133.9	92.4	169.2	-145.9	0	0	0	0	110.2	S269	C267-S269 PolarHBondContact O-N 2.91Å
268	N	24.1	Very low	31.3	Very low	150 Å²	150	141.6 Å²	141.6	80%	0.802	78%	0.779	S	S	*	*			trans	-62.1	118.1	166.3	-87.3	-25.4	0	0	0	110.2
269	S	32	Very low	30.9	Very low	111 Å²	111	142.6 Å²	142.6	78%	0.776	79%	0.786	S	S	*	*			trans	-112.6	88.9	165.7	40.2	0	0	0	0	109.3	C267 E271	C267-S269 PolarHBondContact O-N 2.91Å; S269-E271 PolarHBondContact O-N 3.45Å
270	E	29.5	Very low	30.9	Very low	150 Å²	150	140.4 Å²	140.4	70%	0.701	78%	0.782	S	S	*	*			trans	-72.4	108.1	166.8	-69.8	-177.6	168.3	0	0	109.5	S272 H712	E270-S272 PolarHBondContact O-N 3.29Å; E270-S272 VanDerWaalsContact O-N 3.13Å; E270-H712 IonicContact OE2-CE1 2.99Å; E270-H712 IonicContact OE2-NE2 2.87Å
271	E	28.7	Very low	30.7	Very low	177 Å²	177	140.8 Å²	140.8	83%	0.827	78%	0.784	S	S	*	*			trans	-72.5	94.4	167.3	-71.3	-170.6	157.7	0	0	110.3	S269 Q273	S269-E271 PolarHBondContact O-N 3.45Å; E271-Q273 PolarHBondContact O-N 3.47Å
272	S	28.2	Very low	30.2	Very low	104 Å²	104	137.8 Å²	137.8	73%	0.727	78%	0.784	S	S	*	*			trans	-80.7	97.5	165.2	59.7	0	0	0	0	110.1	E270 T274	E270-S272 PolarHBondContact O-N 3.29Å; E270-S272 VanDerWaalsContact O-N 3.13Å; S272-T274 PolarHBondContact O-N 3.42Å
273	Q	29.3	Very low	29.9	Very low	141 Å²	141	137.3 Å²	137.3	66%	0.659	78%	0.78	S	S	*	*			trans	-62.4	107.7	163.5	-75.2	177.9	-6.1	0	0	109.8	E271	E271-Q273 PolarHBondContact O-N 3.47Å
274	T	29.7	Very low	29.5	Very low	115 Å²	115	135.4 Å²	135.4	71%	0.706	78%	0.776	S	S	*	*			trans	-126.1	90	159.7	54.8	0	0	0	0	108.3	S272 S276	S272-T274 PolarHBondContact O-N 3.42Å; T274-S276 PolarHBondContact O-N 3.43Å
275	D	29.6	Very low	29.5	Very low	143 Å²	143	131.2 Å²	131.2	77%	0.765	76%	0.764	S	S	*	*			trans	-70.5	93.1	167.7	-67.6	-21.4	0	0	0	108.2
276	S	29.3	Very low	29	Very low	93 Å²	93	131 Å²	131	65%	0.65	76%	0.758	S	S	*	*			trans	-118.8	76.1	163.9	67.6	0	0	0	0	108.8	T274 T278	T274-S276 PolarHBondContact O-N 3.43Å; S276-T278 VanDerWaalsContact C-N 3.3Å; S276-T278 PolarHBondContact O-N 2.9Å
277	D	34.2	Very low	29.1	Very low	145 Å²	145	128.1 Å²	128.1	78%	0.775	75%	0.747	S	S	*	*			trans	-69.7	91.6	167.6	-67	-27.4	0	0	0	108.2
278	T	33.4	Very low	29	Very low	113 Å²	113	129.7 Å²	129.7	69%	0.693	74%	0.742	S	S	*	*			trans	-104.2	95.6	159.6	-44.6	0	0	0	0	105.4	S276 S280	S276-T278 VanDerWaalsContact C-N 3.3Å; S276-T278 PolarHBondContact O-N 2.9Å; T278-S280 VanDerWaalsContact C-N 3.33Å; T278-S280 PolarHBondContact O-N 3.35Å
279	D	30.8	Very low	29.4	Very low	158 Å²	158	131 Å²	131	85%	0.845	74%	0.743	S	S	*	*			trans	-62.2	95.7	170.5	-69.9	-42	0	0	0	108.4
280	S	33.3	Very low	29.1	Very low	97 Å²	97	134 Å²	134	68%	0.678	75%	0.745	S	S	*	*			trans	-103.3	99.6	167	-66.2	0	0	0	0	108.1	T278	T278-S280 VanDerWaalsContact C-N 3.33Å; T278-S280 PolarHBondContact O-N 3.35Å
281	E	31.8	Very low	29.2	Very low	180 Å²	180	132.8 Å²	132.8	84%	0.841	75%	0.748	S	S	*	*			trans	51.2	124.1	141.5	-57.6	-165.8	163.7	0	0	119.7	S283	E281-S283 PolarHBondContact O-N 3.06Å; E281-S283 VanDerWaalsContact O-N 3.13Å
282	A	27.3	Very low	29.4	Very low	106 Å²	106	130.7 Å²	130.7	88%	0.876	74%	0.742	S	S	*	*			trans	-42.5	114.9	160	0	0	0	0	0	111.5
283	S	27	Very low	29.4	Very low	102 Å²	102	134.7 Å²	134.7	71%	0.713	75%	0.747	S	S	*	*			trans	-117.2	101.3	159.6	36.9	0	0	0	0	107.8	E281 V285	E281-S283 PolarHBondContact O-N 3.06Å; E281-S283 VanDerWaalsContact O-N 3.13Å; S283-V285 PolarHBondContact O-N 3.02Å; S283-V285 VanDerWaalsContact O-N 3.11Å
284	T	24.1	Very low	29.5	Very low	129 Å²	129	136.6 Å²	136.6	79%	0.791	76%	0.756	S	S	*	*			trans	-51.8	107.8	159.3	-58.6	0	0	0	0	108.1
285	V	28.3	Very low	29.5	Very low	110 Å²	110	136 Å²	136	67%	0.667	76%	0.756	S	S	*	*			trans	-107.4	97	167.4	-176.7	0	0	0	0	107.4	S283 I287	S283-V285 PolarHBondContact O-N 3.02Å; S283-V285 VanDerWaalsContact O-N 3.11Å; V285-I287 HydrophobicContact CG1-CD1 4.42Å; V285-I287 HydrophobicContact CG1-CG1 3.83Å; V285-I287 PolarHBondContact O-N 3.41Å
286	T	24	Very low	29.4	Very low	111 Å²	111	135.2 Å²	135.2	68%	0.681	76%	0.759	S	S	*	*			trans	-62.5	107.2	159.9	-1.8	0	0	0	0	107.6
287	I	30.7	Very low	29.3	Very low	131 Å²	131	139.8 Å²	139.8	67%	0.672	77%	0.767	S	S	*	*			trans	-98.3	103.5	163.3	-58.2	-176.5	0	0	0	106.4	V285 E289	V285-I287 HydrophobicContact CG1-CD1 4.42Å; V285-I287 HydrophobicContact CG1-CG1 3.83Å; V285-I287 PolarHBondContact O-N 3.41Å; I287-E289 HydrophobicContact CG2-CG 4.2Å
288	H	23.8	Very low	28.9	Very low	158 Å²	158	139 Å²	139	73%	0.731	77%	0.767	S	S	*	*			trans	-70	116.6	161.3	-85.6	-93.7	0	0	0	108
289	E	32.3	Very low	28.6	Very low	177 Å²	177	140.9 Å²	140.9	83%	0.827	77%	0.766	S	S	*	*			trans	-127.1	102.8	154.4	-78.9	-174.5	169.3	0	0	107.9	I287	I287-E289 HydrophobicContact CG2-CG 4.2Å
290	E	26.3	Very low	28.2	Very low	173 Å²	173	143.1 Å²	143.1	81%	0.808	76%	0.762	S	S	*	*			trans	-69.8	126.8	162.4	-66.1	177.4	155.9	0	0	108
291	T	32.1	Very low	28	Very low	126 Å²	126	148.2 Å²	148.2	77%	0.773	77%	0.768	S	S	*	*			trans	-175.9	113.1	136.8	22.9	0	0	0	0	110.8
292	D	31.2	Very low	27.8	Very low	133 Å²	133	144.9 Å²	144.9	71%	0.711	76%	0.76	S	S	*	*			trans	59.6	99.9	138.7	-56.9	-34.7	0	0	0	122
293	K	28.1	Very low	27.8	Very low	188 Å²	188	146.6 Å²	146.6	82%	0.817	76%	0.76	S	S	*	*				36.8	110.3	124.7	-59.6	179.2	-176.3	172.8	0	117.8
294	E	31.6	Very low	28	Very low	181 Å²	181	150.4 Å²	150.4	85%	0.846	77%	0.766	S	S	*	*				169.2	116.6	109.8	-92.4	-179.1	176.6	0	0	113.5
295	S	31	Very low	28.3	Very low	101 Å²	101	152.2 Å²	152.2	71%	0.706	77%	0.77	S	S	*	*			trans	64.5	138.6	150.5	71.2	0	0	0	0	121.8
296	P	26.8	Very low	28.4	Very low	127 Å²	127	152.8 Å²	152.8	83%	0.825	78%	0.776	S	S	*	*			trans	-88.7	120.8	-170.6	34.7	-30.2	0	0	0	111.9
297	K	27.9	Very low	28.7	Very low	190 Å²	190	155.4 Å²	155.4	83%	0.826	79%	0.786	S	S	*	*			trans	-97.6	110.6	168.5	-75.5	-177.3	-177.9	173.2	0	110.9	F299	K297-F299 PolarHBondContact O-N 2.69Å
298	V	25.5	Very low	28.7	Very low	127 Å²	127	160.2 Å²	160.2	77%	0.77	80%	0.796	S	S	*	*			trans	-48.3	110.9	159.6	175	0	0	0	0	109.1	R300	V298-R300 HydrophobicContact CG1-CG 4.4Å; V298-R300 PolarHBondContact O-N 3.27Å
299	F	26.3	Very low	29.1	Very low	153 Å²	153	160 Å²	160	67%	0.671	80%	0.799	S	S	*	*			trans	-89.7	89.9	175.4	-127.7	-89.2	0	0	0	109.8	K297 Y301	K297-F299 PolarHBondContact O-N 2.69Å; F299-Y301 HydrophobicContact CD1-CD1 4.18Å; F299-Y301 HydrophobicContact CD1-CD2 4.44Å; F299-Y301 AromaticContact CD1-CE1 3.65Å; F299-Y301 HydrophobicContact CD1-CE1 3.65Å; F299-Y301 AromaticContact CD1-CE2 3.93Å; F299-Y301 HydrophobicContact CD1-CE2 3.93Å; F299-Y301 AromaticContact CD1-CZ 3.51Å; F299-Y301 HydrophobicContact CE1-CD1 4.26Å; F299-Y301 AromaticContact CE1-CE1 3.6Å; F299-Y301 HydrophobicContact CE1-CE1 3.6Å; F299-Y301 AromaticContact CE1-CZ 3.84Å
300	R	23.2	Very low	28.9	Very low	206 Å²	206	156.7 Å²	156.7	78%	0.777	80%	0.796	S	S	*	*			trans	-76.7	120.4	160.4	-82.9	178.9	175.3	146	-1.9	108.1	V298 T302	V298-R300 HydrophobicContact CG1-CG 4.4Å; V298-R300 PolarHBondContact O-N 3.27Å; R300-T302 PolarHBondContact O-N 3.16Å
301	Y	29.6	Very low	29	Very low	204 Å²	204	154.8 Å²	154.8	80%	0.8	80%	0.8	S	S	*	*			trans	-85	89.9	161.1	-66.5	-77.8	0	0	0	108.4	F299	F299-Y301 HydrophobicContact CD1-CD1 4.18Å; F299-Y301 HydrophobicContact CD1-CD2 4.44Å; F299-Y301 AromaticContact CD1-CE1 3.65Å; F299-Y301 HydrophobicContact CD1-CE1 3.65Å; F299-Y301 AromaticContact CD1-CE2 3.93Å; F299-Y301 HydrophobicContact CD1-CE2 3.93Å; F299-Y301 AromaticContact CD1-CZ 3.51Å; F299-Y301 HydrophobicContact CE1-CD1 4.26Å; F299-Y301 AromaticContact CE1-CE1 3.6Å; F299-Y301 HydrophobicContact CE1-CE1 3.6Å; F299-Y301 AromaticContact CE1-CZ 3.84Å
302	T	27.2	Very low	28.8	Very low	109 Å²	109	157.8 Å²	157.8	67%	0.669	80%	0.802	S	S	*	*			trans	-88.5	118.7	160.5	29.6	0	0	0	0	108.6	R300 Q304	R300-T302 PolarHBondContact O-N 3.16Å; T302-Q304 PolarHBondContact O-N 3.33Å
303	T	27	Very low	28.8	Very low	142 Å²	142	160.4 Å²	160.4	87%	0.871	81%	0.808	S	S	*	*			trans	-57.7	118.4	167.7	39.8	0	0	0	0	110.7
304	Q	30.2	Very low	28.9	Very low	182 Å²	182	157.1 Å²	157.1	85%	0.85	81%	0.808	S	S	*	*			trans	-120.3	109.8	161.7	-73.8	-174.7	1.3	0	0	108.4	T302	T302-Q304 PolarHBondContact O-N 3.33Å
305	L	31.8	Very low	29	Very low	167 Å²	167	152 Å²	152	87%	0.874	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-68.3	142.7	164.6	-83.2	143	0	0	0	109.5
306	P	30.7	Very low	29	Very low	123 Å²	123	153.5 Å²	153.5	80%	0.799	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-81.5	123.2	174.7	12.2	1.9	0	0	0	111.3
307	N	28.7	Very low	29.2	Very low	165 Å²	165	153.6 Å²	153.6	88%	0.882	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-58.2	131.2	162.8	-93.8	-26.9	0	0	0	111
308	R	31.8	Very low	29.1	Very low	232 Å²	232	152.9 Å²	152.9	88%	0.875	82%	0.819	S	S	*	*			trans	-144.5	121.6	150.6	-115.6	-161.6	174.2	175.9	0.3	112.2
309	L	32.6	Very low	29.5	Very low	153 Å²	153	150.4 Å²	150.4	80%	0.801	82%	0.819	S	S	*	*			trans	81.7	116.5	157.3	-74.7	97.7	0	0	0	121.2
310	S	27.1	Very low	29.4	Very low	109 Å²	109	149 Å²	149	76%	0.762	82%	0.823	S	S	*	*			trans	-65.8	148.4	170.9	52.4	0	0	0	0	115.9
311	C	28.5	Very low	29.9	Very low	133 Å²	133	146.1 Å²	146.1	90%	0.899	82%	0.823	S	S	*	*			trans	-154.7	130.8	140.7	176.3	0	0	0	0	108.9
312	K	27.5	Very low	29.8	Very low	188 Å²	188	142.7 Å²	142.7	82%	0.817	82%	0.818	S	S	*	*			trans	-97.8	164.9	-171.7	-70.8	179	175.5	178.4	0	111.9
313	K	32.6	Very low	29.7	Very low	189 Å²	189	142.7 Å²	142.7	82%	0.822	82%	0.818	S	S	*	*			trans	106.6	101.2	154.5	-61.7	-176.8	-179.1	-175.9	0	113.2
314	S	29.6	Very low	29.9	Very low	119 Å²	119	144.3 Å²	144.3	83%	0.832	81%	0.813	S	S	*	*				90.7	120.2	65.5	67	0	0	0	0	113.6
315	G	32.4	Very low	29.7	Very low	74 Å²	74	144 Å²	144	76%	0.763	81%	0.812	S	S	*	*			trans	148.5	111.4	160.4	0	0	0	0	0	114.1
316	P	31	Very low	29.7	Very low	131 Å²	131	143.4 Å²	143.4	85%	0.851	81%	0.808	S	S	*	*			trans	-101.1	147.1	173.2	35.6	-26.3	0	0	0	111.9
317	C	31.7	Very low	29.8	Very low	130 Å²	130	142.7 Å²	142.7	88%	0.878	81%	0.806	S	S	*	*			trans	-148.6	127.1	163.3	43.6	0	0	0	0	112.2
318	D	27	Very low	29.7	Very low	174 Å²	174	143.3 Å²	143.3	93%	0.93	80%	0.803	S	S	*	*			trans	-63.6	156.9	167	-91.8	-40.4	0	0	0	112.6
319	G	32.4	Very low	29.8	Very low	76 Å²	76	136.8 Å²	136.8	78%	0.784	79%	0.791	S	S	*	*			trans	-177.8	76.8	170.8	0	0	0	0	0	114.4
320	T	25.8	Very low	29.6	Very low	122 Å²	122	136.4 Å²	136.4	75%	0.748	79%	0.788	S	S	*	*			trans	-52.8	141.7	163.7	-51.2	0	0	0	0	112.9
321	L	31.8	Very low	29.9	Very low	146 Å²	146	136.5 Å²	136.5	76%	0.764	79%	0.789	S	S	*	*			trans	168.6	112.7	134.4	-91.2	156.3	0	0	0	114
322	N	27.4	Very low	29.8	Very low	133 Å²	133	138.1 Å²	138.1	71%	0.711	78%	0.783	S	S	*	*				60.9	112	121.8	-77.7	2.4	0	0	0	125
323	T	25.8	Very low	30	Very low	109 Å²	109	138.3 Å²	138.3	67%	0.669	78%	0.784	S	S	*	*				79	138.8	115.1	-19.4	0	0	0	0	123.3
324	K	31.5	Very low	30.1	Very low	176 Å²	176	133.6 Å²	133.6	77%	0.765	78%	0.776	S	S	*	*			trans	91.2	104.7	152.6	-57.2	-169.3	179.9	178.4	0	117
325	E	26.1	Very low	30	Very low	175 Å²	175	132.2 Å²	132.2	82%	0.818	77%	0.766	S	S	*	*				72.1	133.7	88.4	-76	-170.3	169.7	0	0	114.5
326	I	32.4	Very low	30.1	Very low	155 Å²	155	135.9 Å²	135.9	80%	0.795	77%	0.768	S	S	*	*			trans	142.6	103.9	138.8	-68.8	158.9	0	0	0	113.8
327	S	32.1	Very low	30.3	Very low	108 Å²	108	134.4 Å²	134.4	76%	0.755	76%	0.761	S	S	*	*			trans	53.6	130	134.8	75.2	0	0	0	0	125.6
328	E	25.9	Very low	30.3	Very low	177 Å²	177	135.6 Å²	135.6	83%	0.827	76%	0.764	S	S	*	*			trans	-70.4	-177.3	147.1	-103.1	-169.8	-150.9	0	0	112.9
329	P	34.6	Very low	30.5	Very low	95 Å²	95	130.5 Å²	130.5	62%	0.617	75%	0.752	S	S	*	*			cis	-145.6	-167.9	-11.5	29	-1.7	0	0	0	116
330	I	28.8	Very low	30.4	Very low	146 Å²	146	137.9 Å²	137.9	75%	0.749	76%	0.756	S	S	*	*			trans	73.7	124.5	152.4	-33.3	-176.7	0	0	0	122.7
331	S	32.4	Very low	30.7	Very low	111 Å²	111	138.5 Å²	138.5	78%	0.776	76%	0.755	S	S	*	*			trans	-171.1	114.8	135.9	43.7	0	0	0	0	108.9
332	E	27	Very low	30.7	Very low	167 Å²	167	137.1 Å²	137.1	78%	0.78	75%	0.752	S	S	*	*				68.3	123.4	76.1	-78.4	-168.7	167.3	0	0	115.8
333	F	32.1	Very low	31.2	Very low	191 Å²	191	138 Å²	138	84%	0.838	76%	0.756	S	S	*	*			trans	166.2	102.1	132.7	-105.9	-108.2	0	0	0	108.7
334	S	33.7	Very low	31.3	Very low	91 Å²	91	138.5 Å²	138.5	64%	0.636	75%	0.754	S	S	*	*				76	142.4	89.6	71	0	0	0	0	113.8
335	S	29.3	Very low	31.5	Very low	90 Å²	90	133.7 Å²	133.7	63%	0.629	75%	0.747	S	S	*	*			cis	172.1	160.3	-1.6	46.2	0	0	0	0	107.1
336	N	32.7	Very low	31.9	Very low	151 Å²	151	132.3 Å²	132.3	81%	0.807	74%	0.741	S	S	*	*			trans	91.4	137.9	162	-50.1	-24.4	0	0	0	116.3
337	S	36.3	Very low	32	Very low	99 Å²	99	129.6 Å²	129.6	69%	0.692	73%	0.731	S	S	*	*			cis	-178.2	133.4	-6.1	46.4	0	0	0	0	107.9
338	V	31	Very low	32	Very low	156 Å²	156	128.3 Å²	128.3	95%	0.945	72%	0.722	S	S	*	*			trans	47.3	122.8	132	-170.6	0	0	0	0	120
339	G	32.1	Very low	32.5	Very low	66 Å²	66	123.7 Å²	123.7	68%	0.68	70%	0.702	S	S	*	*			trans	142.5	93.8	157.9	0	0	0	0	0	111.9
340	R	29.5	Very low	32.6	Very low	231 Å²	231	124.8 Å²	124.8	87%	0.872	70%	0.699	S	S	*	*				62.5	109.9	110	-113.8	-173	-170.9	146.4	1.5	113.4
341	D	32.4	Very low	32.9	Very low	136 Å²	136	121.4 Å²	121.4	73%	0.727	69%	0.688	S	S	*	*				147.1	127.8	124	-67.1	-24.7	0	0	0	112.5	I343	D341-I343 PolarHBondContact O-N 3.47Å
342	V	32.1	Very low	33.2	Very low	117 Å²	117	122 Å²	122	71%	0.709	68%	0.683	S	S	*	*			trans	-32.1	110.5	169.8	-178.7	0	0	0	0	113.2	D344	V342-D344 WeakPolarHBondContact CG1-OD2 3.21Å
343	I	37.3	Very low	33.9	Very low	152 Å²	152	122 Å²	122	78%	0.779	68%	0.676	S	S	*	*			trans	-137.3	103.9	159.8	-56	179.9	0	0	0	107.3	D341	D341-I343 PolarHBondContact O-N 3.47Å
344	D	29.1	Very low	34.4	Very low	118 Å²	118	119.8 Å²	119.8	63%	0.631	67%	0.668	S	S	*	*			trans	-80.5	137.1	-162.9	-62.5	-54.1	0	0	0	113.7	V342 E346	V342-D344 WeakPolarHBondContact CG1-OD2 3.21Å; D344-E346 VanDerWaalsContact C-N 3.25Å; D344-E346 PolarHBondContact O-N 2.92Å
345	A	34.8	Very low	35.1	Very low	75 Å²	75	120.3 Å²	120.3	62%	0.62	66%	0.664	S	S	*	*	S	Bend	trans	50.5	-17.7	151.2	0	0	0	0	0	122.5	S348 I349	A345-S348 PolarHBondContact O-OG 3.32Å; A345-I349 WeakPolarHBondContact O-CD1 3.38Å; A345-I349 WeakPolarHBondContact O-CG1 3.27Å
346	E	34.3	Very low	36.2	Very low	147 Å²	147	117.2 Å²	117.2	69%	0.687	65%	0.646	S	S	*	*	S	Bend	trans	-82.8	-25.5	-169.1	-69.3	-175.7	161.7	0	0	113.7	D344 I349	D344-E346 VanDerWaalsContact C-N 3.25Å; D344-E346 PolarHBondContact O-N 2.92Å; E346-I349 PolarHBondContact O-N 2.7Å
347	T	34	Very low	37.5	Very low	98 Å²	98	117 Å²	117	60%	0.601	64%	0.64	S	S	*	*	H	α-helix	trans	-81.1	-31	-174.9	-28.2	0	0	0	0	112.9	I349 Q350	T347-I349 PolarHBondContact O-N 3.2Å; T347-Q350 PolarHBondContact O-N 3.37Å
348	S	32.7	Very low	39	Very low	80 Å²	80	115.5 Å²	115.5	56%	0.559	63%	0.634	S	S	*	*	H	α-helix	trans	-66.9	-22.7	170.7	36.1	0	0	0	0	113.1	A345 S351	A345-S348 PolarHBondContact O-OG 3.32Å; S348-S351 PolarHBondContact O-OG 3.22Å
349	I	37.4	Very low	41.1	Very low	80 Å²	80	112.4 Å²	112.4	41%	0.41	61%	0.609	S	S	.	*	H	α-helix	trans	-75.6	-30.6	176.2	-62.3	171.8	0	0	0	110.4	A345 E346 T347 R353	A345-I349 WeakPolarHBondContact O-CD1 3.38Å; A345-I349 WeakPolarHBondContact O-CG1 3.27Å; E346-I349 PolarHBondContact O-N 2.7Å; T347-I349 PolarHBondContact O-N 3.2Å; I349-R353 HydrophobicContact CG2-CG 4.46Å; I349-R353 VanDerWaalsContact O-CG 3.28Å; I349-R353 WeakPolarHBondContact O-CG 3.41Å; I349-R353 PolarHBondContact O-N 2.92Å; I349-R353 VanDerWaalsContact O-N 3.16Å
350	Q	35.3	Very low	43.4	Very low	118 Å²	118	109.6 Å²	109.6	55%	0.551	58%	0.58	S	S	*	*	H	α-helix	trans	-73.6	-37.7	-177.7	-66.9	-178	5.2	0	0	113.1	T347 N352 R353 Q354	T347-Q350 PolarHBondContact O-N 3.37Å; Q350-N352 VanDerWaalsContact C-N 3.32Å; Q350-N352 PolarHBondContact O-N 3.49Å; Q350-R353 PolarHBondContact O-N 3.08Å; Q350-Q354 PolarHBondContact O-N 2.84Å
351	S	35.3	Very low	46.3	Very low	75 Å²	75	104.7 Å²	104.7	52%	0.524	57%	0.565	S	S	.	*	H	α-helix	trans	-68.3	-31.1	176.2	55.6	0	0	0	0	112.7	S348	S348-S351 PolarHBondContact O-OG 3.22Å
352	N	39.3	Very low	49	Very low	124 Å²	124	100.5 Å²	100.5	66%	0.663	54%	0.542	S	S	*	.	H	α-helix	trans	-77.2	-29.8	176.2	-121.3	3.9	0	0	0	112.8	Q350 N355 G356	Q350-N352 VanDerWaalsContact C-N 3.32Å; Q350-N352 PolarHBondContact O-N 3.49Å; N352-N355 PolarHBondContact O-N 2.9Å; N352-G356 PolarHBondContact O-N 2.73Å
353	R	40.8	Very low	51.8	Low	166 Å²	166	95.8 Å²	95.8	63%	0.626	51%	0.513	S	S	*	.	H	α-helix	trans	-64.6	-39.6	177	-79.9	174.8	-179.3	173.9	4.6	112.7	I349 Q350 N355 G356 E357	I349-R353 HydrophobicContact CG2-CG 4.46Å; I349-R353 VanDerWaalsContact O-CG 3.28Å; I349-R353 WeakPolarHBondContact O-CG 3.41Å; I349-R353 PolarHBondContact O-N 2.92Å; I349-R353 VanDerWaalsContact O-N 3.16Å; Q350-R353 PolarHBondContact O-N 3.08Å; R353-N355 VanDerWaalsContact C-N 3.33Å; R353-N355 PolarHBondContact O-N 3.2Å; R353-G356 PolarHBondContact O-N 3.05Å; R353-E357 PolarHBondContact O-N 2.96Å
354	Q	42.2	Very low	54.4	Low	146 Å²	146	89.6 Å²	89.6	68%	0.682	49%	0.487	S	S	*	.	H	α-helix	trans	-65.1	-36	179.7	-68.5	-173.2	-3.7	0	0	112.7	Q350	Q350-Q354 PolarHBondContact O-N 2.84Å
355	N	48.4	Very low	57.4	Low	102 Å²	102	84.7 Å²	84.7	55%	0.545	46%	0.461	S	S	.	.	H	α-helix	trans	-71.2	-32.7	176.2	-71.6	-17.7	0	0	0	112.6	N352 R353	N352-N355 PolarHBondContact O-N 2.9Å; R353-N355 VanDerWaalsContact C-N 3.33Å; R353-N355 PolarHBondContact O-N 3.2Å
356	G	54.2	Low	60	Low	25 Å²	25	88.4 Å²	88.4	26%	0.258	47%	0.466	S	S	.	.	H	α-helix	trans	-64.8	-37.2	176.8	0	0	0	0	0	113.3	N352 R353 A360	N352-G356 PolarHBondContact O-N 2.73Å; R353-G356 PolarHBondContact O-N 3.05Å; G356-A360 PolarHBondContact O-N 3.04Å
357	E	59.6	Low	62.7	Low	145 Å²	145	85.3 Å²	85.3	68%	0.678	45%	0.451	S	S	*	.	H	α-helix	trans	-71	-35.9	-179.8	-70	-178	175.2	0	0	113.1	R353 E359 A360	R353-E357 PolarHBondContact O-N 2.96Å; E357-E359 VanDerWaalsContact C-N 3.34Å; E357-E359 PolarHBondContact O-N 3.33Å; E357-A360 PolarHBondContact O-N 3.42Å
358	A	68.2	Low	65.5	Low	68 Å²	68	80.8 Å²	80.8	56%	0.562	42%	0.423	S	S	*	.	H	α-helix	trans	-62.9	-41.2	179.3	0	0	0	0	0	112	A360 K361	A358-A360 VanDerWaalsContact C-N 3.34Å; A358-K361 WeakPolarHBondContact O-CB 3.34Å; A358-K361 PolarHBondContact O-N 2.97Å
359	E	74.1	Confident	68.3	Low	92 Å²	92	78 Å²	78	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-75.6	-24.9	179.9	-68.3	-176.3	-136.6	0	0	113.3	K221 F229 E357 K361	K221-E359 WeakPolarHBondContact CE-OE1 3.4Å; K221-E359 WeakPolarHBondContact CE-OE2 3.37Å; K221-E359 IonicContact NZ-OE1 3.88Å; K221-E359 PolarHBondContact NZ-OE1 2.96Å; K221-E359 IonicContact NZ-OE2 3.71Å; K221-E359 PolarHBondContact NZ-OE2 3.33Å; K221-E359 VanDerWaalsContact NZ-OE2 3.11Å; F229-E359 WeakPolarHBondContact CD2-O 3.49Å; E357-E359 VanDerWaalsContact C-N 3.34Å; E357-E359 PolarHBondContact O-N 3.33Å; E359-K361 PolarHBondContact O-N 3.23Å
360	A	81.2	Confident	70.9	Confident	7 Å²	7	77.6 Å²	77.6	6%	0.058	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	2.5	175	0	0	0	0	0	113	R213 A214 G356 E357 A358	R213-A360 HydrophobicContact CB-CB 4.37Å; R213-A360 PolarHBondContact NH1-O 3.35Å; A214-A360 HydrophobicContact CB-CB 3.97Å; G356-A360 PolarHBondContact O-N 3.04Å; E357-A360 PolarHBondContact O-N 3.42Å; A358-A360 VanDerWaalsContact C-N 3.34Å
361	K	89.3	Confident	73.5	Confident	128 Å²	128	74 Å²	74	56%	0.557	39%	0.385	S	S	*	.	S	Bend	trans	-80.9	147.3	-177.9	-168.2	-179.4	173.4	-168.6	0	112.1	R213 A358 E359 V363	R213-K361 VanDerWaalsContact NH1-C 3.27Å; A358-K361 WeakPolarHBondContact O-CB 3.34Å; A358-K361 PolarHBondContact O-N 2.97Å; E359-K361 PolarHBondContact O-N 3.23Å; K361-V363 PolarHBondContact O-N 2.64Å
362	L	89.7	Confident	76.1	Confident	48 Å²	48	70.7 Å²	70.7	25%	0.251	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-72.6	122.9	171.8	-70.2	178.9	0	0	0	108.4	R213 F229 L234	R213-L362 VanDerWaalsContact NH1-CD2 3.29Å; F229-L362 HydrophobicContact CB-CD2 4.32Å; L234-L362 HydrophobicContact CD1-CD1 3.71Å
363	V	91.3	Very high	78.4	Confident	18 Å²	18	66.7 Å²	66.7	11%	0.109	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-79.6	137	-178.4	175.4	0	0	0	0	110.4	I228 F229 W230 K361 E367 L368 L371	I228-V363 HydrophobicContact CG2-CB 4.1Å; I228-V363 HydrophobicContact CG2-CG1 4.43Å; I228-V363 HydrophobicContact CG2-CG2 3.7Å; F229-V363 PolarHBondContact O-N 2.99Å; F229-V363 VanDerWaalsContact O-N 3.07Å; W230-V363 HydrophobicContact CE3-CB 4.49Å; W230-V363 WeakPolarHBondContact CZ3-O 3.41Å; K361-V363 PolarHBondContact O-N 2.64Å; V363-E367 WeakPolarHBondContact CA-OE2 3.32Å; V363-E367 HydrophobicContact CG1-CB 3.72Å; V363-E367 HydrophobicContact CG1-CG 3.76Å; V363-L368 HydrophobicContact CG1-CB 3.78Å; V363-L368 VanDerWaalsContact CG1-N 3.29Å; V363-L371 HydrophobicContact CG1-CD1 4.01Å; V363-L371 HydrophobicContact CG2-CD1 4.15Å
364	G	91.7	Very high	80.6	Confident	22 Å²	22	66.1 Å²	66.1	23%	0.227	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-82.1	167.7	173.9	0	0	0	0	0	113.4	W230 E366 E367 L368	W230-G364 VanDerWaalsContact CZ3-C 3.5Å; W230-G364 WeakPolarHBondContact CZ3-O 3.19Å; G364-E366 PolarHBondContact O-N 3.32Å; G364-E367 PolarHBondContact N-OE2 3.06Å; G364-E367 PolarHBondContact O-N 2.87Å; G364-L368 WeakPolarHBondContact O-CB 3.13Å; G364-L368 PolarHBondContact O-N 3.48Å
365	V	91.4	Very high	82.7	Confident	14 Å²	14	65.2 Å²	65.2	9%	0.085	34%	0.34	C	S	.	.	H	α-helix	trans	-56.7	-49.9	-176.1	-179.9	0	0	0	0	112.1	W230 A235 M239 L368 I369	W230-V365 HydrophobicContact CH2-CB 4.21Å; W230-V365 HydrophobicContact CH2-CG2 3.73Å; A235-V365 HydrophobicContact CB-CG2 3.85Å; M239-V365 HydrophobicContact CE-CG2 4.42Å; V365-L368 PolarHBondContact O-N 2.93Å; V365-I369 HydrophobicContact CG1-CD1 4.14Å; V365-I369 WeakPolarHBondContact O-CG1 3.41Å; V365-I369 PolarHBondContact O-N 2.8Å; V365-I369 VanDerWaalsContact O-N 3.14Å
366	E	90.2	Very high	84.4	Confident	154 Å²	154	61 Å²	61	72%	0.72	32%	0.316	S	S	*	.	H	α-helix	trans	-65.8	-41.4	-179.4	-62.4	-179.6	171.4	0	0	111.6	G364 L368 I369 N370	G364-E366 PolarHBondContact O-N 3.32Å; E366-L368 VanDerWaalsContact C-N 3.35Å; E366-L368 PolarHBondContact O-N 3.43Å; E366-I369 PolarHBondContact O-N 3.07Å; E366-N370 WeakPolarHBondContact O-CB 3.03Å; E366-N370 PolarHBondContact O-N 2.94Å; E366-N370 PolarHBondContact O-ND2 3.25Å; E366-N370 PolarHBondContact O-OD1 3.28Å
367	E	91.6	Very high	85.7	Confident	82 Å²	82	61.3 Å²	61.3	38%	0.383	31%	0.314	S	S	.	.	H	α-helix	trans	-63.3	-40.3	177.4	-170.2	-175.6	-173.3	0	0	111.4	V363 G364 I369 N370 L371	V363-E367 WeakPolarHBondContact CA-OE2 3.32Å; V363-E367 HydrophobicContact CG1-CB 3.72Å; V363-E367 HydrophobicContact CG1-CG 3.76Å; G364-E367 PolarHBondContact N-OE2 3.06Å; G364-E367 PolarHBondContact O-N 2.87Å; E367-I369 PolarHBondContact O-N 3.38Å; E367-N370 PolarHBondContact O-N 3.13Å; E367-L371 HydrophobicContact CG-CD1 4.41Å; E367-L371 WeakPolarHBondContact O-CB 3.33Å; E367-L371 VanDerWaalsContact O-CG 3.25Å; E367-L371 WeakPolarHBondContact O-CG 3.49Å; E367-L371 PolarHBondContact O-N 2.95Å
368	L	92.2	Very high	86.7	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-43.9	175.6	180	63	0	0	0	111.2	L201 I228 W230 V363 G364 V365 E366 N370 L371 L372 I406	L201-L368 HydrophobicContact CD1-CD1 3.93Å; I228-L368 HydrophobicContact CD1-CD1 4.12Å; I228-L368 HydrophobicContact CG2-CD1 4.09Å; W230-L368 HydrophobicContact CD2-CD2 3.92Å; W230-L368 HydrophobicContact CE3-CB 4.25Å; W230-L368 HydrophobicContact CE3-CD2 3.74Å; W230-L368 HydrophobicContact CE3-CG 4.5Å; W230-L368 HydrophobicContact CH2-CD2 4.05Å; W230-L368 HydrophobicContact CZ2-CD2 4.22Å; W230-L368 HydrophobicContact CZ3-CB 3.93Å; W230-L368 HydrophobicContact CZ3-CD2 3.8Å; W230-L368 HydrophobicContact CZ3-CG 4.49Å; V363-L368 HydrophobicContact CG1-CB 3.78Å; V363-L368 VanDerWaalsContact CG1-N 3.29Å; G364-L368 WeakPolarHBondContact O-CB 3.13Å; G364-L368 PolarHBondContact O-N 3.48Å; V365-L368 PolarHBondContact O-N 2.93Å; E366-L368 VanDerWaalsContact C-N 3.35Å; E366-L368 PolarHBondContact O-N 3.43Å; L368-N370 VanDerWaalsContact C-N 3.35Å; L368-L371 PolarHBondContact O-N 3.38Å; L368-L372 HydrophobicContact CD1-CD1 4.23Å; L368-L372 HydrophobicContact CD1-CG 4.36Å; L368-L372 HydrophobicContact CG-CD1 4.12Å; L368-L372 VanDerWaalsContact O-CG 3.26Å; L368-L372 WeakPolarHBondContact O-CG 3.42Å; L368-L372 PolarHBondContact O-N 3.47Å; L368-I406 HydrophobicContact CD2-CD1 4.03Å; L368-I406 HydrophobicContact CD2-CG1 4.35Å
369	I	91.3	Very high	86.7	Confident	22 Å²	22	58.2 Å²	58.2	11%	0.113	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-44	177.4	-67.2	167.6	0	0	0	110.4	V365 E366 E367 L372 T373 I406 L433	V365-I369 HydrophobicContact CG1-CD1 4.14Å; V365-I369 WeakPolarHBondContact O-CG1 3.41Å; V365-I369 PolarHBondContact O-N 2.8Å; V365-I369 VanDerWaalsContact O-N 3.14Å; E366-I369 PolarHBondContact O-N 3.07Å; E367-I369 PolarHBondContact O-N 3.38Å; I369-L372 PolarHBondContact O-N 3.46Å; I369-T373 WeakPolarHBondContact O-CB 3.4Å; I369-T373 PolarHBondContact O-N 3Å; I369-T373 PolarHBondContact O-OG1 2.92Å; I369-I406 HydrophobicContact CD1-CG2 4.12Å; I369-I406 HydrophobicContact CG1-CG2 4.29Å; I369-L433 HydrophobicContact CG2-CD2 4.01Å
370	N	91.5	Very high	86.4	Confident	72 Å²	72	56.8 Å²	56.8	39%	0.385	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-43.9	178.7	-66	-10.4	0	0	0	111.1	E366 E367 L368 L372 T373 E374	E366-N370 WeakPolarHBondContact O-CB 3.03Å; E366-N370 PolarHBondContact O-N 2.94Å; E366-N370 PolarHBondContact O-ND2 3.25Å; E366-N370 PolarHBondContact O-OD1 3.28Å; E367-N370 PolarHBondContact O-N 3.13Å; L368-N370 VanDerWaalsContact C-N 3.35Å; N370-L372 VanDerWaalsContact C-N 3.34Å; N370-L372 PolarHBondContact O-N 2.92Å; N370-T373 PolarHBondContact O-N 2.88Å; N370-E374 VanDerWaalsContact O-CB 3.32Å; N370-E374 WeakPolarHBondContact O-CB 3.21Å; N370-E374 PolarHBondContact O-N 3.04Å
371	L	90.8	Very high	85.7	Confident	43 Å²	43	59.9 Å²	59.9	23%	0.225	32%	0.315	C	S	.	.	I	π-helix	trans	-58.5	-44.9	175.3	-74.2	174.4	0	0	0	111.8	I228 V363 E367 L368 T373 K375 Y376	I228-L371 HydrophobicContact CD1-CD1 4.43Å; I228-L371 HydrophobicContact CG2-CD1 4.5Å; V363-L371 HydrophobicContact CG1-CD1 4.01Å; V363-L371 HydrophobicContact CG2-CD1 4.15Å; E367-L371 HydrophobicContact CG-CD1 4.41Å; E367-L371 WeakPolarHBondContact O-CB 3.33Å; E367-L371 VanDerWaalsContact O-CG 3.25Å; E367-L371 WeakPolarHBondContact O-CG 3.49Å; E367-L371 PolarHBondContact O-N 2.95Å; L368-L371 PolarHBondContact O-N 3.38Å; L371-T373 VanDerWaalsContact C-N 3.34Å; L371-T373 PolarHBondContact O-N 2.97Å; L371-K375 HydrophobicContact CD2-CB 4.48Å; L371-K375 HydrophobicContact CD2-CD 4.05Å; L371-K375 WeakPolarHBondContact O-CB 3.49Å; L371-K375 PolarHBondContact O-N 3.43Å; L371-K375 VanDerWaalsContact O-N 3.17Å; L371-Y376 HydrophobicContact CB-CE2 4.29Å; L371-Y376 WeakPolarHBondContact O-CD2 3.33Å; L371-Y376 PolarHBondContact O-N 3.49Å; L371-Y376 VanDerWaalsContact O-N 3.16Å
372	L	89.3	Confident	84.3	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.026	33%	0.331	C	S	.	.	I	π-helix	trans	-67.5	-34.1	178.8	-68.3	171.6	0	0	0	112.7	V167 V169 L368 I369 N370 V389	V167-L372 HydrophobicContact CG1-CD2 4.29Å; V169-L372 HydrophobicContact CG2-CD2 3.74Å; L368-L372 HydrophobicContact CD1-CD1 4.23Å; L368-L372 HydrophobicContact CD1-CG 4.36Å; L368-L372 HydrophobicContact CG-CD1 4.12Å; L368-L372 VanDerWaalsContact O-CG 3.26Å; L368-L372 WeakPolarHBondContact O-CG 3.42Å; L368-L372 PolarHBondContact O-N 3.47Å; I369-L372 PolarHBondContact O-N 3.46Å; N370-L372 VanDerWaalsContact C-N 3.34Å; N370-L372 PolarHBondContact O-N 2.92Å; L372-V389 HydrophobicContact CD1-CG1 4.36Å; L372-V389 HydrophobicContact CD2-CG1 4.5Å
373	T	88.2	Confident	83.2	Confident	39 Å²	39	63.6 Å²	63.6	24%	0.239	34%	0.339	C	S	.	.	I	π-helix	trans	-88.4	-36.6	-174.1	-50.6	0	0	0	0	113.2	I369 N370 L371 S377 L387	I369-T373 WeakPolarHBondContact O-CB 3.4Å; I369-T373 PolarHBondContact O-N 3Å; I369-T373 PolarHBondContact O-OG1 2.92Å; N370-T373 PolarHBondContact O-N 2.88Å; L371-T373 VanDerWaalsContact C-N 3.34Å; L371-T373 PolarHBondContact O-N 2.97Å; T373-S377 WeakPolarHBondContact O-CB 3.49Å; T373-L387 HydrophobicContact CG2-CD2 4.38Å
374	E	86.4	Confident	82.3	Confident	154 Å²	154	72.9 Å²	72.9	72%	0.72	38%	0.378	S	S	*	.	I	π-helix	trans	-99.3	-46.9	-173.8	-61.7	178.5	173.4	0	0	112	N370	N370-E374 VanDerWaalsContact O-CB 3.32Å; N370-E374 WeakPolarHBondContact O-CB 3.21Å; N370-E374 PolarHBondContact O-N 3.04Å
375	K	85.4	Confident	81.9	Confident	127 Å²	127	77 Å²	77	55%	0.552	40%	0.395	S	S	*	.	I	π-helix	trans	-85.6	-44.5	-171.8	-173.7	-176.7	178.3	-169.9	0	112.8	L371	L371-K375 HydrophobicContact CD2-CB 4.48Å; L371-K375 HydrophobicContact CD2-CD 4.05Å; L371-K375 WeakPolarHBondContact O-CB 3.49Å; L371-K375 PolarHBondContact O-N 3.43Å; L371-K375 VanDerWaalsContact O-N 3.17Å
376	Y	85.2	Confident	81.8	Confident	15 Å²	15	78.2 Å²	78.2	6%	0.059	40%	0.403	C	S	.	.	S	Bend	trans	-99.7	-3.7	-174.5	-59.1	-65	0	0	0	113.5	V167 T197 V199 N226 I228 L371	V167-Y376 WeakPolarHBondContact CG2-O 3.44Å; T197-Y376 WeakPolarHBondContact CG2-O 3.28Å; T197-Y376 PolarHBondContact OG1-O 2.82Å; V199-Y376 HydrophobicContact CG1-CE2 4.26Å; V199-Y376 HydrophobicContact CG2-CD1 3.6Å; V199-Y376 HydrophobicContact CG2-CD2 3.95Å; V199-Y376 HydrophobicContact CG2-CE1 4.01Å; V199-Y376 HydrophobicContact CG2-CE2 4.32Å; V199-Y376 HydrophobicContact CG2-CG 3.57Å; N226-Y376 HydrophobicContact CB-CE1 3.76Å; I228-Y376 HydrophobicContact CD1-CD2 4.46Å; I228-Y376 HydrophobicContact CD1-CE2 3.73Å; I228-Y376 HydrophobicContact CG1-CE2 4.4Å; L371-Y376 HydrophobicContact CB-CE2 4.29Å; L371-Y376 WeakPolarHBondContact O-CD2 3.33Å; L371-Y376 PolarHBondContact O-N 3.49Å; L371-Y376 VanDerWaalsContact O-N 3.16Å
377	S	81.5	Confident	81.9	Confident	30 Å²	30	71 Å²	71	21%	0.21	37%	0.37	C	S	.	.	S	Bend	trans	-66.2	133.2	173.4	-178.4	0	0	0	0	109.9	T373 S379 R381	T373-S377 WeakPolarHBondContact O-CB 3.49Å; S377-S379 PolarHBondContact O-N 2.95Å; S377-R381 WeakPolarHBondContact OG-CD 3.33Å
378	P	79.4	Confident	82	Confident	16 Å²	16	68.1 Å²	68.1	10%	0.104	36%	0.358	C	S	.	.			trans	-61.7	126.4	-179.3	22	-31.3	0	0	0	111	D166 N195 S380 R381	D166-P378 HydrophobicContact CB-CG 4.3Å; N195-P378 WeakPolarHBondContact O-CB 3.46Å; P378-S380 PolarHBondContact O-N 3.38Å; P378-R381 HydrophobicContact CG-CG 4.04Å; P378-R381 WeakPolarHBondContact O-CB 3.39Å; P378-R381 PolarHBondContact O-N 2.86Å; P378-R381 VanDerWaalsContact O-N 3.13Å
379	S	70	Confident	82.1	Confident	133 Å²	133	68 Å²	68	93%	0.93	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.7	-178.6	-46.7	0	0	0	0	113.6	S377 R381	S377-S379 PolarHBondContact O-N 2.95Å; S379-R381 VanDerWaalsContact C-N 3.29Å; S379-R381 PolarHBondContact O-N 3.1Å
380	S	67.8	Low	82.3	Confident	62 Å²	62	67 Å²	67	43%	0.434	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	3.8	178.4	61.1	0	0	0	0	114.3	P378 Q382	P378-S380 PolarHBondContact O-N 3.38Å; S380-Q382 PolarHBondContact O-N 2.76Å
381	R	66.3	Low	82.6	Confident	72 Å²	72	63.6 Å²	63.6	27%	0.272	33%	0.334	S	S	.	.			trans	-64.1	91.7	179.4	-101.9	173.4	162	-103.1	-18.4	112.1	D166 S377 P378 S379 D385 P386 L387	D166-R381 IonicContact OD1-CZ 3.7Å; D166-R381 IonicContact OD1-NE 3.51Å; D166-R381 IonicContact OD1-NH2 3.34Å; D166-R381 PolarHBondContact OD1-NH2 3.1Å; D166-R381 IonicContact OD2-CZ 2.81Å; D166-R381 IonicContact OD2-NE 3.36Å; D166-R381 IonicContact OD2-NH2 2.73Å; D166-R381 PolarHBondContact OD2-NH2 2.81Å; S377-R381 WeakPolarHBondContact OG-CD 3.33Å; P378-R381 HydrophobicContact CG-CG 4.04Å; P378-R381 WeakPolarHBondContact O-CB 3.39Å; P378-R381 PolarHBondContact O-N 2.86Å; P378-R381 VanDerWaalsContact O-N 3.13Å; S379-R381 VanDerWaalsContact C-N 3.29Å; S379-R381 PolarHBondContact O-N 3.1Å; R381-D385 PolarHBondContact NH1-O 3.26Å; R381-P386 PolarHBondContact NH2-O 2.66Å; R381-L387 VanDerWaalsContact CZ-CA 3.44Å; R381-L387 VanDerWaalsContact NH1-CA 3.34Å
382	Q	60.1	Low	82.8	Confident	191 Å²	191	61.6 Å²	61.6	89%	0.893	32%	0.323	S	S	*	.			trans	-93.5	-8.9	165.3	-63.5	-177.3	4.9	0	0	112.2	S380	S380-Q382 PolarHBondContact O-N 2.76Å
383	S	65.1	Low	83	Confident	62 Å²	62	61.3 Å²	61.3	43%	0.434	32%	0.322	S	S	.	.			trans	-74.1	141.1	-177.9	170.7	0	0	0	0	112	D385	S383-D385 PolarHBondContact O-N 3.48Å; S383-D385 VanDerWaalsContact OG-CB 3.25Å; S383-D385 WeakPolarHBondContact OG-CB 3.48Å; S383-D385 PolarHBondContact OG-N 3.45Å; S383-D385 PolarHBondContact OG-OD2 3.2Å
384	K	73.2	Confident	83.2	Confident	213 Å²	213	59.5 Å²	59.5	93%	0.926	31%	0.311	S	S	*	.			trans	-74.8	-2.9	170.7	-68.8	-176.7	179.1	178.7	0	113
385	D	82.8	Confident	83.5	Confident	109 Å²	109	52.7 Å²	52.7	58%	0.583	28%	0.28	S	S	*	.	S	Bend	trans	-76.4	144.6	-175.4	-60.7	-38.1	0	0	0	111.8	R381 S383	R381-D385 PolarHBondContact NH1-O 3.26Å; S383-D385 PolarHBondContact O-N 3.48Å; S383-D385 VanDerWaalsContact OG-CB 3.25Å; S383-D385 WeakPolarHBondContact OG-CB 3.48Å; S383-D385 PolarHBondContact OG-N 3.45Å; S383-D385 PolarHBondContact OG-OD2 3.2Å
386	P	89.1	Confident	83.8	Confident	39 Å²	39	48.5 Å²	48.5	25%	0.253	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-59.7	148.8	177.5	25.3	-34.5	0	0	0	111.8	R381 T388 D432 I434	R381-P386 PolarHBondContact NH2-O 2.66Å; P386-T388 PolarHBondContact O-N 3.28Å; P386-D432 CarbonylContact C-O 3.56Å; P386-D432 WeakPolarHBondContact CA-O 3.29Å; P386-I434 HydrophobicContact CB-CD1 4Å; P386-I434 HydrophobicContact CB-CG1 4Å; P386-I434 HydrophobicContact CG-CD1 3.37Å; P386-I434 HydrophobicContact CG-CG1 3.95Å
387	L	92	Very high	84.2	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	120.3	174.1	-174.2	66.1	0	0	0	110.1	D166 V167 T373 R381 V389 D432 L433 I434	D166-L387 HydrophobicContact CB-CD1 3.88Å; V167-L387 HydrophobicContact CG2-CD1 4.22Å; T373-L387 HydrophobicContact CG2-CD2 4.38Å; R381-L387 VanDerWaalsContact CZ-CA 3.44Å; R381-L387 VanDerWaalsContact NH1-CA 3.34Å; L387-V389 HydrophobicContact CD2-CG2 4.29Å; L387-V389 HydrophobicContact CG-CG2 4.18Å; L387-D432 WeakPolarHBondContact CB-O 3.37Å; L387-D432 PolarHBondContact N-O 3.17Å; L387-L433 HydrophobicContact CB-CD1 4.2Å; L387-L433 HydrophobicContact CD2-CD1 4.14Å; L387-L433 HydrophobicContact CG-CD1 4.28Å; L387-L433 WeakPolarHBondContact O-CA 3.43Å; L387-I434 PolarHBondContact O-N 2.83Å
388	T	93.9	Very high	84.7	Confident	21 Å²	21	47 Å²	47	13%	0.129	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.9	177.2	-57.8	0	0	0	0	109.9	R164 S165 D166 V167 P386 I434	R164-T388 WeakPolarHBondContact O-CB 3.45Å; R164-T388 WeakPolarHBondContact O-CG2 3.39Å; S165-T388 CarbonylContact C-O 3.44Å; S165-T388 WeakPolarHBondContact CA-O 3.36Å; D166-T388 PolarHBondContact N-O 3.02Å; D166-T388 PolarHBondContact OD2-N 3.03Å; V167-T388 PolarHBondContact N-O 3.36Å; P386-T388 PolarHBondContact O-N 3.28Å; T388-I434 CarbonylContact C-O 3.46Å; T388-I434 WeakPolarHBondContact CA-O 3.15Å; T388-I434 HydrophobicContact CG2-CG2 4.37Å
389	V	95.5	Very high	85.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.3	178.1	-176.3	0	0	0	0	109.6	V167 V169 L372 L387 F391 L433 I434 L435 C436	V167-V389 HydrophobicContact CB-CG1 4.43Å; V167-V389 HydrophobicContact CB-CG2 4.29Å; V167-V389 HydrophobicContact CG1-CG1 4.45Å; V167-V389 CarbonylContact O-C 3.47Å; V167-V389 WeakPolarHBondContact O-CA 3.27Å; V169-V389 HydrophobicContact CG2-CG1 3.54Å; L372-V389 HydrophobicContact CD1-CG1 4.36Å; L372-V389 HydrophobicContact CD2-CG1 4.5Å; L387-V389 HydrophobicContact CD2-CG2 4.29Å; L387-V389 HydrophobicContact CG-CG2 4.18Å; V389-F391 HydrophobicContact CG1-CD2 4.5Å; V389-F391 HydrophobicContact CG1-CE2 3.99Å; V389-F391 HydrophobicContact CG1-CZ 4.47Å; V389-L433 HydrophobicContact CG2-CD1 3.69Å; V389-I434 PolarHBondContact N-O 3.47Å; V389-L435 HydrophobicContact CB-CD2 3.85Å; V389-L435 HydrophobicContact CG2-CD2 4.3Å; V389-L435 CarbonylContact O-C 3.59Å; V389-L435 WeakPolarHBondContact O-CA 3.41Å; V389-C436 PolarHBondContact O-N 3Å
390	G	95.7	Very high	86.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.7	179.2	0	0	0	0	0	112.5	V167 V169	V167-G390 PolarHBondContact O-N 3.09Å; V169-G390 PolarHBondContact N-O 2.95Å
391	F	96.4	Very high	87.7	Confident	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.7	174.9	-73	-98.8	0	0	0	110.8	V169 V171 L201 V389 T402 L403 I406 L435 C436 C438	V169-F391 HydrophobicContact CB-CD1 4.14Å; V169-F391 HydrophobicContact CB-CE1 4.23Å; V169-F391 HydrophobicContact CG1-CD1 4.03Å; V169-F391 HydrophobicContact CG1-CE1 3.96Å; V169-F391 WeakPolarHBondContact O-CA 3.43Å; V171-F391 HydrophobicContact CG2-CD1 3.71Å; L201-F391 HydrophobicContact CD2-CE1 4.1Å; V389-F391 HydrophobicContact CG1-CD2 4.5Å; V389-F391 HydrophobicContact CG1-CE2 3.99Å; V389-F391 HydrophobicContact CG1-CZ 4.47Å; F391-T402 HydrophobicContact CE1-CG2 4.13Å; F391-L403 HydrophobicContact CD2-CD2 3.63Å; F391-L403 HydrophobicContact CE2-CD2 3.69Å; F391-L403 HydrophobicContact CG-CD2 4.16Å; F391-L403 HydrophobicContact CZ-CD2 4.28Å; F391-I406 HydrophobicContact CZ-CD1 3.94Å; F391-L435 HydrophobicContact CE2-CB 4.25Å; F391-L435 HydrophobicContact CE2-CD1 4.11Å; F391-L435 HydrophobicContact CE2-CD2 4.07Å; F391-L435 HydrophobicContact CE2-CG 4.35Å; F391-C436 PolarHBondContact N-O 3.32Å; F391-C438 WeakPolarHBondContact O-CB 3.44Å; F391-C438 PolarHBondContact O-N 3.09Å; F391-C438 VanDerWaalsContact O-N 3.15Å
392	I	95.4	Very high	89.1	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.8	-177.1	-57	171.8	0	0	0	109.4	L158 V161 V162 V168 V169 Q170 V171 L185 C438 M443	L158-I392 HydrophobicContact CD1-CB 4.47Å; L158-I392 HydrophobicContact CD1-CD1 3.66Å; L158-I392 HydrophobicContact CD1-CG1 4.06Å; L158-I392 HydrophobicContact CD1-CG2 3.56Å; V161-I392 HydrophobicContact CG1-CD1 4.2Å; V161-I392 HydrophobicContact CG1-CG1 4.09Å; V162-I392 HydrophobicContact CG2-CD1 3.89Å; V168-I392 HydrophobicContact CG1-CD1 3.44Å; V168-I392 VanDerWaalsContact CG1-CD1 3.44Å; V168-I392 HydrophobicContact CG1-CG1 4.27Å; V169-I392 PolarHBondContact O-N 3.26Å; Q170-I392 WeakPolarHBondContact CA-O 3.31Å; V171-I392 PolarHBondContact N-O 3.39Å; L185-I392 HydrophobicContact CD1-CD1 4.47Å; L185-I392 HydrophobicContact CD2-CB 4.49Å; L185-I392 HydrophobicContact CD2-CG2 4.1Å; I392-C438 HydrophobicContact CG1-CB 4.2Å; I392-M443 HydrophobicContact CG2-CE 3.72Å
393	G	93.6	Very high	90.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.154	C	C	.	.			trans	156.4	174.3	173.3	0	0	0	0	0	114.1	K399 L441	G393-K399 WeakPolarHBondContact O-CE 3.46Å; G393-K399 PolarHBondContact O-NZ 3.04Å; G393-L441 PolarHBondContact O-N 3.2Å
394	Y	92.9	Very high	92.1	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	14%	0.138	C	C	.	.			trans	-65.4	158.9	-174.1	-75.7	-117.9	0	0	0	112.7	Y180 V397 K399 L441 V442 M443 I458	Y180-Y394 HydrophobicContact CD1-CD1 4.04Å; Y180-Y394 HydrophobicContact CD1-CD2 4Å; Y180-Y394 AromaticContact CD1-CG 3.63Å; Y180-Y394 HydrophobicContact CD1-CG 3.63Å; Y180-Y394 HydrophobicContact CE1-CD1 4.47Å; Y180-Y394 HydrophobicContact CE1-CG 4.33Å; Y180-Y394 WeakPolarHBondContact O-CE2 3.42Å; Y394-V397 WeakPolarHBondContact O-CG2 3.23Å; Y394-K399 PolarHBondContact O-NZ 3.41Å; Y394-L441 WeakPolarHBondContact CA-O 3.16Å; Y394-V442 HydrophobicContact CD1-CB 4.31Å; Y394-V442 HydrophobicContact CD1-CG1 3.8Å; Y394-V442 HydrophobicContact CD1-CG2 4.45Å; Y394-V442 HydrophobicContact CE1-CB 4.33Å; Y394-V442 HydrophobicContact CE1-CG1 3.53Å; Y394-M443 HydrophobicContact CE2-CB 4.15Å; Y394-M443 HydrophobicContact CE2-CG 4.4Å; Y394-M443 WeakPolarHBondContact OH-CB 3.45Å; Y394-M443 PolarHBondContact OH-O 3.16Å; Y394-I458 HydrophobicContact CD1-CD1 3.77Å; Y394-I458 HydrophobicContact CD1-CG1 4.08Å; Y394-I458 HydrophobicContact CD1-CG2 4.37Å; Y394-I458 HydrophobicContact CE1-CD1 4.02Å
395	P	91.7	Very high	93.1	Very high	10 Å²	10	15.6 Å²	15.6	7%	0.065	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	150.2	170.4	-23.5	33.7	0	0	0	112.3	V397 P418 V442	P395-V397 PolarHBondContact O-N 3.19Å; P395-P418 HydrophobicContact CB-CB 3.63Å; P395-P418 HydrophobicContact CG-CB 4.26Å; P395-V442 HydrophobicContact CG-CG2 3.9Å
396	N	92	Very high	93.6	Very high	40 Å²	40	11.1 Å²	11.1	21%	0.214	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	3	172.7	-58.3	-23.6	0	0	0	118.1	K204 G398 V416 G457	K204-N396 PolarHBondContact NZ-O 3.19Å; N396-G398 PolarHBondContact O-N 2.87Å; N396-V416 PolarHBondContact ND2-O 3Å; N396-V416 PolarHBondContact OD1-O 3.3Å; N396-G457 PolarHBondContact ND2-O 2.67Å
397	V	93.4	Very high	93.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-70	-14.7	171.8	-55.3	0	0	0	0	113	V171 D173 Y180 N203 Y394 P395 K399	V171-V397 HydrophobicContact CB-CG2 4.07Å; V171-V397 HydrophobicContact CG1-CB 4.43Å; V171-V397 HydrophobicContact CG1-CG2 3.84Å; D173-V397 HydrophobicContact CB-CG1 4.45Å; Y180-V397 HydrophobicContact CD1-CG1 3.71Å; Y180-V397 HydrophobicContact CE1-CG1 3.9Å; Y180-V397 HydrophobicContact CG-CG1 4.2Å; N203-V397 PolarHBondContact ND2-O 2.86Å; Y394-V397 WeakPolarHBondContact O-CG2 3.23Å; P395-V397 PolarHBondContact O-N 3.19Å; V397-K399 HydrophobicContact CG2-CD 4.27Å; V397-K399 HydrophobicContact CG2-CG 3.69Å
398	G	92.5	Very high	93.6	Very high	13 Å²	13	12.7 Å²	12.7	13%	0.134	9%	0.088	C	C	.	.	S	Bend	trans	96.4	27.1	176.2	0	0	0	0	0	115.9	N396 S401 T402	N396-G398 PolarHBondContact O-N 2.87Å; G398-S401 PolarHBondContact O-N 3.48Å; G398-T402 WeakPolarHBondContact O-CB 3.48Å; G398-T402 PolarHBondContact O-N 3.1Å; G398-T402 PolarHBondContact O-OG1 2.73Å
399	K	93.5	Very high	93.4	Very high	11 Å²	11	16.9 Å²	16.9	5%	0.048	11%	0.106	C	C	.	.	H	α-helix	trans	-54.1	-61.2	174.8	-64.8	-179.9	-56.9	-61.8	0	112.8	V171 G393 Y394 V397 S401 T402 L403	V171-K399 HydrophobicContact CB-CG 3.75Å; V171-K399 HydrophobicContact CG1-CG 4.2Å; V171-K399 HydrophobicContact CG2-CG 3.83Å; G393-K399 WeakPolarHBondContact O-CE 3.46Å; G393-K399 PolarHBondContact O-NZ 3.04Å; Y394-K399 PolarHBondContact O-NZ 3.41Å; V397-K399 HydrophobicContact CG2-CD 4.27Å; V397-K399 HydrophobicContact CG2-CG 3.69Å; K399-S401 VanDerWaalsContact C-N 3.25Å; K399-S401 PolarHBondContact O-N 3.12Å; K399-T402 WeakPolarHBondContact O-CA 3.49Å; K399-T402 VanDerWaalsContact O-CB 3.31Å; K399-T402 WeakPolarHBondContact O-CB 3.42Å; K399-T402 PolarHBondContact O-N 3.42Å; K399-L403 PolarHBondContact O-N 2.86Å
400	S	93.4	Very high	93.1	Very high	14 Å²	14	24.6 Å²	24.6	10%	0.098	14%	0.139	C	C	.	.	H	α-helix	trans	-65.4	-28.2	-179.5	-49.1	0	0	0	0	112.7	L403 N404 T421 D437	S400-L403 PolarHBondContact O-N 3.2Å; S400-N404 PolarHBondContact O-N 2.85Å; S400-N404 VanDerWaalsContact O-N 3.1Å; S400-N404 PolarHBondContact O-ND2 3.34Å; S400-T421 PolarHBondContact OG-OG1 3.09Å; S400-D437 PolarHBondContact OG-OD2 2.79Å
401	S	93.6	Very high	92.9	Very high	47 Å²	47	29.6 Å²	29.6	33%	0.329	16%	0.161	S	C	.	.	H	α-helix	trans	-67.6	-39.8	170.8	-55.6	0	0	0	0	112.1	G398 K399 L403 N404 A405	G398-S401 PolarHBondContact O-N 3.48Å; K399-S401 VanDerWaalsContact C-N 3.25Å; K399-S401 PolarHBondContact O-N 3.12Å; S401-L403 VanDerWaalsContact C-N 3.35Å; S401-N404 PolarHBondContact O-N 3.3Å; S401-A405 WeakPolarHBondContact O-CB 3.26Å; S401-A405 PolarHBondContact O-N 3.31Å
402	T	95.2	Very high	92.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-42.4	174.8	-60.2	0	0	0	0	110.9	L201 F391 G398 K399 N404 A405 I406	L201-T402 HydrophobicContact CD2-CG2 3.89Å; F391-T402 HydrophobicContact CE1-CG2 4.13Å; G398-T402 WeakPolarHBondContact O-CB 3.48Å; G398-T402 PolarHBondContact O-N 3.1Å; G398-T402 PolarHBondContact O-OG1 2.73Å; K399-T402 WeakPolarHBondContact O-CA 3.49Å; K399-T402 VanDerWaalsContact O-CB 3.31Å; K399-T402 WeakPolarHBondContact O-CB 3.42Å; K399-T402 PolarHBondContact O-N 3.42Å; T402-N404 PolarHBondContact O-N 2.92Å; T402-A405 WeakPolarHBondContact O-CB 3.32Å; T402-A405 PolarHBondContact O-N 3.05Å; T402-I406 HydrophobicContact CG2-CD1 3.93Å; T402-I406 WeakPolarHBondContact O-CG1 3.32Å; T402-I406 PolarHBondContact O-N 3.33Å
403	L	94.4	Very high	92.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-45.2	175.3	-67.1	175.1	0	0	0	112.3	F391 K399 S400 S401 A405 I406 L407 V412 I427 L435 D437	F391-L403 HydrophobicContact CD2-CD2 3.63Å; F391-L403 HydrophobicContact CE2-CD2 3.69Å; F391-L403 HydrophobicContact CG-CD2 4.16Å; F391-L403 HydrophobicContact CZ-CD2 4.28Å; K399-L403 PolarHBondContact O-N 2.86Å; S400-L403 PolarHBondContact O-N 3.2Å; S401-L403 VanDerWaalsContact C-N 3.35Å; L403-A405 VanDerWaalsContact C-N 3.31Å; L403-A405 PolarHBondContact O-N 2.94Å; L403-I406 PolarHBondContact O-N 2.93Å; L403-L407 WeakPolarHBondContact O-CB 3.49Å; L403-L407 WeakPolarHBondContact O-CD1 3.34Å; L403-L407 VanDerWaalsContact O-CG 3.24Å; L403-L407 WeakPolarHBondContact O-CG 3.24Å; L403-L407 PolarHBondContact O-N 2.89Å; L403-V412 HydrophobicContact CD1-CG2 4.48Å; L403-I427 HydrophobicContact CD1-CD1 4.1Å; L403-L435 HydrophobicContact CD2-CB 3.96Å; L403-L435 HydrophobicContact CD2-CD1 3.73Å; L403-D437 HydrophobicContact CD1-CB 3.41Å; L403-D437 VanDerWaalsContact CD1-CB 3.41Å
404	N	94.3	Very high	92.3	Very high	17 Å²	17	35.2 Å²	35.2	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-36.1	175.7	-71.9	-26.6	0	0	0	112.3	S400 S401 T402 L407 G408 K411 V412	S400-N404 PolarHBondContact O-N 2.85Å; S400-N404 VanDerWaalsContact O-N 3.1Å; S400-N404 PolarHBondContact O-ND2 3.34Å; S401-N404 PolarHBondContact O-N 3.3Å; T402-N404 PolarHBondContact O-N 2.92Å; N404-L407 PolarHBondContact O-N 3.27Å; N404-G408 PolarHBondContact O-N 3.12Å; N404-K411 PolarHBondContact OD1-N 3.46Å; N404-V412 PolarHBondContact ND2-O 3.05Å; N404-V412 PolarHBondContact OD1-N 3.36Å
405	A	93.9	Very high	92.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-41.8	175.8	0	0	0	0	0	111.7	W230 A232 A235 S236 S401 T402 L403 G408	W230-A405 HydrophobicContact CZ2-CB 4.25Å; A232-A405 HydrophobicContact CB-CB 4.38Å; A235-A405 HydrophobicContact CB-CB 4.06Å; S236-A405 WeakPolarHBondContact OG-CB 3.3Å; S401-A405 WeakPolarHBondContact O-CB 3.26Å; S401-A405 PolarHBondContact O-N 3.31Å; T402-A405 WeakPolarHBondContact O-CB 3.32Å; T402-A405 PolarHBondContact O-N 3.05Å; L403-A405 VanDerWaalsContact C-N 3.31Å; L403-A405 PolarHBondContact O-N 2.94Å; A405-G408 PolarHBondContact O-N 3.35Å
406	I	93	Very high	91.8	Very high	14 Å²	14	41.8 Å²	41.8	7%	0.072	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-39.2	175.7	-66.3	165.7	0	0	0	111.3	L368 I369 F391 T402 L403 G408 L435	L368-I406 HydrophobicContact CD2-CD1 4.03Å; L368-I406 HydrophobicContact CD2-CG1 4.35Å; I369-I406 HydrophobicContact CD1-CG2 4.12Å; I369-I406 HydrophobicContact CG1-CG2 4.29Å; F391-I406 HydrophobicContact CZ-CD1 3.94Å; T402-I406 HydrophobicContact CG2-CD1 3.93Å; T402-I406 WeakPolarHBondContact O-CG1 3.32Å; T402-I406 PolarHBondContact O-N 3.33Å; L403-I406 PolarHBondContact O-N 2.93Å; I406-G408 VanDerWaalsContact C-N 3.3Å; I406-G408 PolarHBondContact O-N 3.49Å; I406-L435 HydrophobicContact CD1-CD1 4.25Å; I406-L435 HydrophobicContact CG2-CD1 3.99Å
407	L	92	Very high	91.3	Very high	26 Å²	26	43.6 Å²	43.6	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-74.8	-17.7	179.3	-72	165.7	0	0	0	114	L403 N404 H409 K411 I427 V429	L403-L407 WeakPolarHBondContact O-CB 3.49Å; L403-L407 WeakPolarHBondContact O-CD1 3.34Å; L403-L407 VanDerWaalsContact O-CG 3.24Å; L403-L407 WeakPolarHBondContact O-CG 3.24Å; L403-L407 PolarHBondContact O-N 2.89Å; N404-L407 PolarHBondContact O-N 3.27Å; L407-H409 PolarHBondContact O-N 3.4Å; L407-H409 VanDerWaalsContact O-N 3.13Å; L407-H409 PolarHBondContact O-ND1 3.05Å; L407-K411 HydrophobicContact CD1-CB 3.76Å; L407-K411 HydrophobicContact CD1-CD 3.86Å; L407-K411 HydrophobicContact CD1-CG 4.42Å; L407-I427 HydrophobicContact CD1-CD1 4.39Å; L407-I427 HydrophobicContact CD1-CG2 3.78Å; L407-I427 HydrophobicContact CD2-CG2 3.73Å; L407-I427 HydrophobicContact CG-CG2 4.26Å; L407-V429 HydrophobicContact CD2-CG2 3.83Å
408	G	89.4	Confident	90.7	Very high	50 Å²	50	45.4 Å²	45.4	52%	0.515	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	0.1	-173.8	0	0	0	0	0	115.1	N404 A405 I406	N404-G408 PolarHBondContact O-N 3.12Å; A405-G408 PolarHBondContact O-N 3.35Å; I406-G408 VanDerWaalsContact C-N 3.3Å; I406-G408 PolarHBondContact O-N 3.49Å
409	H	89.1	Confident	90.1	Very high	109 Å²	109	46.4 Å²	46.4	51%	0.505	27%	0.274	S	S	.	.	S	Bend	trans	-146.1	156	178.2	66	-78.2	0	0	0	111.1	L407 K411	L407-H409 PolarHBondContact O-N 3.4Å; L407-H409 VanDerWaalsContact O-N 3.13Å; L407-H409 PolarHBondContact O-ND1 3.05Å; H409-K411 PolarHBondContact O-N 3.02Å; H409-K411 VanDerWaalsContact O-N 3.09Å
410	K	90.2	Very high	89.8	Confident	162 Å²	162	51.7 Å²	51.7	70%	0.704	30%	0.297	S	S	*	.			trans	-77	98.3	-177.6	-172.9	179	-179.4	179	0	110.8
411	K	91.2	Very high	89.5	Confident	106 Å²	106	51.9 Å²	51.9	46%	0.461	30%	0.297	S	S	.	.			trans	-103.4	-42	176.1	-170.8	173.8	-177.1	171.8	0	112.5	N404 L407 H409 I427	N404-K411 PolarHBondContact OD1-N 3.46Å; L407-K411 HydrophobicContact CD1-CB 3.76Å; L407-K411 HydrophobicContact CD1-CD 3.86Å; L407-K411 HydrophobicContact CD1-CG 4.42Å; H409-K411 PolarHBondContact O-N 3.02Å; H409-K411 VanDerWaalsContact O-N 3.09Å; K411-I427 HydrophobicContact CD-CG1 4.46Å; K411-I427 HydrophobicContact CD-CG2 3.96Å
412	V	91.3	Very high	89.1	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.006	30%	0.295	C	S	.	.	S	Bend	trans	-97.8	134.1	-179.4	-172.8	0	0	0	0	109.5	L403 N404 V414 I427	L403-V412 HydrophobicContact CD1-CG2 4.48Å; N404-V412 PolarHBondContact ND2-O 3.05Å; N404-V412 PolarHBondContact OD1-N 3.36Å; V412-V414 PolarHBondContact O-N 2.88Å; V412-I427 HydrophobicContact CG2-CD1 3.45Å; V412-I427 VanDerWaalsContact CG2-CD1 3.45Å
413	P	91.5	Very high	88.7	Confident	55 Å²	55	55.9 Å²	55.9	36%	0.357	31%	0.309	S	S	.	.			trans	-65.6	133.4	174.5	27.6	-34.7	0	0	0	111	K420	P413-K420 HydrophobicContact CB-CG 4.28Å; P413-K420 HydrophobicContact CG-CG 4.47Å
414	V	90.4	Very high	88.5	Confident	62 Å²	62	58 Å²	58	38%	0.376	32%	0.319	S	S	.	.			trans	-116.2	142.8	176.3	-65.9	0	0	0	0	110.1	V412	V412-V414 PolarHBondContact O-N 2.88Å
415	S	89.1	Confident	88.4	Confident	56 Å²	56	60.6 Å²	60.6	39%	0.392	33%	0.33	S	S	.	.			trans	-148	157.8	174.7	61	0	0	0	0	111	T417 K420	S415-T417 PolarHBondContact OG-O 3.3Å; S415-K420 WeakPolarHBondContact OG-CB 3.35Å
416	V	84.6	Confident	88.4	Confident	94 Å²	94	63 Å²	63	57%	0.57	35%	0.345	S	S	*	.	S	Bend	trans	-79.2	-27.1	171.4	-176.9	0	0	0	0	111.2	N396	N396-V416 PolarHBondContact ND2-O 3Å; N396-V416 PolarHBondContact OD1-O 3.3Å
417	T	81.4	Confident	88.4	Confident	78 Å²	78	62.5 Å²	62.5	48%	0.479	34%	0.342	S	S	.	.	S	Bend	trans	-75.7	130.4	176	-46.3	0	0	0	0	109.6	S415	S415-T417 PolarHBondContact OG-O 3.3Å
418	P	81.6	Confident	88.4	Confident	37 Å²	37	68.8 Å²	68.8	24%	0.24	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	152.6	176.9	27.8	-34.8	0	0	0	111.3	P395	P395-P418 HydrophobicContact CB-CB 3.63Å; P395-P418 HydrophobicContact CG-CB 4.26Å
419	G	80.2	Confident	88.4	Confident	35 Å²	35	68.5 Å²	68.5	36%	0.361	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	94	9.9	173.4	0	0	0	0	0	116.7	K422	G419-K422 WeakPolarHBondContact O-CG 3.35Å
420	K	86.1	Confident	88.4	Confident	122 Å²	122	69.5 Å²	69.5	53%	0.53	35%	0.353	S	S	.	.	S	Bend	trans	-71.1	-44	177.7	-176.5	61.5	176.6	174.4	0	113.6	P413 S415	P413-K420 HydrophobicContact CB-CG 4.28Å; P413-K420 HydrophobicContact CG-CG 4.47Å; S415-K420 WeakPolarHBondContact OG-CB 3.35Å
421	T	87.1	Confident	88.2	Confident	17 Å²	17	67.9 Å²	67.9	10%	0.104	36%	0.362	C	S	.	.			trans	-86.7	111.5	172.7	-51.1	0	0	0	0	108.5	S400 P439	S400-T421 PolarHBondContact OG-OG1 3.09Å; T421-P439 WeakPolarHBondContact O-CB 3.32Å
422	K	85.2	Confident	88.1	Confident	64 Å²	64	65.9 Å²	65.9	28%	0.278	36%	0.356	S	S	.	.			trans	-106.9	-32.3	-175.1	-65.6	-178.6	169	-156.8	0	114.2	V41 G419	V41-K422 VanDerWaalsContact O-CD 3.29Å; V41-K422 WeakPolarHBondContact O-CD 3.07Å; V41-K422 VanDerWaalsContact O-CE 3.27Å; V41-K422 WeakPolarHBondContact O-CE 3.5Å; V41-K422 PolarHBondContact O-NZ 2.68Å; G419-K422 WeakPolarHBondContact O-CG 3.35Å
423	H	87.7	Confident	88.1	Confident	67 Å²	67	66 Å²	66	31%	0.31	36%	0.357	S	S	.	.	S	Bend	trans	-118.6	147.8	-177.4	-56.8	100.4	0	0	0	108.8
424	F	89.7	Confident	88.3	Confident	46 Å²	46	64 Å²	64	20%	0.202	34%	0.343	C	S	.	.			trans	-63.4	146.7	172.8	81.5	-97.3	0	0	0	109.7	R160 V161 D437	R160-F424 HydrophobicContact CB-CD1 4.39Å; R160-F424 HydrophobicContact CB-CE1 4.33Å; V161-F424 HydrophobicContact CG2-CB 3.93Å; V161-F424 HydrophobicContact CG2-CG 4.45Å; F424-D437 CarbonylContact C-O 3.59Å; F424-D437 WeakPolarHBondContact CA-O 3.3Å; F424-D437 WeakPolarHBondContact CB-O 3.46Å
425	Q	92	Very high	88.5	Confident	71 Å²	71	61.1 Å²	61.1	33%	0.332	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.7	-179.2	-62.2	-179.5	-4	0	0	109.7	C436 D437	Q425-C436 CarbonylContact O-C 3.51Å; Q425-C436 VanDerWaalsContact O-CA 3.28Å; Q425-C436 WeakPolarHBondContact O-CA 3.28Å; Q425-D437 HydrophobicContact CB-CB 4.33Å; Q425-D437 PolarHBondContact N-O 3.01Å; Q425-D437 PolarHBondContact O-N 3.23Å
426	T	93.7	Very high	88.7	Confident	52 Å²	52	58.6 Å²	58.6	32%	0.319	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.3	177.2	-56.8	0	0	0	0	109.5	I434	T426-I434 HydrophobicContact CG2-CG2 3.28Å
427	I	93	Very high	89.2	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.015	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	112.1	-172.8	-60.5	167.5	0	0	0	109	L403 L407 K411 V412 V429 L435	L403-I427 HydrophobicContact CD1-CD1 4.1Å; L407-I427 HydrophobicContact CD1-CD1 4.39Å; L407-I427 HydrophobicContact CD1-CG2 3.78Å; L407-I427 HydrophobicContact CD2-CG2 3.73Å; L407-I427 HydrophobicContact CG-CG2 4.26Å; K411-I427 HydrophobicContact CD-CG1 4.46Å; K411-I427 HydrophobicContact CD-CG2 3.96Å; V412-I427 HydrophobicContact CG2-CD1 3.45Å; V412-I427 VanDerWaalsContact CG2-CD1 3.45Å; I427-V429 HydrophobicContact CG2-CG2 4.42Å; I427-V429 PolarHBondContact O-N 3.44Å; I427-L435 PolarHBondContact N-O 3.18Å; I427-L435 PolarHBondContact O-N 3.4Å
428	Y	92.6	Very high	89.7	Confident	158 Å²	158	50.4 Å²	50.4	62%	0.62	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	122.3	169.9	-59.3	-90.5	0	0	0	109.5	I434	Y428-I434 HydrophobicContact CD1-CD1 3.84Å; Y428-I434 HydrophobicContact CD1-CG1 3.66Å; Y428-I434 HydrophobicContact CE1-CD1 3.39Å; Y428-I434 HydrophobicContact CE1-CG1 3.79Å
429	V	89.7	Confident	90.2	Very high	43 Å²	43	48.7 Å²	48.7	26%	0.261	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-50.3	175.5	178.9	0	0	0	0	109.6	L407 I427 L433 L435	L407-V429 HydrophobicContact CD2-CG2 3.83Å; I427-V429 HydrophobicContact CG2-CG2 4.42Å; I427-V429 PolarHBondContact O-N 3.44Å; V429-L433 PolarHBondContact N-O 3.23Å; V429-L433 VanDerWaalsContact N-O 3.1Å; V429-L435 HydrophobicContact CG2-CB 4.5Å; V429-L435 HydrophobicContact CG2-CD1 3.54Å; V429-L435 HydrophobicContact CG2-CG 3.56Å
430	R	87.3	Confident	90.6	Very high	131 Å²	131	47.7 Å²	47.7	49%	0.494	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	168.7	174.7	-70.9	166	44.1	148.1	-5.4	109.3	D432 L433	R430-D432 WeakPolarHBondContact CB-OD1 3.19Å; R430-D432 IonicContact CZ-OD1 3.51Å; R430-D432 IonicContact CZ-OD2 2.7Å; R430-D432 IonicContact NE-OD1 3.6Å; R430-D432 PolarHBondContact NE-OD1 3Å; R430-D432 IonicContact NE-OD2 3.96Å; R430-D432 IonicContact NH2-OD1 2.68Å; R430-D432 PolarHBondContact NH2-OD1 3.39Å; R430-D432 IonicContact NH2-OD2 3.36Å; R430-D432 PolarHBondContact NH2-OD2 3.45Å; R430-D432 PolarHBondContact O-N 3.1Å; R430-L433 HydrophobicContact CB-CB 4.25Å; R430-L433 PolarHBondContact N-O 3.3Å; R430-L433 PolarHBondContact O-N 3.41Å; R430-L433 VanDerWaalsContact O-O 3.04Å
431	S	86.6	Confident	90.7	Very high	128 Å²	128	41.9 Å²	41.9	90%	0.895	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.3	176.4	-58.5	0	0	0	0	113.2
432	D	89.1	Confident	90.8	Very high	64 Å²	64	41.2 Å²	41.2	34%	0.342	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-5.1	-179.7	63.1	-27.5	0	0	0	113.8	P386 L387 R430	P386-D432 CarbonylContact C-O 3.56Å; P386-D432 WeakPolarHBondContact CA-O 3.29Å; L387-D432 WeakPolarHBondContact CB-O 3.37Å; L387-D432 PolarHBondContact N-O 3.17Å; R430-D432 WeakPolarHBondContact CB-OD1 3.19Å; R430-D432 IonicContact CZ-OD1 3.51Å; R430-D432 IonicContact CZ-OD2 2.7Å; R430-D432 IonicContact NE-OD1 3.6Å; R430-D432 PolarHBondContact NE-OD1 3Å; R430-D432 IonicContact NE-OD2 3.96Å; R430-D432 IonicContact NH2-OD1 2.68Å; R430-D432 PolarHBondContact NH2-OD1 3.39Å; R430-D432 IonicContact NH2-OD2 3.36Å; R430-D432 PolarHBondContact NH2-OD2 3.45Å; R430-D432 PolarHBondContact O-N 3.1Å
433	L	92	Very high	91	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	120.5	-175.8	-178.4	66.4	0	0	0	112.3	I369 L387 V389 V429 R430 L435	I369-L433 HydrophobicContact CG2-CD2 4.01Å; L387-L433 HydrophobicContact CB-CD1 4.2Å; L387-L433 HydrophobicContact CD2-CD1 4.14Å; L387-L433 HydrophobicContact CG-CD1 4.28Å; L387-L433 WeakPolarHBondContact O-CA 3.43Å; V389-L433 HydrophobicContact CG2-CD1 3.69Å; V429-L433 PolarHBondContact N-O 3.23Å; V429-L433 VanDerWaalsContact N-O 3.1Å; R430-L433 HydrophobicContact CB-CB 4.25Å; R430-L433 PolarHBondContact N-O 3.3Å; R430-L433 PolarHBondContact O-N 3.41Å; R430-L433 VanDerWaalsContact O-O 3.04Å; L433-L435 HydrophobicContact CD1-CD2 3.97Å; L433-L435 HydrophobicContact CD2-CD2 4.14Å; L433-L435 HydrophobicContact CG-CD2 3.93Å
434	I	94.3	Very high	90.9	Very high	13 Å²	13	35.5 Å²	35.5	7%	0.067	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.8	174.8	-61.6	179.1	0	0	0	108.8	P386 L387 T388 V389 T426 Y428	P386-I434 HydrophobicContact CB-CD1 4Å; P386-I434 HydrophobicContact CB-CG1 4Å; P386-I434 HydrophobicContact CG-CD1 3.37Å; P386-I434 HydrophobicContact CG-CG1 3.95Å; L387-I434 PolarHBondContact O-N 2.83Å; T388-I434 CarbonylContact C-O 3.46Å; T388-I434 WeakPolarHBondContact CA-O 3.15Å; T388-I434 HydrophobicContact CG2-CG2 4.37Å; V389-I434 PolarHBondContact N-O 3.47Å; T426-I434 HydrophobicContact CG2-CG2 3.28Å; Y428-I434 HydrophobicContact CD1-CD1 3.84Å; Y428-I434 HydrophobicContact CD1-CG1 3.66Å; Y428-I434 HydrophobicContact CE1-CD1 3.39Å; Y428-I434 HydrophobicContact CE1-CG1 3.79Å
435	L	95	Very high	90.6	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	138.8	171.8	-50.1	-174.3	0	0	0	110.2	V389 F391 L403 I406 I427 V429 L433	V389-L435 HydrophobicContact CB-CD2 3.85Å; V389-L435 HydrophobicContact CG2-CD2 4.3Å; V389-L435 CarbonylContact O-C 3.59Å; V389-L435 WeakPolarHBondContact O-CA 3.41Å; F391-L435 HydrophobicContact CE2-CB 4.25Å; F391-L435 HydrophobicContact CE2-CD1 4.11Å; F391-L435 HydrophobicContact CE2-CD2 4.07Å; F391-L435 HydrophobicContact CE2-CG 4.35Å; L403-L435 HydrophobicContact CD2-CB 3.96Å; L403-L435 HydrophobicContact CD2-CD1 3.73Å; I406-L435 HydrophobicContact CD1-CD1 4.25Å; I406-L435 HydrophobicContact CG2-CD1 3.99Å; I427-L435 PolarHBondContact N-O 3.18Å; I427-L435 PolarHBondContact O-N 3.4Å; V429-L435 HydrophobicContact CG2-CB 4.5Å; V429-L435 HydrophobicContact CG2-CD1 3.54Å; V429-L435 HydrophobicContact CG2-CG 3.56Å; L433-L435 HydrophobicContact CD1-CD2 3.97Å; L433-L435 HydrophobicContact CD2-CD2 4.14Å; L433-L435 HydrophobicContact CG-CD2 3.93Å
436	C	93.8	Very high	90.1	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.02	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.6	175.5	-72	0	0	0	0	110.1	V389 F391 Q425	V389-C436 PolarHBondContact O-N 3Å; F391-C436 PolarHBondContact N-O 3.32Å; Q425-C436 CarbonylContact O-C 3.51Å; Q425-C436 VanDerWaalsContact O-CA 3.28Å; Q425-C436 WeakPolarHBondContact O-CA 3.28Å
437	D	94.5	Very high	89.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130	171.6	-160.4	11.8	0	0	0	109.5	S400 L403 F424 Q425	S400-D437 PolarHBondContact OG-OD2 2.79Å; L403-D437 HydrophobicContact CD1-CB 3.41Å; L403-D437 VanDerWaalsContact CD1-CB 3.41Å; F424-D437 CarbonylContact C-O 3.59Å; F424-D437 WeakPolarHBondContact CA-O 3.3Å; F424-D437 WeakPolarHBondContact CB-O 3.46Å; Q425-D437 HydrophobicContact CB-CB 4.33Å; Q425-D437 PolarHBondContact N-O 3.01Å; Q425-D437 PolarHBondContact O-N 3.23Å
438	C	92.3	Very high	88.5	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-99.6	143.2	171.6	-166.5	0	0	0	0	109.4	V161 F391 I392	V161-C438 HydrophobicContact CG2-CB 4.12Å; F391-C438 WeakPolarHBondContact O-CB 3.44Å; F391-C438 PolarHBondContact O-N 3.09Å; F391-C438 VanDerWaalsContact O-N 3.15Å; I392-C438 HydrophobicContact CG1-CB 4.2Å
439	P	91.8	Very high	87.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-53	153.5	168.5	24.2	-35.7	0	0	0	111.7	F154 Q157 T421 L441	F154-P439 HydrophobicContact CD1-CB 3.81Å; F154-P439 HydrophobicContact CD1-CG 3.96Å; F154-P439 HydrophobicContact CE1-CB 3.74Å; F154-P439 HydrophobicContact CE1-CG 4.34Å; Q157-P439 HydrophobicContact CB-CG 3.67Å; Q157-P439 HydrophobicContact CG-CG 3.98Å; T421-P439 WeakPolarHBondContact O-CB 3.32Å; P439-L441 WeakPolarHBondContact O-CG 3.47Å; P439-L441 PolarHBondContact O-N 3.23Å
440	G	88.1	Confident	87.6	Confident	15 Å²	15	31.5 Å²	31.5	16%	0.155	16%	0.159	C	C	.	.			trans	-67.1	107.4	175.8	0	0	0	0	0	110.6
441	L	89.6	Confident	87.6	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.			trans	-106.5	128.4	-178	-67.8	162.9	0	0	0	109.9	E149 F154 L158 G393 Y394 P439	E149-L441 HydrophobicContact CB-CD2 4.45Å; E149-L441 HydrophobicContact CG-CD2 4.26Å; F154-L441 HydrophobicContact CB-CD2 3.52Å; F154-L441 HydrophobicContact CD1-CD2 3.85Å; F154-L441 HydrophobicContact CG-CD2 4.14Å; L158-L441 HydrophobicContact CB-CD1 3.62Å; L158-L441 HydrophobicContact CD1-CD1 3.91Å; L158-L441 HydrophobicContact CD2-CD1 4.37Å; L158-L441 HydrophobicContact CG-CD1 4.18Å; G393-L441 PolarHBondContact O-N 3.2Å; Y394-L441 WeakPolarHBondContact CA-O 3.16Å; P439-L441 WeakPolarHBondContact O-CG 3.47Å; P439-L441 PolarHBondContact O-N 3.23Å
442	V	88.7	Confident	87.6	Confident	2 Å²	2	20.4 Å²	20.4	1%	0.012	10%	0.1	C	C	.	.			trans	-91.1	111.5	174.1	-168.1	0	0	0	0	107.9	T45 P147 F148 E149 Y394 P395 I458	T45-V442 HydrophobicContact CG2-CG2 4.14Å; P147-V442 WeakPolarHBondContact O-CG1 3.31Å; F148-V442 WeakPolarHBondContact CA-O 3.19Å; E149-V442 PolarHBondContact N-O 3.01Å; Y394-V442 HydrophobicContact CD1-CB 4.31Å; Y394-V442 HydrophobicContact CD1-CG1 3.8Å; Y394-V442 HydrophobicContact CD1-CG2 4.45Å; Y394-V442 HydrophobicContact CE1-CB 4.33Å; Y394-V442 HydrophobicContact CE1-CG1 3.53Å; P395-V442 HydrophobicContact CG-CG2 3.9Å; V442-I458 HydrophobicContact CB-CG2 4.38Å; V442-I458 HydrophobicContact CG1-CG2 3.65Å; V442-I458 HydrophobicContact CG2-CG2 3.7Å
443	M	89.5	Confident	87.5	Confident	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.085	C	C	.	.			trans	-84.2	152.1	178.2	-60.9	175	-173.5	0	0	110.1	I104 T146 W155 S182 L185 I392 Y394 S445	I104-M443 HydrophobicContact CD1-CE 4.28Å; I104-M443 HydrophobicContact CD1-CG 4.29Å; I104-M443 HydrophobicContact CD1-SD 3.58Å; I104-M443 VanDerWaalsContact CD1-SD 3.58Å; T146-M443 PolarHBondContact OG1-O 3.16Å; T146-M443 VanDerWaalsContact OG1-O 3.12Å; W155-M443 HydrophobicContact CH2-CG 4.38Å; S182-M443 PolarHBondContact OG-SD 3.37Å; L185-M443 HydrophobicContact CD1-CE 4.29Å; L185-M443 HydrophobicContact CD2-CE 4.12Å; I392-M443 HydrophobicContact CG2-CE 3.72Å; Y394-M443 HydrophobicContact CE2-CB 4.15Å; Y394-M443 HydrophobicContact CE2-CG 4.4Å; Y394-M443 WeakPolarHBondContact OH-CB 3.45Å; Y394-M443 PolarHBondContact OH-O 3.16Å; M443-S445 PolarHBondContact O-N 3Å
444	P	86.3	Confident	87.5	Confident	11 Å²	11	18 Å²	18	7%	0.071	9%	0.088	C	C	.	.			trans	-66.3	124.2	174.4	29.5	-35.5	0	0	0	109.7	L102 W130 L134 F148	L102-P444 HydrophobicContact CD2-CB 4.38Å; W130-P444 HydrophobicContact CZ2-CG 4.17Å; L134-P444 HydrophobicContact CD1-CB 4.22Å; L134-P444 HydrophobicContact CD1-CG 4.31Å; L134-P444 HydrophobicContact CD2-CB 4.34Å; F148-P444 HydrophobicContact CB-CB 4.34Å
445	S	83.8	Confident	87.3	Confident	17 Å²	17	17.4 Å²	17.4	12%	0.119	9%	0.085	C	C	.	.			trans	-137.1	162	173.1	57.1	0	0	0	0	107.9	T146 M443	T146-S445 WeakPolarHBondContact CG2-O 3.35Å; T146-S445 WeakPolarHBondContact CG2-OG 3.37Å; T146-S445 PolarHBondContact N-O 2.64Å; T146-S445 PolarHBondContact OG1-N 3.09Å; T146-S445 PolarHBondContact OG1-O 3.31Å; T146-S445 PolarHBondContact OG1-OG 2.96Å; M443-S445 PolarHBondContact O-N 3Å
446	F	81.1	Confident	87.1	Confident	33 Å²	33	17.8 Å²	17.8	15%	0.145	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-79	130.8	172.6	-65.2	-56.4	0	0	0	110	H95 L102 L137 I143 L145	H95-F446 HydrophobicContact CB-CB 4.2Å; H95-F446 HydrophobicContact CB-CD2 3.65Å; H95-F446 HydrophobicContact CB-CE2 4.24Å; H95-F446 HydrophobicContact CB-CG 4.02Å; H95-F446 AromaticContact CD2-CD1 3.76Å; H95-F446 AromaticContact CD2-CG 3.51Å; H95-F446 AromaticContact CG-CD2 3.88Å; H95-F446 AromaticContact CG-CG 3.7Å; H95-F446 AromaticContact NE2-CG 3.98Å; H95-F446 WeakPolarHBondContact O-CE2 3.5Å; L102-F446 HydrophobicContact CD1-CD1 4.04Å; L102-F446 HydrophobicContact CD1-CD2 3.42Å; L102-F446 VanDerWaalsContact CD1-CD2 3.42Å; L102-F446 HydrophobicContact CD1-CE1 3.89Å; L102-F446 HydrophobicContact CD1-CE2 3.27Å; L102-F446 HydrophobicContact CD1-CG 3.81Å; L102-F446 HydrophobicContact CD1-CZ 3.51Å; L102-F446 HydrophobicContact CD2-CE1 3.97Å; L102-F446 HydrophobicContact CD2-CZ 4.03Å; L102-F446 HydrophobicContact CG-CD2 4.44Å; L102-F446 HydrophobicContact CG-CE1 4.07Å; L102-F446 HydrophobicContact CG-CE2 3.85Å; L102-F446 HydrophobicContact CG-CZ 3.62Å; L137-F446 HydrophobicContact CD2-CE1 4.14Å; L137-F446 HydrophobicContact CD2-CZ 4.31Å; I143-F446 HydrophobicContact CG2-CD1 3.77Å; I143-F446 HydrophobicContact CG2-CE1 3.55Å; L145-F446 HydrophobicContact CD2-CD1 3.9Å; L145-F446 HydrophobicContact CD2-CE1 3.85Å
447	A	76.5	Confident	86.8	Confident	5 Å²	5	17.8 Å²	17.8	4%	0.041	9%	0.089	C	C	.	.			trans	-122.2	147.1	170.9	0	0	0	0	0	110	V144 T146 L453	V144-A447 PolarHBondContact O-N 2.97Å; V144-A447 VanDerWaalsContact O-O 3.08Å; T146-A447 HydrophobicContact CG2-CB 3.57Å; A447-L453 HydrophobicContact CB-CD1 4.44Å; A447-L453 HydrophobicContact CB-CD2 4.31Å; A447-L453 HydrophobicContact CB-CG 4.37Å
448	Y	75.7	Confident	86.5	Confident	94 Å²	94	18 Å²	18	37%	0.369	9%	0.09	S	C	.	.	S	Bend	trans	-72.1	-39.6	173.7	-63.5	-77.5	0	0	0	111.2	C88 I91	C88-Y448 HydrophobicContact CB-CE1 4.32Å; I91-Y448 HydrophobicContact CB-CD1 4.26Å; I91-Y448 HydrophobicContact CB-CE1 4.28Å; I91-Y448 HydrophobicContact CG2-CD1 3.64Å; I91-Y448 HydrophobicContact CG2-CE1 3.81Å
449	S	80.7	Confident	86.2	Confident	16 Å²	16	18.9 Å²	18.9	11%	0.112	10%	0.095	C	C	.	.			trans	-149.1	156.7	-176.5	74.5	0	0	0	0	112	A451 D452	S449-A451 PolarHBondContact O-N 3.36Å; S449-A451 PolarHBondContact OG-N 2.88Å; S449-D452 PolarHBondContact N-OD2 3Å; S449-D452 PolarHBondContact O-N 3.25Å; S449-D452 PolarHBondContact OG-N 3.38Å; S449-D452 PolarHBondContact OG-OD2 3.31Å
450	R	82.5	Confident	86	Confident	123 Å²	123	21 Å²	21	46%	0.464	11%	0.11	S	C	.	.	H	α-helix	trans	-60.6	-27.9	169.3	-71.5	173.9	60.2	81.1	1.1	112.3	E46 D452 L453 V454	E46-R450 IonicContact OE1-CZ 2.85Å; E46-R450 IonicContact OE1-NH1 3Å; E46-R450 PolarHBondContact OE1-NH1 2.89Å; E46-R450 IonicContact OE1-NH2 3.47Å; E46-R450 PolarHBondContact OE1-NH2 2.73Å; E46-R450 IonicContact OE2-CZ 3.61Å; E46-R450 IonicContact OE2-NH1 3.07Å; E46-R450 IonicContact OE2-NH2 3.56Å; E46-R450 PolarHBondContact OE2-NH2 3.22Å; R450-D452 VanDerWaalsContact C-N 3.35Å; R450-D452 PolarHBondContact O-N 3.45Å; R450-L453 PolarHBondContact O-N 3.44Å; R450-V454 PolarHBondContact O-N 2.95Å
451	A	88.2	Confident	86.2	Confident	7 Å²	7	21 Å²	21	6%	0.058	11%	0.106	C	C	.	.	H	α-helix	trans	-65.6	-36.4	-179.8	0	0	0	0	0	112.4	S449 L453 V454 V455 A469 P470 L473	S449-A451 PolarHBondContact O-N 3.36Å; S449-A451 PolarHBondContact OG-N 2.88Å; A451-L453 PolarHBondContact O-N 3.36Å; A451-V454 PolarHBondContact O-N 3.2Å; A451-V455 WeakPolarHBondContact O-CG2 3.41Å; A451-V455 PolarHBondContact O-N 3.16Å; A451-A469 HydrophobicContact CB-CB 3.78Å; A451-P470 HydrophobicContact CB-CB 4.49Å; A451-P470 HydrophobicContact CB-CG 3.98Å; A451-L473 HydrophobicContact CB-CD1 3.56Å; A451-L473 HydrophobicContact CB-CG 4.46Å
452	D	87.1	Confident	86.2	Confident	19 Å²	19	24.8 Å²	24.8	10%	0.102	13%	0.126	C	C	.	.	H	α-helix	trans	-58.3	-35.2	176.6	-69.4	-57	0	0	0	112.4	S449 R450 V455 A456 L473 R477	S449-D452 PolarHBondContact N-OD2 3Å; S449-D452 PolarHBondContact O-N 3.25Å; S449-D452 PolarHBondContact OG-N 3.38Å; S449-D452 PolarHBondContact OG-OD2 3.31Å; R450-D452 VanDerWaalsContact C-N 3.35Å; R450-D452 PolarHBondContact O-N 3.45Å; D452-V455 PolarHBondContact O-N 3.01Å; D452-A456 WeakPolarHBondContact O-CB 3.35Å; D452-A456 PolarHBondContact O-N 3.38Å; D452-L473 WeakPolarHBondContact OD1-CD1 3.47Å; D452-R477 IonicContact OD1-CZ 3.84Å; D452-R477 IonicContact OD1-NH2 3.48Å; D452-R477 PolarHBondContact OD1-NH2 3.37Å
453	L	86.8	Confident	86.1	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-75.9	-31.9	-177.3	-58	166.5	0	0	0	113.2	T146 P147 A447 R450 A451 G457 I458 L459	T146-L453 HydrophobicContact CG2-CD1 4.15Å; T146-L453 HydrophobicContact CG2-CD2 3.37Å; T146-L453 HydrophobicContact CG2-CG 4.29Å; P147-L453 HydrophobicContact CG-CD1 3.83Å; A447-L453 HydrophobicContact CB-CD1 4.44Å; A447-L453 HydrophobicContact CB-CD2 4.31Å; A447-L453 HydrophobicContact CB-CG 4.37Å; R450-L453 PolarHBondContact O-N 3.44Å; A451-L453 PolarHBondContact O-N 3.36Å; L453-G457 PolarHBondContact O-N 3.27Å; L453-I458 HydrophobicContact CD2-CD1 3.98Å; L453-I458 PolarHBondContact O-N 3.11Å; L453-I458 VanDerWaalsContact O-N 3.11Å; L453-L459 HydrophobicContact CB-CD1 3.95Å; L453-L459 HydrophobicContact CB-CG 4.13Å; L453-L459 PolarHBondContact O-N 3.32Å
454	V	90.3	Very high	86	Confident	13 Å²	13	28.2 Å²	28.2	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-68.6	-45.6	171.4	179.6	0	0	0	0	109.4	R450 A451 A456 G457 L459 I461 M464 P470 L539	R450-V454 PolarHBondContact O-N 2.95Å; A451-V454 PolarHBondContact O-N 3.2Å; V454-A456 VanDerWaalsContact C-N 3.31Å; V454-A456 PolarHBondContact O-N 2.93Å; V454-G457 PolarHBondContact O-N 3.38Å; V454-L459 HydrophobicContact CG2-CB 4.2Å; V454-L459 HydrophobicContact CG2-CD1 4.14Å; V454-I461 HydrophobicContact CG1-CG1 4.33Å; V454-M464 HydrophobicContact CG1-SD 4.08Å; V454-P470 HydrophobicContact CB-CB 4.43Å; V454-P470 HydrophobicContact CB-CG 4.15Å; V454-P470 HydrophobicContact CG1-CB 4.28Å; V454-P470 HydrophobicContact CG1-CG 4.18Å; V454-P470 HydrophobicContact CG2-CG 4.49Å; V454-L539 HydrophobicContact CG1-CD1 4.5Å
455	V	91.7	Very high	86	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-66.2	-33.3	178.8	178	0	0	0	0	111.8	A451 D452 G457 P470 L473 V474 R477 L539 Y542 V543	A451-V455 WeakPolarHBondContact O-CG2 3.41Å; A451-V455 PolarHBondContact O-N 3.16Å; D452-V455 PolarHBondContact O-N 3.01Å; V455-G457 PolarHBondContact O-N 2.55Å; V455-P470 HydrophobicContact CG2-CB 3.89Å; V455-L473 HydrophobicContact CG2-CB 4.48Å; V455-L473 HydrophobicContact CG2-CD1 4.36Å; V455-V474 HydrophobicContact CG1-CG2 4.41Å; V455-V474 HydrophobicContact CG2-CG2 4.38Å; V455-R477 VanDerWaalsContact CG1-NH1 3.3Å; V455-L539 HydrophobicContact CG2-CD2 4.24Å; V455-Y542 HydrophobicContact CB-CE1 4.49Å; V455-Y542 HydrophobicContact CG1-CD1 3.61Å; V455-Y542 HydrophobicContact CG1-CE1 3.12Å; V455-Y542 HydrophobicContact CG1-CE2 4.46Å; V455-Y542 HydrophobicContact CG1-CG 4.48Å; V455-V543 WeakPolarHBondContact O-CG2 3.33Å
456	A	89.4	Confident	86.3	Confident	11 Å²	11	41.5 Å²	41.5	9%	0.091	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.2	171.7	0	0	0	0	0	113.4	L179 Y180 D452 V454 I458	L179-A456 HydrophobicContact CD2-CB 3.67Å; Y180-A456 WeakPolarHBondContact OH-CB 3.44Å; Y180-A456 PolarHBondContact OH-O 2.97Å; D452-A456 WeakPolarHBondContact O-CB 3.35Å; D452-A456 PolarHBondContact O-N 3.38Å; V454-A456 VanDerWaalsContact C-N 3.31Å; V454-A456 PolarHBondContact O-N 2.93Å; A456-I458 VanDerWaalsContact C-N 3.28Å; A456-I458 HydrophobicContact CB-CD1 4.15Å; A456-I458 HydrophobicContact CB-CG1 4.17Å; A456-I458 PolarHBondContact O-N 3.04Å
457	G	87.9	Confident	86.8	Confident	2 Å²	2	42.4 Å²	42.4	2%	0.021	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	20.3	-178.4	0	0	0	0	0	114.4	N396 L453 V454 V455	N396-G457 PolarHBondContact ND2-O 2.67Å; L453-G457 PolarHBondContact O-N 3.27Å; V454-G457 PolarHBondContact O-N 3.38Å; V455-G457 PolarHBondContact O-N 2.55Å
458	I	88.3	Confident	87.6	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	22%	0.223	C	C	.	.	S	Bend	trans	-74.7	-46.6	171.8	-64.9	170.8	0	0	0	109.1	L179 Y180 Y394 V442 L453 A456	L179-I458 HydrophobicContact CD2-CD1 4.14Å; L179-I458 HydrophobicContact CG-CD1 4.42Å; Y180-I458 HydrophobicContact CD1-CD1 4.47Å; Y180-I458 HydrophobicContact CE1-CD1 3.89Å; Y180-I458 HydrophobicContact CE1-CG1 3.81Å; Y394-I458 HydrophobicContact CD1-CD1 3.77Å; Y394-I458 HydrophobicContact CD1-CG1 4.08Å; Y394-I458 HydrophobicContact CD1-CG2 4.37Å; Y394-I458 HydrophobicContact CE1-CD1 4.02Å; V442-I458 HydrophobicContact CB-CG2 4.38Å; V442-I458 HydrophobicContact CG1-CG2 3.65Å; V442-I458 HydrophobicContact CG2-CG2 3.7Å; L453-I458 HydrophobicContact CD2-CD1 3.98Å; L453-I458 PolarHBondContact O-N 3.11Å; L453-I458 VanDerWaalsContact O-N 3.11Å; A456-I458 VanDerWaalsContact C-N 3.28Å; A456-I458 HydrophobicContact CB-CD1 4.15Å; A456-I458 HydrophobicContact CB-CG1 4.17Å; A456-I458 PolarHBondContact O-N 3.04Å
459	L	86.5	Confident	88.4	Confident	19 Å²	19	41.1 Å²	41.1	10%	0.099	21%	0.213	C	C	.	.	S	Bend	trans	-86.6	150.6	173.8	-64.8	178.8	0	0	0	111	P147 L453 V454 I461	P147-L459 HydrophobicContact CG-CD1 4.24Å; P147-L459 HydrophobicContact CG-CD2 3.8Å; P147-L459 HydrophobicContact CG-CG 4.29Å; L453-L459 HydrophobicContact CB-CD1 3.95Å; L453-L459 HydrophobicContact CB-CG 4.13Å; L453-L459 PolarHBondContact O-N 3.32Å; V454-L459 HydrophobicContact CG2-CB 4.2Å; V454-L459 HydrophobicContact CG2-CD1 4.14Å; L459-I461 PolarHBondContact O-N 2.89Å
460	S	88.4	Confident	89	Confident	45 Å²	45	40.5 Å²	40.5	32%	0.315	21%	0.209	S	C	.	.			trans	-71.4	120.3	178.1	-177.3	0	0	0	0	111.4	D462 G463	S460-D462 PolarHBondContact O-N 3.36Å; S460-D462 PolarHBondContact OG-N 3.14Å; S460-G463 PolarHBondContact O-N 3.12Å
461	I	91.5	Very high	89.6	Confident	14 Å²	14	34.7 Å²	34.7	7%	0.072	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.3	174.9	-56.9	170.8	0	0	0	111.3	V454 L459 M464 R536 L539 K540 V543	V454-I461 HydrophobicContact CG1-CG1 4.33Å; L459-I461 PolarHBondContact O-N 2.89Å; I461-M464 HydrophobicContact CB-SD 4.46Å; I461-M464 HydrophobicContact CG2-SD 3.74Å; I461-M464 WeakPolarHBondContact O-CG 3.48Å; I461-R536 HydrophobicContact CG2-CB 4.39Å; I461-R536 HydrophobicContact CG2-CG 4.39Å; I461-R536 PolarHBondContact O-NH1 2.97Å; I461-L539 HydrophobicContact CD1-CB 4.23Å; I461-L539 HydrophobicContact CG2-CB 3.98Å; I461-L539 HydrophobicContact CG2-CD1 4.47Å; I461-K540 HydrophobicContact CD1-CG 3.96Å; I461-K540 HydrophobicContact CG2-CG 4.22Å; I461-V543 HydrophobicContact CD1-CB 4.14Å; I461-V543 HydrophobicContact CD1-CG2 3.75Å
462	D	90	Very high	89.8	Confident	80 Å²	80	34.9 Å²	34.9	43%	0.428	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-22.3	179.6	-66.6	-44.3	0	0	0	112.6	S460 R536 K540	S460-D462 PolarHBondContact O-N 3.36Å; S460-D462 PolarHBondContact OG-N 3.14Å; D462-R536 PolarHBondContact O-NH1 3.08Å; D462-K540 VanDerWaalsContact CG-NZ 3.28Å; D462-K540 WeakPolarHBondContact OD1-CE 3.06Å; D462-K540 IonicContact OD1-NZ 2.72Å; D462-K540 PolarHBondContact OD1-NZ 3.35Å; D462-K540 IonicContact OD2-NZ 3.53Å; D462-K540 PolarHBondContact OD2-NZ 3.37Å; D462-K540 VanDerWaalsContact OD2-NZ 3.08Å
463	G	85.3	Confident	90	Very high	60 Å²	60	34.4 Å²	34.4	62%	0.619	19%	0.187	S	C	*	.	S	Bend	trans	-95.7	-0.9	178.7	0	0	0	0	0	115.2	S460	S460-G463 PolarHBondContact O-N 3.12Å
464	M	87.5	Confident	90.3	Very high	16 Å²	16	34.3 Å²	34.3	8%	0.079	19%	0.187	C	C	.	.			trans	-68.1	139.1	-175	66.8	-167.5	-114.1	0	0	112.4	V454 I461 Y467 A535 R536 L539	V454-M464 HydrophobicContact CG1-SD 4.08Å; I461-M464 HydrophobicContact CB-SD 4.46Å; I461-M464 HydrophobicContact CG2-SD 3.74Å; I461-M464 WeakPolarHBondContact O-CG 3.48Å; M464-Y467 HydrophobicContact CE-CG 4.47Å; M464-A535 HydrophobicContact CE-CB 4.48Å; M464-R536 PolarHBondContact O-NH2 3.03Å; M464-R536 VanDerWaalsContact O-NH2 3.1Å; M464-L539 HydrophobicContact CE-CD1 3.42Å; M464-L539 VanDerWaalsContact CE-CD1 3.42Å; M464-L539 HydrophobicContact SD-CD1 3.66Å
465	R	86.9	Confident	90.3	Very high	244 Å²	244	34 Å²	34	92%	0.921	19%	0.185	S	C	*	.	S	Bend	trans	-97.6	-41.7	175	-63.4	-177.2	-178	-179.8	0	112.1
466	D	89.9	Confident	90.2	Very high	62 Å²	62	39.8 Å²	39.8	33%	0.332	21%	0.212	S	C	.	.			trans	-97.7	121.7	173.1	-179.3	19.4	0	0	0	110.2	L468 A469	D466-L468 PolarHBondContact OD1-N 2.97Å; D466-A469 WeakPolarHBondContact OD2-CB 3.32Å
467	Y	92.6	Very high	90.1	Very high	52 Å²	52	40.9 Å²	40.9	20%	0.204	21%	0.214	C	C	.	.			trans	-110.3	-13.1	177.3	58.1	-100.1	0	0	0	113.5	M464 V471 L513 D532 A535	M464-Y467 HydrophobicContact CE-CG 4.47Å; Y467-V471 WeakPolarHBondContact O-CB 3.2Å; Y467-V471 WeakPolarHBondContact O-CG2 3.46Å; Y467-V471 PolarHBondContact O-N 2.93Å; Y467-L513 HydrophobicContact CD2-CD1 3.87Å; Y467-L513 HydrophobicContact CE2-CD1 4.06Å; Y467-D532 HydrophobicContact CD1-CB 4.34Å; Y467-D532 HydrophobicContact CE1-CB 4.22Å; Y467-A535 HydrophobicContact CD2-CB 4.07Å; Y467-A535 HydrophobicContact CG-CB 4.09Å
468	L	93.4	Very high	90.2	Very high	52 Å²	52	41 Å²	41	27%	0.272	21%	0.214	S	C	.	.	H	α-helix	trans	-76.6	-45.1	-174.7	-68.2	173.5	0	0	0	110.9	D466 V471 G472 P509 H510 L513	D466-L468 PolarHBondContact OD1-N 2.97Å; L468-V471 PolarHBondContact O-N 3.3Å; L468-G472 PolarHBondContact O-N 2.88Å; L468-P509 HydrophobicContact CD2-CB 4.43Å; L468-H510 VanDerWaalsContact CD2-CE1 3.49Å; L468-H510 WeakPolarHBondContact CD2-CE1 3.47Å; L468-L513 HydrophobicContact CD2-CD1 4.17Å
469	A	90.9	Very high	90.1	Very high	21 Å²	21	43.1 Å²	43.1	17%	0.174	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-47.8	179.4	0	0	0	0	0	112.9	I82 A451 D466 V471 G472 L473	I82-A469 HydrophobicContact CG1-CB 4.41Å; A451-A469 HydrophobicContact CB-CB 3.78Å; D466-A469 WeakPolarHBondContact OD2-CB 3.32Å; A469-V471 VanDerWaalsContact C-N 3.34Å; A469-V471 PolarHBondContact O-N 3.26Å; A469-G472 PolarHBondContact O-N 3.45Å; A469-L473 PolarHBondContact O-N 2.95Å; A469-L473 VanDerWaalsContact O-N 3.11Å
470	P	93.5	Very high	90.1	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.019	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-40.9	175	-25.6	34.4	0	0	0	113.5	A451 V454 V455 L473 V474 L539	A451-P470 HydrophobicContact CB-CB 4.49Å; A451-P470 HydrophobicContact CB-CG 3.98Å; V454-P470 HydrophobicContact CB-CB 4.43Å; V454-P470 HydrophobicContact CB-CG 4.15Å; V454-P470 HydrophobicContact CG1-CB 4.28Å; V454-P470 HydrophobicContact CG1-CG 4.18Å; V454-P470 HydrophobicContact CG2-CG 4.49Å; V455-P470 HydrophobicContact CG2-CB 3.89Å; P470-L473 PolarHBondContact O-N 3.27Å; P470-V474 WeakPolarHBondContact O-CG2 3.4Å; P470-V474 PolarHBondContact O-N 3.27Å; P470-L539 HydrophobicContact CB-CD1 3.91Å; P470-L539 HydrophobicContact CB-CD2 3.84Å
471	V	94.7	Very high	89.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-70.5	-35.4	178.1	174.8	0	0	0	0	111.1	Y467 L468 A469 L473 V474 C475 P509 L512 L513 A535 L539	Y467-V471 WeakPolarHBondContact O-CB 3.2Å; Y467-V471 WeakPolarHBondContact O-CG2 3.46Å; Y467-V471 PolarHBondContact O-N 2.93Å; L468-V471 PolarHBondContact O-N 3.3Å; A469-V471 VanDerWaalsContact C-N 3.34Å; A469-V471 PolarHBondContact O-N 3.26Å; V471-L473 VanDerWaalsContact C-N 3.33Å; V471-L473 PolarHBondContact O-N 3.34Å; V471-V474 PolarHBondContact O-N 3.46Å; V471-V474 VanDerWaalsContact O-N 3.15Å; V471-C475 PolarHBondContact O-N 3.34Å; V471-C475 PolarHBondContact O-SG 3.4Å; V471-C475 VanDerWaalsContact O-SG 3.36Å; V471-P509 HydrophobicContact CB-CB 4.19Å; V471-P509 HydrophobicContact CG1-CB 3.84Å; V471-L512 HydrophobicContact CG1-CD2 4.12Å; V471-L513 HydrophobicContact CG1-CD1 4.25Å; V471-L513 HydrophobicContact CG1-CD2 4.26Å; V471-L513 HydrophobicContact CG1-CG 4.11Å; V471-L513 HydrophobicContact CG2-CD1 4.42Å; V471-L513 HydrophobicContact CG2-CD2 4.26Å; V471-A535 HydrophobicContact CG2-CB 3.86Å; V471-L539 HydrophobicContact CG2-CD1 4.27Å; V471-L539 HydrophobicContact CG2-CD2 4.36Å; V471-L539 HydrophobicContact CG2-CG 4.23Å
472	G	93	Very high	89.7	Confident	12 Å²	12	46.1 Å²	46.1	12%	0.124	23%	0.234	C	C	.	.	H	α-helix	trans	-56.4	-46.2	173.1	0	0	0	0	0	112.1	L468 A469 V474 C475 E476	L468-G472 PolarHBondContact O-N 2.88Å; A469-G472 PolarHBondContact O-N 3.45Å; G472-V474 VanDerWaalsContact C-N 3.32Å; G472-V474 PolarHBondContact O-N 2.83Å; G472-C475 WeakPolarHBondContact O-CB 3.32Å; G472-C475 PolarHBondContact O-N 2.79Å; G472-E476 PolarHBondContact O-N 2.98Å
473	L	91.3	Very high	89.6	Confident	9 Å²	9	42.3 Å²	42.3	5%	0.047	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-38.7	175.2	-66	175	0	0	0	112.5	I82 A451 D452 V455 A469 P470 V471 E476 R477	I82-L473 HydrophobicContact CG2-CD2 4.47Å; A451-L473 HydrophobicContact CB-CD1 3.56Å; A451-L473 HydrophobicContact CB-CG 4.46Å; D452-L473 WeakPolarHBondContact OD1-CD1 3.47Å; V455-L473 HydrophobicContact CG2-CB 4.48Å; V455-L473 HydrophobicContact CG2-CD1 4.36Å; A469-L473 PolarHBondContact O-N 2.95Å; A469-L473 VanDerWaalsContact O-N 3.11Å; P470-L473 PolarHBondContact O-N 3.27Å; V471-L473 VanDerWaalsContact C-N 3.33Å; V471-L473 PolarHBondContact O-N 3.34Å; L473-E476 PolarHBondContact O-N 3.21Å; L473-R477 WeakPolarHBondContact O-CB 3.43Å; L473-R477 WeakPolarHBondContact O-CD 3.3Å; L473-R477 WeakPolarHBondContact O-CG 3.23Å; L473-R477 PolarHBondContact O-N 3.03Å; L473-R477 VanDerWaalsContact O-N 3.1Å
474	V	92.8	Very high	89.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-40.3	175.7	175.4	0	0	0	0	111.2	V455 P470 V471 G472 E476 R477 I478 L539 Y542 L547	V455-V474 HydrophobicContact CG1-CG2 4.41Å; V455-V474 HydrophobicContact CG2-CG2 4.38Å; P470-V474 WeakPolarHBondContact O-CG2 3.4Å; P470-V474 PolarHBondContact O-N 3.27Å; V471-V474 PolarHBondContact O-N 3.46Å; V471-V474 VanDerWaalsContact O-N 3.15Å; G472-V474 VanDerWaalsContact C-N 3.32Å; G472-V474 PolarHBondContact O-N 2.83Å; V474-E476 VanDerWaalsContact C-N 3.3Å; V474-E476 PolarHBondContact O-N 2.77Å; V474-R477 PolarHBondContact O-N 3.44Å; V474-I478 HydrophobicContact CG1-CD1 3.9Å; V474-I478 HydrophobicContact CG1-CG1 4.39Å; V474-I478 WeakPolarHBondContact O-CB 3Å; V474-I478 PolarHBondContact O-N 3.25Å; V474-L539 HydrophobicContact CG2-CD2 3.99Å; V474-Y542 HydrophobicContact CG1-CD2 4.03Å; V474-Y542 HydrophobicContact CG1-CE2 4.5Å; V474-Y542 HydrophobicContact CG2-CD2 3.85Å; V474-Y542 HydrophobicContact CG2-CE2 4.15Å; V474-Y542 HydrophobicContact CG2-CG 4.15Å; V474-L547 HydrophobicContact CG1-CD1 4.47Å
475	C	91.6	Very high	89.8	Confident	7 Å²	7	40.5 Å²	40.5	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-64.7	-31.7	176.4	-71.9	0	0	0	0	113.3	V471 G472 L507 L512	V471-C475 PolarHBondContact O-N 3.34Å; V471-C475 PolarHBondContact O-SG 3.4Å; V471-C475 VanDerWaalsContact O-SG 3.36Å; G472-C475 WeakPolarHBondContact O-CB 3.32Å; G472-C475 PolarHBondContact O-N 2.79Å; C475-L507 HydrophobicContact CB-CB 4.16Å; C475-L507 VanDerWaalsContact CB-O 3.25Å; C475-L507 WeakPolarHBondContact CB-O 3.11Å; C475-L512 VanDerWaalsContact SG-CD2 3.53Å
476	E	88.6	Confident	89.8	Confident	122 Å²	122	30.5 Å²	30.5	57%	0.57	15%	0.153	S	C	*	.	H	α-helix	trans	-74.3	-41.1	176.1	-173.6	-179.3	179.3	0	0	111.7	G472 L473 V474	G472-E476 PolarHBondContact O-N 2.98Å; L473-E476 PolarHBondContact O-N 3.21Å; V474-E476 VanDerWaalsContact C-N 3.3Å; V474-E476 PolarHBondContact O-N 2.77Å
477	R	88.4	Confident	89.8	Confident	35 Å²	35	29 Å²	29	13%	0.132	14%	0.143	C	C	.	.	H	α-helix	trans	-78.1	-33.5	-175.2	-69.1	165.7	-164.8	178.6	1.2	113.6	D452 V455 L473 V474 Y549 Y551	D452-R477 IonicContact OD1-CZ 3.84Å; D452-R477 IonicContact OD1-NH2 3.48Å; D452-R477 PolarHBondContact OD1-NH2 3.37Å; V455-R477 VanDerWaalsContact CG1-NH1 3.3Å; L473-R477 WeakPolarHBondContact O-CB 3.43Å; L473-R477 WeakPolarHBondContact O-CD 3.3Å; L473-R477 WeakPolarHBondContact O-CG 3.23Å; L473-R477 PolarHBondContact O-N 3.03Å; L473-R477 VanDerWaalsContact O-N 3.1Å; V474-R477 PolarHBondContact O-N 3.44Å; R477-Y549 HydrophobicContact CB-CD1 4.33Å; R477-Y549 HydrophobicContact CB-CD2 3.78Å; R477-Y549 HydrophobicContact CB-CE2 4.08Å; R477-Y549 HydrophobicContact CB-CG 3.91Å; R477-Y549 HydrophobicContact CG-CD1 4.16Å; R477-Y549 HydrophobicContact CG-CD2 4.33Å; R477-Y549 HydrophobicContact CG-CE1 4.14Å; R477-Y549 HydrophobicContact CG-CE2 4.3Å; R477-Y549 HydrophobicContact CG-CG 4.26Å; R477-Y551 PolarHBondContact NE-OH 3.21Å; R477-Y551 PolarHBondContact NH1-OH 3.49Å; R477-Y551 PolarHBondContact NH2-OH 3Å
478	I	88.8	Confident	89.5	Confident	3 Å²	3	28.6 Å²	28.6	2%	0.015	16%	0.155	C	C	.	.	S	Bend	trans	-107	121.1	-172.4	-56.6	-173.7	0	0	0	110.5	V474 R480 I482 L483 Y542 L547	V474-I478 HydrophobicContact CG1-CD1 3.9Å; V474-I478 HydrophobicContact CG1-CG1 4.39Å; V474-I478 WeakPolarHBondContact O-CB 3Å; V474-I478 PolarHBondContact O-N 3.25Å; I478-R480 PolarHBondContact O-N 3.28Å; I478-I482 HydrophobicContact CG2-CB 4.08Å; I478-I482 HydrophobicContact CG2-CD1 4.26Å; I478-I482 HydrophobicContact CG2-CG2 4.14Å; I478-L483 HydrophobicContact CB-CD2 4.37Å; I478-L483 HydrophobicContact CB-CG 4.37Å; I478-L483 HydrophobicContact CG2-CD2 3.93Å; I478-L483 HydrophobicContact CG2-CG 3.86Å; I478-Y542 HydrophobicContact CD1-CD2 3.86Å; I478-Y542 HydrophobicContact CD1-CE2 3.96Å; I478-Y542 HydrophobicContact CG1-CE2 4.47Å; I478-L547 HydrophobicContact CD1-CB 3.51Å; I478-L547 HydrophobicContact CD1-CD1 4.03Å; I478-L547 HydrophobicContact CD1-CD2 4.09Å; I478-L547 HydrophobicContact CD1-CG 4.08Å
479	P	86.4	Confident	89.3	Confident	49 Å²	49	26.3 Å²	26.3	32%	0.318	14%	0.143	S	C	.	.			trans	-52.5	137	174.7	-27.5	30.2	0	0	0	113.8	H481 I482 L483	P479-H481 VanDerWaalsContact C-N 3.31Å; P479-H481 WeakPolarHBondContact CB-CE1 3.34Å; P479-H481 WeakPolarHBondContact CB-ND1 3.47Å; P479-H481 PolarHBondContact O-N 3.37Å; P479-I482 HydrophobicContact CB-CD1 3.73Å; P479-I482 HydrophobicContact CB-CG1 4.27Å; P479-I482 HydrophobicContact CG-CD1 3.7Å; P479-I482 WeakPolarHBondContact O-CB 3.29Å; P479-I482 PolarHBondContact O-N 3.31Å; P479-L483 PolarHBondContact O-N 2.84Å
480	R	86.6	Confident	89	Confident	54 Å²	54	31.9 Å²	31.9	20%	0.204	17%	0.17	C	C	.	.	H	α-helix	trans	-50.6	-45.4	-178.2	-179.9	-174.2	163.5	148	1.5	113.9	I478 I482 L483 E484 L491 P492	I478-R480 PolarHBondContact O-N 3.28Å; R480-I482 PolarHBondContact O-N 3.24Å; R480-L483 PolarHBondContact O-N 2.91Å; R480-L483 VanDerWaalsContact O-N 3.16Å; R480-E484 HydrophobicContact CG-CG 4.37Å; R480-E484 IonicContact CZ-OE1 3.63Å; R480-E484 IonicContact NE-OE1 3.91Å; R480-E484 PolarHBondContact NE-OE1 3.27Å; R480-E484 IonicContact NH2-OE1 2.89Å; R480-E484 PolarHBondContact NH2-OE1 3.28Å; R480-E484 WeakPolarHBondContact O-CG 3.48Å; R480-E484 PolarHBondContact O-N 3.38Å; R480-L491 HydrophobicContact CG-CD1 3.8Å; R480-L491 PolarHBondContact NH2-O 3.4Å; R480-P492 VanDerWaalsContact CZ-O 3.29Å; R480-P492 PolarHBondContact NH1-O 3.32Å; R480-P492 PolarHBondContact NH2-O 3.2Å
481	H	83.5	Confident	88.6	Confident	88 Å²	88	32.2 Å²	32.2	41%	0.407	17%	0.171	S	C	.	.	H	α-helix	trans	-61.3	-28.6	-176.3	65.8	-89.4	0	0	0	112.6	P479 T485	P479-H481 VanDerWaalsContact C-N 3.31Å; P479-H481 WeakPolarHBondContact CB-CE1 3.34Å; P479-H481 WeakPolarHBondContact CB-ND1 3.47Å; P479-H481 PolarHBondContact O-N 3.37Å; H481-T485 WeakPolarHBondContact O-CB 3.48Å; H481-T485 PolarHBondContact O-N 3.46Å; H481-T485 PolarHBondContact O-OG1 3.18Å
482	I	87.2	Confident	87.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-72.9	-49	176.7	-59.3	162	0	0	0	109.6	I478 P479 R480 E484 T485 M486 C573 V575	I478-I482 HydrophobicContact CG2-CB 4.08Å; I478-I482 HydrophobicContact CG2-CD1 4.26Å; I478-I482 HydrophobicContact CG2-CG2 4.14Å; P479-I482 HydrophobicContact CB-CD1 3.73Å; P479-I482 HydrophobicContact CB-CG1 4.27Å; P479-I482 HydrophobicContact CG-CD1 3.7Å; P479-I482 WeakPolarHBondContact O-CB 3.29Å; P479-I482 PolarHBondContact O-N 3.31Å; R480-I482 PolarHBondContact O-N 3.24Å; I482-E484 VanDerWaalsContact C-N 3.32Å; I482-E484 PolarHBondContact O-N 3.46Å; I482-T485 PolarHBondContact O-N 2.9Å; I482-M486 HydrophobicContact CG2-CG 3.83Å; I482-M486 WeakPolarHBondContact O-CB 3.46Å; I482-M486 VanDerWaalsContact O-CG 3.26Å; I482-M486 WeakPolarHBondContact O-CG 3.41Å; I482-M486 PolarHBondContact O-N 3.07Å; I482-C573 WeakPolarHBondContact CD1-O 3.49Å; I482-V575 HydrophobicContact CG2-CG2 3.53Å
483	L	89.3	Confident	86.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.5	-44.2	178.4	-65.6	173.5	0	0	0	111.6	I478 P479 R480 T485 Y487 L507 L512 L547	I478-L483 HydrophobicContact CB-CD2 4.37Å; I478-L483 HydrophobicContact CB-CG 4.37Å; I478-L483 HydrophobicContact CG2-CD2 3.93Å; I478-L483 HydrophobicContact CG2-CG 3.86Å; P479-L483 PolarHBondContact O-N 2.84Å; R480-L483 PolarHBondContact O-N 2.91Å; R480-L483 VanDerWaalsContact O-N 3.16Å; L483-T485 VanDerWaalsContact C-N 3.28Å; L483-T485 PolarHBondContact O-N 3.03Å; L483-Y487 HydrophobicContact CD2-CE2 4.26Å; L483-Y487 WeakPolarHBondContact O-CD2 3.45Å; L483-Y487 PolarHBondContact O-N 3.29Å; L483-Y487 VanDerWaalsContact O-N 3.14Å; L483-L507 HydrophobicContact CD1-CD2 3.88Å; L483-L512 HydrophobicContact CB-CD1 4.34Å; L483-L512 HydrophobicContact CD1-CD1 4.29Å; L483-L512 HydrophobicContact CD1-CD2 4.11Å; L483-L547 HydrophobicContact CD2-CD1 4.02Å; L483-L547 HydrophobicContact CD2-CD2 4.09Å
484	E	89.2	Confident	85.1	Confident	34 Å²	34	43.1 Å²	43.1	16%	0.159	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-36.6	175.9	-69.6	-175.2	169.5	0	0	112.6	R480 I482 G488 I489 L491 K594	R480-E484 HydrophobicContact CG-CG 4.37Å; R480-E484 IonicContact CZ-OE1 3.63Å; R480-E484 IonicContact NE-OE1 3.91Å; R480-E484 PolarHBondContact NE-OE1 3.27Å; R480-E484 IonicContact NH2-OE1 2.89Å; R480-E484 PolarHBondContact NH2-OE1 3.28Å; R480-E484 WeakPolarHBondContact O-CG 3.48Å; R480-E484 PolarHBondContact O-N 3.38Å; I482-E484 VanDerWaalsContact C-N 3.32Å; I482-E484 PolarHBondContact O-N 3.46Å; E484-G488 CarbonylContact O-C 3.52Å; E484-G488 WeakPolarHBondContact O-CA 3.38Å; E484-G488 PolarHBondContact O-N 3.35Å; E484-I489 WeakPolarHBondContact CA-O 3.46Å; E484-I489 VanDerWaalsContact CB-O 3.31Å; E484-I489 WeakPolarHBondContact CB-O 3.47Å; E484-I489 PolarHBondContact O-N 3.37Å; E484-I489 VanDerWaalsContact O-N 3.12Å; E484-L491 HydrophobicContact CG-CB 4.15Å; E484-L491 HydrophobicContact CG-CD1 3.6Å; E484-L491 HydrophobicContact CG-CG 3.77Å; E484-L491 WeakPolarHBondContact OE1-CB 3.27Å; E484-K594 VanDerWaalsContact CB-NZ 3.34Å; E484-K594 PolarHBondContact O-NZ 3.45Å
485	T	86.7	Confident	83.2	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-84	-39.7	-175.3	-54.8	0	0	0	0	112	H481 I482 L483 G488 F587 R590 L591 K594	H481-T485 WeakPolarHBondContact O-CB 3.48Å; H481-T485 PolarHBondContact O-N 3.46Å; H481-T485 PolarHBondContact O-OG1 3.18Å; I482-T485 PolarHBondContact O-N 2.9Å; L483-T485 VanDerWaalsContact C-N 3.28Å; L483-T485 PolarHBondContact O-N 3.03Å; T485-G488 PolarHBondContact O-N 3.31Å; T485-F587 HydrophobicContact CG2-CD2 3.8Å; T485-F587 HydrophobicContact CG2-CE2 3.44Å; T485-F587 VanDerWaalsContact CG2-CE2 3.44Å; T485-F587 HydrophobicContact CG2-CZ 3.98Å; T485-R590 HydrophobicContact CG2-CB 3.97Å; T485-R590 PolarHBondContact O-NH1 3.28Å; T485-L591 HydrophobicContact CG2-CB 4.08Å; T485-K594 PolarHBondContact OG1-NZ 3.01Å
486	M	87.1	Confident	81.2	Confident	35 Å²	35	57.4 Å²	57.4	17%	0.172	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-52.4	177.5	-76.8	-62.5	-73.2	0	0	110.5	I482 R546 L547 V575 F578 F587	I482-M486 HydrophobicContact CG2-CG 3.83Å; I482-M486 WeakPolarHBondContact O-CB 3.46Å; I482-M486 VanDerWaalsContact O-CG 3.26Å; I482-M486 WeakPolarHBondContact O-CG 3.41Å; I482-M486 PolarHBondContact O-N 3.07Å; M486-R546 HydrophobicContact CE-CB 4.46Å; M486-L547 HydrophobicContact CE-CD2 4.44Å; M486-L547 HydrophobicContact CG-CD2 4.09Å; M486-V575 HydrophobicContact SD-CG1 4.03Å; M486-V575 HydrophobicContact SD-CG2 4.49Å; M486-F578 HydrophobicContact CE-CE1 4.12Å; M486-F578 HydrophobicContact CE-CZ 4Å; M486-F578 HydrophobicContact SD-CE1 4.29Å; M486-F578 HydrophobicContact SD-CZ 3.69Å; M486-F587 HydrophobicContact CB-CE2 4.37Å; M486-F587 HydrophobicContact CG-CD2 4.35Å; M486-F587 HydrophobicContact CG-CE2 3.62Å; M486-F587 HydrophobicContact CG-CZ 4.28Å; M486-F587 HydrophobicContact SD-CD2 3.56Å; M486-F587 VanDerWaalsContact SD-CD2 3.56Å; M486-F587 HydrophobicContact SD-CE2 3.32Å; M486-F587 WeakPolarHBondContact SD-CE2 3.43Å; M486-F587 HydrophobicContact SD-CG 4.42Å; M486-F587 HydrophobicContact SD-CZ 4.03Å
487	Y	89.3	Confident	79.1	Confident	29 Å²	29	58.2 Å²	58.2	11%	0.114	31%	0.311	C	S	.	.	H	α-helix	trans	-86.9	-14.3	-179.3	-65.1	-68.8	0	0	0	113	L483 I489 H516 M519 I538 D541 L547	L483-Y487 HydrophobicContact CD2-CE2 4.26Å; L483-Y487 WeakPolarHBondContact O-CD2 3.45Å; L483-Y487 PolarHBondContact O-N 3.29Å; L483-Y487 VanDerWaalsContact O-N 3.14Å; Y487-I489 PolarHBondContact O-N 3.23Å; Y487-H516 AromaticContact CD1-CD2 3.58Å; Y487-H516 AromaticContact CD1-NE2 3.59Å; Y487-H516 AromaticContact CE1-NE2 3.82Å; Y487-H516 AromaticContact CG-CD2 3.86Å; Y487-M519 WeakPolarHBondContact O-CE 3.21Å; Y487-I538 HydrophobicContact CE1-CG1 4.39Å; Y487-I538 HydrophobicContact CE2-CG1 4.25Å; Y487-D541 PolarHBondContact OH-OD2 2.93Å; Y487-L547 HydrophobicContact CE2-CD1 4.11Å
488	G	87.1	Confident	77.2	Confident	44 Å²	44	65.8 Å²	65.8	45%	0.454	35%	0.348	S	S	.	.			trans	69.3	24.8	-175.4	0	0	0	0	0	113.2	E484 T485	E484-G488 CarbonylContact O-C 3.52Å; E484-G488 WeakPolarHBondContact O-CA 3.38Å; E484-G488 PolarHBondContact O-N 3.35Å; T485-G488 PolarHBondContact O-N 3.31Å
489	I	88.3	Confident	75.2	Confident	4 Å²	4	70.9 Å²	70.9	2%	0.021	38%	0.379	C	S	.	.			trans	-92.8	147.8	178.7	59.1	-176.9	0	0	0	110.8	E484 Y487 L491 L512 A515 M519	E484-I489 WeakPolarHBondContact CA-O 3.46Å; E484-I489 VanDerWaalsContact CB-O 3.31Å; E484-I489 WeakPolarHBondContact CB-O 3.47Å; E484-I489 PolarHBondContact O-N 3.37Å; E484-I489 VanDerWaalsContact O-N 3.12Å; Y487-I489 PolarHBondContact O-N 3.23Å; I489-L491 HydrophobicContact CD1-CD2 3.86Å; I489-L491 HydrophobicContact CD1-CG 4.22Å; I489-L491 HydrophobicContact CG1-CD2 4.37Å; I489-L491 HydrophobicContact CG1-CG 4.31Å; I489-L512 HydrophobicContact CD1-CD1 3.57Å; I489-A515 HydrophobicContact CB-CB 4.29Å; I489-A515 HydrophobicContact CD1-CB 4.38Å; I489-M519 HydrophobicContact CG2-CB 4.04Å; I489-M519 HydrophobicContact CG2-CE 3.75Å; I489-M519 HydrophobicContact CG2-CG 4.35Å; I489-M519 HydrophobicContact CG2-SD 3.46Å; I489-M519 WeakPolarHBondContact CG2-SD 3.41Å
490	N	85.9	Confident	73.3	Confident	138 Å²	138	78.7 Å²	78.7	74%	0.738	41%	0.408	S	S	*	.			trans	-101.3	106.5	169.9	-65.6	-27.2	0	0	0	107.8
491	L	84.6	Confident	71.6	Confident	10 Å²	10	81.5 Å²	81.5	5%	0.052	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-79.1	148.8	176.1	-61.9	168.4	0	0	0	109.4	R480 E484 I489 K493 L507 L512 A515	R480-L491 HydrophobicContact CG-CD1 3.8Å; R480-L491 PolarHBondContact NH2-O 3.4Å; E484-L491 HydrophobicContact CG-CB 4.15Å; E484-L491 HydrophobicContact CG-CD1 3.6Å; E484-L491 HydrophobicContact CG-CG 3.77Å; E484-L491 WeakPolarHBondContact OE1-CB 3.27Å; I489-L491 HydrophobicContact CD1-CD2 3.86Å; I489-L491 HydrophobicContact CD1-CG 4.22Å; I489-L491 HydrophobicContact CG1-CD2 4.37Å; I489-L491 HydrophobicContact CG1-CG 4.31Å; L491-K493 PolarHBondContact O-N 3.45Å; L491-L507 HydrophobicContact CD1-CD1 3.91Å; L491-L507 HydrophobicContact CD1-CD2 3.48Å; L491-L507 VanDerWaalsContact CD1-CD2 3.48Å; L491-L507 HydrophobicContact CD1-CG 4.35Å; L491-L507 HydrophobicContact CD2-CD1 4.27Å; L491-L507 HydrophobicContact CD2-CD2 4.45Å; L491-L507 HydrophobicContact CG-CD1 4.47Å; L491-L512 HydrophobicContact CD2-CD1 4.2Å; L491-A515 HydrophobicContact CD2-CB 3.71Å
492	P	76.2	Confident	69.9	Low	64 Å²	64	79 Å²	79	42%	0.416	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-61.8	132.9	179.4	24.7	-32.4	0	0	0	110.7	R480 E511	R480-P492 VanDerWaalsContact CZ-O 3.29Å; R480-P492 PolarHBondContact NH1-O 3.32Å; R480-P492 PolarHBondContact NH2-O 3.2Å; P492-E511 HydrophobicContact CG-CB 4.21Å; P492-E511 HydrophobicContact CG-CG 3.88Å
493	K	70.1	Confident	68.3	Low	138 Å²	138	86.6 Å²	86.6	60%	0.6	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-75	141.2	165.5	-64.4	-176.6	-179.2	-177.9	0	107.5	L491 Q495	L491-K493 PolarHBondContact O-N 3.45Å; K493-Q495 PolarHBondContact O-N 2.99Å
494	S	58.6	Low	66.9	Low	48 Å²	48	93.3 Å²	93.3	34%	0.336	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-57.9	123.2	179.6	-172.7	0	0	0	0	109.9	N496	S494-N496 PolarHBondContact O-N 3.02Å
495	Q	52.8	Low	66	Low	172 Å²	172	97.5 Å²	97.5	80%	0.804	52%	0.515	S	S	*	.			trans	-79.1	-7.5	178.9	-66.5	-178.3	4.7	0	0	112.7	K493 T497	K493-Q495 PolarHBondContact O-N 2.99Å; Q495-T497 PolarHBondContact O-N 3.33Å; Q495-T497 PolarHBondContact O-OG1 3.33Å; Q495-T497 VanDerWaalsContact O-OG1 3.14Å
496	N	49.9	Very low	65.3	Low	136 Å²	136	102.7 Å²	102.7	73%	0.727	54%	0.542	S	S	*	.			trans	-87.4	94.6	-179	-73.3	-5.6	0	0	0	111.1	S494 Q498	S494-N496 PolarHBondContact O-N 3.02Å; N496-Q498 PolarHBondContact O-N 3.47Å
497	T	45.9	Very low	65.2	Low	139 Å²	139	101.5 Å²	101.5	85%	0.853	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	31.9	-169.4	-23	0	0	0	0	115.4	Q495	Q495-T497 PolarHBondContact O-N 3.33Å; Q495-T497 PolarHBondContact O-OG1 3.33Å; Q495-T497 VanDerWaalsContact O-OG1 3.14Å
498	Q	47.7	Very low	65.1	Low	193 Å²	193	102.3 Å²	102.3	90%	0.902	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	-10.4	179.8	-67.8	-160.5	0.1	0	0	115.8	N496	N496-Q498 PolarHBondContact O-N 3.47Å
499	V	47.4	Very low	65.3	Low	111 Å²	111	101.6 Å²	101.6	67%	0.673	53%	0.532	S	S	*	.			trans	-109.6	112.2	172	-173.7	0	0	0	0	107.7	D501	V499-D501 HydrophobicContact CG1-CB 4.27Å; V499-D501 PolarHBondContact O-N 3.5Å
500	K	45.6	Very low	65.4	Low	212 Å²	212	105.7 Å²	105.7	92%	0.922	55%	0.55	S	S	*	*	S	Bend	trans	-61.5	-7.7	-178.4	-75.1	-178.1	174.8	180	0	113.9	G502	K500-G502 PolarHBondContact O-N 2.95Å
501	D	50.8	Low	65.7	Low	113 Å²	113	101.3 Å²	101.3	60%	0.604	53%	0.526	S	S	*	.			trans	-95.9	43.4	178.5	-64.8	-26.6	0	0	0	113.5	V499 L503 N504	V499-D501 HydrophobicContact CG1-CB 4.27Å; V499-D501 PolarHBondContact O-N 3.5Å; D501-L503 PolarHBondContact O-N 3.03Å; D501-N504 PolarHBondContact O-N 3.36Å; D501-N504 VanDerWaalsContact O-N 3.14Å
502	G	48.1	Very low	66.1	Low	36 Å²	36	100.8 Å²	100.8	37%	0.371	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.6	-179.3	0	0	0	0	0	115.2	K500	K500-G502 PolarHBondContact O-N 2.95Å
503	L	54	Low	67	Low	159 Å²	159	97.8 Å²	97.8	83%	0.832	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-23.2	178.9	-66	174	0	0	0	113.6	D501	D501-L503 PolarHBondContact O-N 3.03Å
504	N	60	Low	68.1	Low	142 Å²	142	92.1 Å²	92.1	76%	0.759	48%	0.482	S	S	*	.	S	Bend	trans	-96.1	4.7	-175.7	-94	-2.4	0	0	0	114.1	D501 I506	D501-N504 PolarHBondContact O-N 3.36Å; D501-N504 VanDerWaalsContact O-N 3.14Å; N504-I506 PolarHBondContact O-N 3.14Å
505	R	69.5	Low	69.7	Low	121 Å²	121	90.8 Å²	90.8	46%	0.457	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-67.9	127.4	176.7	-178.5	177.8	168.8	-152.5	-14.9	110.6	L507 E511	R505-L507 PolarHBondContact O-N 3.36Å; R505-E511 IonicContact CZ-OE1 3.26Å; R505-E511 IonicContact NH2-OE1 3.36Å; R505-E511 PolarHBondContact NH2-OE1 2.87Å
506	I	73.4	Confident	71.7	Confident	112 Å²	112	82.6 Å²	82.6	57%	0.574	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-58.2	126.7	170.9	-57.3	172.8	0	0	0	109.2	N504 T508	N504-I506 PolarHBondContact O-N 3.14Å; I506-T508 PolarHBondContact O-N 2.74Å
507	L	83.1	Confident	73.8	Confident	10 Å²	10	76.1 Å²	76.1	5%	0.052	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-67.9	129.2	-178.5	178.9	62.7	0	0	0	110.3	C475 L483 L491 R505 E511 L512	C475-L507 HydrophobicContact CB-CB 4.16Å; C475-L507 VanDerWaalsContact CB-O 3.25Å; C475-L507 WeakPolarHBondContact CB-O 3.11Å; L483-L507 HydrophobicContact CD1-CD2 3.88Å; L491-L507 HydrophobicContact CD1-CD1 3.91Å; L491-L507 HydrophobicContact CD1-CD2 3.48Å; L491-L507 VanDerWaalsContact CD1-CD2 3.48Å; L491-L507 HydrophobicContact CD1-CG 4.35Å; L491-L507 HydrophobicContact CD2-CD1 4.27Å; L491-L507 HydrophobicContact CD2-CD2 4.45Å; L491-L507 HydrophobicContact CG-CD1 4.47Å; R505-L507 PolarHBondContact O-N 3.36Å; L507-E511 HydrophobicContact CD1-CB 3.84Å; L507-L512 HydrophobicContact CD2-CB 3.79Å; L507-L512 HydrophobicContact CD2-CD1 4.03Å; L507-L512 HydrophobicContact CD2-CD2 4.35Å; L507-L512 HydrophobicContact CD2-CG 4.26Å; L507-L512 HydrophobicContact CG-CB 4.27Å
508	T	87.3	Confident	76	Confident	46 Å²	46	76 Å²	76	28%	0.282	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-74.5	142.8	174.3	68.3	0	0	0	0	110.1	I506 H510 E511 L512	I506-T508 PolarHBondContact O-N 2.74Å; T508-H510 PolarHBondContact O-N 3.38Å; T508-E511 PolarHBondContact O-N 3.15Å; T508-E511 VanDerWaalsContact O-N 3.16Å; T508-E511 WeakPolarHBondContact OG1-CB 3.49Å; T508-E511 WeakPolarHBondContact OG1-CG 3.12Å; T508-E511 PolarHBondContact OG1-N 3.27Å; T508-E511 PolarHBondContact OG1-OE1 3.32Å; T508-L512 PolarHBondContact O-N 3.03Å
509	P	91.9	Very high	78	Confident	29 Å²	29	70.5 Å²	70.5	19%	0.188	36%	0.364	C	S	.	.	H	α-helix	trans	-60	-34.1	-178.6	22.2	-33	0	0	0	112.1	L468 V471 L512 L513	L468-P509 HydrophobicContact CD2-CB 4.43Å; V471-P509 HydrophobicContact CB-CB 4.19Å; V471-P509 HydrophobicContact CG1-CB 3.84Å; P509-L512 PolarHBondContact O-N 2.9Å; P509-L513 WeakPolarHBondContact O-CB 3.16Å; P509-L513 WeakPolarHBondContact O-CG 3.31Å; P509-L513 PolarHBondContact O-N 3.25Å
510	H	91.7	Very high	80.1	Confident	90 Å²	90	69.7 Å²	69.7	42%	0.417	35%	0.353	S	S	.	.	H	α-helix	trans	-64.2	-41	177.2	-71.7	-69.4	0	0	0	113.1	L468 T508 L513 A514	L468-H510 VanDerWaalsContact CD2-CE1 3.49Å; L468-H510 WeakPolarHBondContact CD2-CE1 3.47Å; T508-H510 PolarHBondContact O-N 3.38Å; H510-L513 PolarHBondContact O-N 3.31Å; H510-A514 WeakPolarHBondContact O-CB 3.38Å; H510-A514 PolarHBondContact O-N 3.26Å
511	E	91.3	Very high	82.3	Confident	46 Å²	46	61.6 Å²	61.6	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-62.9	-44.3	178.1	-74.8	166.1	-146.1	0	0	111.1	P492 R505 L507 T508 A515	P492-E511 HydrophobicContact CG-CB 4.21Å; P492-E511 HydrophobicContact CG-CG 3.88Å; R505-E511 IonicContact CZ-OE1 3.26Å; R505-E511 IonicContact NH2-OE1 3.36Å; R505-E511 PolarHBondContact NH2-OE1 2.87Å; L507-E511 HydrophobicContact CD1-CB 3.84Å; T508-E511 PolarHBondContact O-N 3.15Å; T508-E511 VanDerWaalsContact O-N 3.16Å; T508-E511 WeakPolarHBondContact OG1-CB 3.49Å; T508-E511 WeakPolarHBondContact OG1-CG 3.12Å; T508-E511 PolarHBondContact OG1-N 3.27Å; T508-E511 PolarHBondContact OG1-OE1 3.32Å; E511-A515 WeakPolarHBondContact O-CB 3.26Å; E511-A515 PolarHBondContact O-N 3.45Å; E511-A515 VanDerWaalsContact O-N 3.09Å
512	L	93.2	Very high	84.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-52.5	176.7	-178.3	60	0	0	0	111.7	V471 C475 L483 I489 L491 L507 T508 P509 A514 A515 H516 I538	V471-L512 HydrophobicContact CG1-CD2 4.12Å; C475-L512 VanDerWaalsContact SG-CD2 3.53Å; L483-L512 HydrophobicContact CB-CD1 4.34Å; L483-L512 HydrophobicContact CD1-CD1 4.29Å; L483-L512 HydrophobicContact CD1-CD2 4.11Å; I489-L512 HydrophobicContact CD1-CD1 3.57Å; L491-L512 HydrophobicContact CD2-CD1 4.2Å; L507-L512 HydrophobicContact CD2-CB 3.79Å; L507-L512 HydrophobicContact CD2-CD1 4.03Å; L507-L512 HydrophobicContact CD2-CD2 4.35Å; L507-L512 HydrophobicContact CD2-CG 4.26Å; L507-L512 HydrophobicContact CG-CB 4.27Å; T508-L512 PolarHBondContact O-N 3.03Å; P509-L512 PolarHBondContact O-N 2.9Å; L512-A514 PolarHBondContact O-N 3.15Å; L512-A515 PolarHBondContact O-N 3.44Å; L512-H516 WeakPolarHBondContact O-CB 3.46Å; L512-H516 PolarHBondContact O-N 3.19Å; L512-I538 HydrophobicContact CD2-CD1 4.27Å; L512-I538 HydrophobicContact CG-CD1 4.18Å
513	L	94.5	Very high	86.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.3	-38	-175.7	-67.7	173.1	0	0	0	111.9	Y467 L468 V471 P509 H510 A517 Y531 A535 I538	Y467-L513 HydrophobicContact CD2-CD1 3.87Å; Y467-L513 HydrophobicContact CE2-CD1 4.06Å; L468-L513 HydrophobicContact CD2-CD1 4.17Å; V471-L513 HydrophobicContact CG1-CD1 4.25Å; V471-L513 HydrophobicContact CG1-CD2 4.26Å; V471-L513 HydrophobicContact CG1-CG 4.11Å; V471-L513 HydrophobicContact CG2-CD1 4.42Å; V471-L513 HydrophobicContact CG2-CD2 4.26Å; P509-L513 WeakPolarHBondContact O-CB 3.16Å; P509-L513 WeakPolarHBondContact O-CG 3.31Å; P509-L513 PolarHBondContact O-N 3.25Å; H510-L513 PolarHBondContact O-N 3.31Å; L513-A517 WeakPolarHBondContact O-CB 3.14Å; L513-A517 PolarHBondContact O-N 3.41Å; L513-Y531 HydrophobicContact CB-CD1 3.73Å; L513-Y531 HydrophobicContact CB-CE1 4.46Å; L513-Y531 HydrophobicContact CB-CG 4.4Å; L513-A535 HydrophobicContact CD1-CB 4.34Å; L513-A535 HydrophobicContact CD2-CB 3.7Å; L513-I538 HydrophobicContact CD2-CD1 4.05Å
514	A	92.7	Very high	88.4	Confident	19 Å²	19	55.2 Å²	55.2	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-51.2	175.1	0	0	0	0	0	111.3	H510 L512 H516 A517 F518 Y531	H510-A514 WeakPolarHBondContact O-CB 3.38Å; H510-A514 PolarHBondContact O-N 3.26Å; L512-A514 PolarHBondContact O-N 3.15Å; A514-H516 VanDerWaalsContact C-N 3.32Å; A514-H516 PolarHBondContact O-N 3.11Å; A514-A517 PolarHBondContact O-N 3.24Å; A514-F518 HydrophobicContact CB-CD2 4.38Å; A514-F518 HydrophobicContact CB-CE2 4.28Å; A514-F518 WeakPolarHBondContact O-CB 3.27Å; A514-F518 WeakPolarHBondContact O-CD2 3.2Å; A514-F518 PolarHBondContact O-N 3.49Å; A514-Y531 HydrophobicContact CB-CE1 3.91Å
515	A	92.7	Very high	89.9	Confident	20 Å²	20	54 Å²	54	17%	0.165	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-43.6	-179.4	0	0	0	0	0	111.8	I489 L491 E511 L512 M519	I489-A515 HydrophobicContact CB-CB 4.29Å; I489-A515 HydrophobicContact CD1-CB 4.38Å; L491-A515 HydrophobicContact CD2-CB 3.71Å; E511-A515 WeakPolarHBondContact O-CB 3.26Å; E511-A515 PolarHBondContact O-N 3.45Å; E511-A515 VanDerWaalsContact O-N 3.09Å; L512-A515 PolarHBondContact O-N 3.44Å; A515-M519 WeakPolarHBondContact O-CB 3.35Å; A515-M519 PolarHBondContact O-N 3.49Å; A515-M519 VanDerWaalsContact O-N 3.07Å
516	H	94.2	Very high	90.9	Very high	1 Å²	1	57 Å²	57	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-47.4	176.1	-175.7	-93.7	0	0	0	112.2	Y487 L512 A514 F518 M519 H520 S534 I538	Y487-H516 AromaticContact CD1-CD2 3.58Å; Y487-H516 AromaticContact CD1-NE2 3.59Å; Y487-H516 AromaticContact CE1-NE2 3.82Å; Y487-H516 AromaticContact CG-CD2 3.86Å; L512-H516 WeakPolarHBondContact O-CB 3.46Å; L512-H516 PolarHBondContact O-N 3.19Å; A514-H516 VanDerWaalsContact C-N 3.32Å; A514-H516 PolarHBondContact O-N 3.11Å; H516-F518 PolarHBondContact O-N 3.03Å; H516-M519 PolarHBondContact O-N 2.88Å; H516-H520 AromaticContact CD2-CD2 3.75Å; H516-H520 AromaticContact CD2-NE2 3.91Å; H516-H520 AromaticContact CE1-CD2 3.49Å; H516-H520 PolarHBondContact CE1-CD2 3.45Å; H516-H520 VanDerWaalsContact CE1-CD2 3.49Å; H516-H520 AromaticContact CE1-NE2 3.85Å; H516-H520 AromaticContact ND1-CD2 3.88Å; H516-H520 AromaticContact NE2-CD2 3.38Å; H516-H520 PolarHBondContact NE2-CD2 3.41Å; H516-H520 AromaticContact NE2-NE2 3.35Å; H516-H520 PolarHBondContact NE2-NE2 3.37Å; H516-H520 PolarHBondContact O-CD2 3.02Å; H516-H520 PolarHBondContact O-N 2.83Å; H516-H520 VanDerWaalsContact O-N 3.11Å; H516-S534 WeakPolarHBondContact ND1-CB 3.1Å; H516-S534 PolarHBondContact ND1-OG 3.18Å; H516-I538 HydrophobicContact CB-CD1 4.24Å
517	A	94.4	Very high	91.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-44.4	178.7	0	0	0	0	0	112.1	L513 A514 H520 G521 F522 P529 S534	L513-A517 WeakPolarHBondContact O-CB 3.14Å; L513-A517 PolarHBondContact O-N 3.41Å; A514-A517 PolarHBondContact O-N 3.24Å; A517-H520 PolarHBondContact O-N 3.21Å; A517-G521 WeakPolarHBondContact O-CA 3.14Å; A517-G521 PolarHBondContact O-N 3Å; A517-F522 HydrophobicContact CB-CB 4.33Å; A517-F522 PolarHBondContact O-N 3Å; A517-P529 HydrophobicContact CB-CB 3.59Å; A517-S534 WeakPolarHBondContact CA-OG 3.43Å; A517-S534 WeakPolarHBondContact CB-OG 3.47Å
518	F	92.1	Very high	92.1	Very high	135 Å²	135	57.7 Å²	57.7	59%	0.592	33%	0.326	S	S	*	.	H	α-helix	trans	-65.3	-42.3	178.9	-78.6	-58.7	0	0	0	112.5	A514 H516 H520 G521 P529	A514-F518 HydrophobicContact CB-CD2 4.38Å; A514-F518 HydrophobicContact CB-CE2 4.28Å; A514-F518 WeakPolarHBondContact O-CB 3.27Å; A514-F518 WeakPolarHBondContact O-CD2 3.2Å; A514-F518 PolarHBondContact O-N 3.49Å; H516-F518 PolarHBondContact O-N 3.03Å; F518-H520 VanDerWaalsContact C-N 3.34Å; F518-H520 PolarHBondContact O-N 3.43Å; F518-G521 PolarHBondContact O-N 3.22Å; F518-P529 HydrophobicContact CE1-CB 4.47Å; F518-P529 HydrophobicContact CE1-CG 4.47Å; F518-P529 HydrophobicContact CE2-CB 4.38Å; F518-P529 HydrophobicContact CE2-CG 4.05Å; F518-P529 HydrophobicContact CZ-CB 4.25Å; F518-P529 HydrophobicContact CZ-CG 3.86Å
519	M	91	Very high	92.4	Very high	78 Å²	78	56.1 Å²	56.1	38%	0.384	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-42.8	178.1	-176.7	-166.9	65.3	0	0	111.8	Y487 I489 A515 H516 G521	Y487-M519 WeakPolarHBondContact O-CE 3.21Å; I489-M519 HydrophobicContact CG2-CB 4.04Å; I489-M519 HydrophobicContact CG2-CE 3.75Å; I489-M519 HydrophobicContact CG2-CG 4.35Å; I489-M519 HydrophobicContact CG2-SD 3.46Å; I489-M519 WeakPolarHBondContact CG2-SD 3.41Å; A515-M519 WeakPolarHBondContact O-CB 3.35Å; A515-M519 PolarHBondContact O-N 3.49Å; A515-M519 VanDerWaalsContact O-N 3.07Å; H516-M519 PolarHBondContact O-N 2.88Å; M519-G521 VanDerWaalsContact C-N 3.35Å
520	H	90.5	Very high	92.5	Very high	95 Å²	95	57 Å²	57	44%	0.44	32%	0.319	S	S	.	.	H	α-helix	trans	-80.1	-13.9	178	-77.7	-75	0	0	0	114	H516 A517 F518 F522	H516-H520 AromaticContact CD2-CD2 3.75Å; H516-H520 AromaticContact CD2-NE2 3.91Å; H516-H520 AromaticContact CE1-CD2 3.49Å; H516-H520 PolarHBondContact CE1-CD2 3.45Å; H516-H520 VanDerWaalsContact CE1-CD2 3.49Å; H516-H520 AromaticContact CE1-NE2 3.85Å; H516-H520 AromaticContact ND1-CD2 3.88Å; H516-H520 AromaticContact NE2-CD2 3.38Å; H516-H520 PolarHBondContact NE2-CD2 3.41Å; H516-H520 AromaticContact NE2-NE2 3.35Å; H516-H520 PolarHBondContact NE2-NE2 3.37Å; H516-H520 PolarHBondContact O-CD2 3.02Å; H516-H520 PolarHBondContact O-N 2.83Å; H516-H520 VanDerWaalsContact O-N 3.11Å; A517-H520 PolarHBondContact O-N 3.21Å; F518-H520 VanDerWaalsContact C-N 3.34Å; F518-H520 PolarHBondContact O-N 3.43Å; H520-F522 HydrophobicContact CB-CD1 4.12Å; H520-F522 HydrophobicContact CB-CD2 3.72Å; H520-F522 HydrophobicContact CB-CE1 3.94Å; H520-F522 HydrophobicContact CB-CE2 3.52Å; H520-F522 HydrophobicContact CB-CG 4.02Å; H520-F522 HydrophobicContact CB-CZ 3.65Å; H520-F522 AromaticContact CG-CE2 3.87Å; H520-F522 AromaticContact CG-CZ 3.99Å
521	G	91.4	Very high	92.6	Very high	42 Å²	42	55.9 Å²	55.9	43%	0.433	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	28.2	-174.5	0	0	0	0	0	113.3	A517 F518 M519 M523	A517-G521 WeakPolarHBondContact O-CA 3.14Å; A517-G521 PolarHBondContact O-N 3Å; F518-G521 PolarHBondContact O-N 3.22Å; M519-G521 VanDerWaalsContact C-N 3.35Å; G521-M523 PolarHBondContact O-N 2.99Å
522	F	93.8	Very high	92.7	Very high	26 Å²	26	56.1 Å²	56.1	11%	0.114	32%	0.315	C	S	.	.			trans	-76.5	102.1	174.2	-61.4	-31	0	0	0	109.6	A517 H520 P529 N530 R533 I537	A517-F522 HydrophobicContact CB-CB 4.33Å; A517-F522 PolarHBondContact O-N 3Å; H520-F522 HydrophobicContact CB-CD1 4.12Å; H520-F522 HydrophobicContact CB-CD2 3.72Å; H520-F522 HydrophobicContact CB-CE1 3.94Å; H520-F522 HydrophobicContact CB-CE2 3.52Å; H520-F522 HydrophobicContact CB-CG 4.02Å; H520-F522 HydrophobicContact CB-CZ 3.65Å; H520-F522 AromaticContact CG-CE2 3.87Å; H520-F522 AromaticContact CG-CZ 3.99Å; F522-P529 CarbonylContact O-C 3.56Å; F522-P529 WeakPolarHBondContact O-CA 3.47Å; F522-N530 HydrophobicContact CB-CB 4.2Å; F522-N530 PolarHBondContact O-N 3.46Å; F522-R533 HydrophobicContact CD2-CG 4.35Å; F522-R533 HydrophobicContact CE2-CG 4.42Å; F522-I537 HydrophobicContact CE2-CD1 3.48Å; F522-I537 VanDerWaalsContact CE2-CD1 3.48Å; F522-I537 HydrophobicContact CZ-CD1 3.68Å
523	M	93.9	Very high	92.8	Very high	93 Å²	93	62.7 Å²	62.7	46%	0.458	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-118.7	141.8	-179.7	-62.1	131.8	78.6	0	0	109.9	G521 N528 W686	G521-M523 PolarHBondContact O-N 2.99Å; M523-N528 CarbonylContact C-O 3.57Å; M523-N528 WeakPolarHBondContact CA-O 3.31Å; M523-W686 HydrophobicContact CE-CB 4.45Å
524	T	93.2	Very high	92.8	Very high	54 Å²	54	62.7 Å²	62.7	33%	0.331	34%	0.34	S	S	.	.			trans	-72.8	165.9	166.4	60.9	0	0	0	0	109.8	K526 G527 N528 N530	T524-K526 PolarHBondContact O-N 2.87Å; T524-G527 PolarHBondContact O-N 2.94Å; T524-N528 PolarHBondContact N-O 3.32Å; T524-N528 PolarHBondContact OG1-N 3.36Å; T524-N528 PolarHBondContact OG1-O 2.96Å; T524-N530 HydrophobicContact CG2-CB 4.02Å
525	A	92.2	Very high	93	Very high	117 Å²	117	61.8 Å²	61.8	97%	0.967	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.7	176.2	0	0	0	0	0	113.2	G527	A525-G527 VanDerWaalsContact C-N 3.29Å; A525-G527 PolarHBondContact O-N 2.79Å
526	K	91.5	Very high	93.1	Very high	185 Å²	185	63.1 Å²	63.1	80%	0.804	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.1	177.1	-62.2	-175.7	178.7	-178.8	0	113.9	T524 N528	T524-K526 PolarHBondContact O-N 2.87Å; K526-N528 VanDerWaalsContact C-N 3.33Å
527	G	88.7	Confident	93.1	Very high	34 Å²	34	65.8 Å²	65.8	35%	0.351	35%	0.347	S	S	.	.	S	Bend	trans	85.3	-3.3	-177.3	0	0	0	0	0	115.3	T524 A525	T524-G527 PolarHBondContact O-N 2.94Å; A525-G527 VanDerWaalsContact C-N 3.29Å; A525-G527 PolarHBondContact O-N 2.79Å
528	N	91.7	Very high	93.1	Very high	102 Å²	102	65.8 Å²	65.8	55%	0.545	35%	0.347	S	S	.	.	S	Bend	trans	-76	148.9	173.9	-67.1	-17.5	0	0	0	110.9	M523 T524 K526 N530	M523-N528 CarbonylContact C-O 3.57Å; M523-N528 WeakPolarHBondContact CA-O 3.31Å; T524-N528 PolarHBondContact N-O 3.32Å; T524-N528 PolarHBondContact OG1-N 3.36Å; T524-N528 PolarHBondContact OG1-O 2.96Å; K526-N528 VanDerWaalsContact C-N 3.33Å; N528-N530 PolarHBondContact O-N 3.5Å
529	P	93.1	Very high	93.3	Very high	13 Å²	13	59.4 Å²	59.4	8%	0.084	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-57.9	136.9	176.2	24	-33.9	0	0	0	111.7	A517 F518 F522 Y531	A517-P529 HydrophobicContact CB-CB 3.59Å; F518-P529 HydrophobicContact CE1-CB 4.47Å; F518-P529 HydrophobicContact CE1-CG 4.47Å; F518-P529 HydrophobicContact CE2-CB 4.38Å; F518-P529 HydrophobicContact CE2-CG 4.05Å; F518-P529 HydrophobicContact CZ-CB 4.25Å; F518-P529 HydrophobicContact CZ-CG 3.86Å; F522-P529 CarbonylContact O-C 3.56Å; F522-P529 WeakPolarHBondContact O-CA 3.47Å; P529-Y531 HydrophobicContact CB-CD1 4.45Å; P529-Y531 HydrophobicContact CB-CE1 3.99Å; P529-Y531 HydrophobicContact CG-CD1 4.49Å; P529-Y531 HydrophobicContact CG-CE1 3.64Å; P529-Y531 PolarHBondContact O-N 3.4Å
530	N	94.2	Very high	93.4	Very high	46 Å²	46	59.1 Å²	59.1	25%	0.246	32%	0.316	C	S	.	.			trans	-85.5	98.1	176.5	-174.5	-18.5	0	0	0	109.8	F522 T524 N528 D532 R533 S534	F522-N530 HydrophobicContact CB-CB 4.2Å; F522-N530 PolarHBondContact O-N 3.46Å; T524-N530 HydrophobicContact CG2-CB 4.02Å; N528-N530 PolarHBondContact O-N 3.5Å; N530-D532 PolarHBondContact OD1-N 3.36Å; N530-R533 PolarHBondContact OD1-N 3.4Å; N530-R533 VanDerWaalsContact OD1-N 3.12Å; N530-S534 PolarHBondContact O-N 2.79Å; N530-S534 PolarHBondContact O-OG 3.38Å; N530-S534 VanDerWaalsContact O-OG 3.09Å
531	Y	94.8	Very high	93.5	Very high	68 Å²	68	55.5 Å²	55.5	27%	0.267	30%	0.299	S	S	.	.	H	α-helix	trans	-69.7	-41.1	179.6	-58.5	-46.3	0	0	0	113	L513 A514 P529 R533 S534 A535	L513-Y531 HydrophobicContact CB-CD1 3.73Å; L513-Y531 HydrophobicContact CB-CE1 4.46Å; L513-Y531 HydrophobicContact CB-CG 4.4Å; A514-Y531 HydrophobicContact CB-CE1 3.91Å; P529-Y531 HydrophobicContact CB-CD1 4.45Å; P529-Y531 HydrophobicContact CB-CE1 3.99Å; P529-Y531 HydrophobicContact CG-CD1 4.49Å; P529-Y531 HydrophobicContact CG-CE1 3.64Å; P529-Y531 PolarHBondContact O-N 3.4Å; Y531-R533 PolarHBondContact O-N 3.29Å; Y531-S534 WeakPolarHBondContact O-CB 3.49Å; Y531-S534 PolarHBondContact O-N 3.11Å; Y531-S534 VanDerWaalsContact O-N 3.13Å; Y531-A535 WeakPolarHBondContact O-CB 3.32Å; Y531-A535 PolarHBondContact O-N 3.49Å
532	D	93.9	Very high	93.6	Very high	51 Å²	51	54 Å²	54	27%	0.273	28%	0.281	S	S	.	.	H	α-helix	trans	-58	-49.3	-177.6	177.5	83.5	0	0	0	111.6	Y467 N530 S534 A535 R536	Y467-D532 HydrophobicContact CD1-CB 4.34Å; Y467-D532 HydrophobicContact CE1-CB 4.22Å; N530-D532 PolarHBondContact OD1-N 3.36Å; D532-S534 VanDerWaalsContact C-N 3.31Å; D532-S534 PolarHBondContact O-N 3.21Å; D532-A535 PolarHBondContact O-N 3.38Å; D532-R536 VanDerWaalsContact CG-NE 3.34Å; D532-R536 WeakPolarHBondContact O-CG 3.32Å; D532-R536 PolarHBondContact O-N 3.45Å; D532-R536 IonicContact OD1-CZ 2.8Å; D532-R536 IonicContact OD1-NE 2.77Å; D532-R536 PolarHBondContact OD1-NE 3.06Å; D532-R536 IonicContact OD1-NH2 3.52Å; D532-R536 PolarHBondContact OD1-NH2 3.49Å; D532-R536 IonicContact OD2-CZ 3.39Å; D532-R536 IonicContact OD2-NE 2.73Å; D532-R536 PolarHBondContact OD2-NE 3.37Å; D532-R536 IonicContact OD2-NH2 3.62Å; D532-R536 PolarHBondContact OD2-NH2 3.26Å
533	R	93.9	Very high	93.5	Very high	138 Å²	138	53.6 Å²	53.6	52%	0.521	28%	0.28	S	S	.	.	H	α-helix	trans	-60.7	-41.7	176.9	-172.6	177.4	-173.7	-177.5	3.1	112	F522 N530 Y531 I537	F522-R533 HydrophobicContact CD2-CG 4.35Å; F522-R533 HydrophobicContact CE2-CG 4.42Å; N530-R533 PolarHBondContact OD1-N 3.4Å; N530-R533 VanDerWaalsContact OD1-N 3.12Å; Y531-R533 PolarHBondContact O-N 3.29Å; R533-I537 HydrophobicContact CG-CD1 4.36Å; R533-I537 WeakPolarHBondContact O-CD1 3.25Å; R533-I537 WeakPolarHBondContact O-CG1 3.41Å; R533-I537 PolarHBondContact O-N 2.67Å
534	S	95.2	Very high	93.3	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.6	-44	178.7	-63.2	0	0	0	0	111.6	H516 A517 N530 Y531 D532 R536 I537 I538	H516-S534 WeakPolarHBondContact ND1-CB 3.1Å; H516-S534 PolarHBondContact ND1-OG 3.18Å; A517-S534 WeakPolarHBondContact CA-OG 3.43Å; A517-S534 WeakPolarHBondContact CB-OG 3.47Å; N530-S534 PolarHBondContact O-N 2.79Å; N530-S534 PolarHBondContact O-OG 3.38Å; N530-S534 VanDerWaalsContact O-OG 3.09Å; Y531-S534 WeakPolarHBondContact O-CB 3.49Å; Y531-S534 PolarHBondContact O-N 3.11Å; Y531-S534 VanDerWaalsContact O-N 3.13Å; D532-S534 VanDerWaalsContact C-N 3.31Å; D532-S534 PolarHBondContact O-N 3.21Å; S534-R536 PolarHBondContact O-N 3.3Å; S534-I537 PolarHBondContact O-N 3.04Å; S534-I538 WeakPolarHBondContact O-CG1 3.43Å; S534-I538 PolarHBondContact O-N 2.74Å; S534-I538 VanDerWaalsContact O-N 3.11Å
535	A	96	Very high	93	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.6	-44.4	-179.3	0	0	0	0	0	111.6	M464 Y467 V471 L513 Y531 D532 I537 I538 L539	M464-A535 HydrophobicContact CE-CB 4.48Å; Y467-A535 HydrophobicContact CD2-CB 4.07Å; Y467-A535 HydrophobicContact CG-CB 4.09Å; V471-A535 HydrophobicContact CG2-CB 3.86Å; L513-A535 HydrophobicContact CD1-CB 4.34Å; L513-A535 HydrophobicContact CD2-CB 3.7Å; Y531-A535 WeakPolarHBondContact O-CB 3.32Å; Y531-A535 PolarHBondContact O-N 3.49Å; D532-A535 PolarHBondContact O-N 3.38Å; A535-I537 VanDerWaalsContact C-N 3.31Å; A535-I537 PolarHBondContact O-N 3.35Å; A535-I538 PolarHBondContact O-N 2.95Å; A535-L539 WeakPolarHBondContact O-CB 3.44Å; A535-L539 VanDerWaalsContact O-CG 3.26Å; A535-L539 WeakPolarHBondContact O-CG 3.34Å; A535-L539 PolarHBondContact O-N 2.9Å
536	R	94.9	Very high	92.8	Very high	47 Å²	47	51.7 Å²	51.7	18%	0.177	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-39.2	177.8	-68.1	174.3	-161.6	-83.8	-1.4	112.5	I461 D462 M464 D532 S534 K540	I461-R536 HydrophobicContact CG2-CB 4.39Å; I461-R536 HydrophobicContact CG2-CG 4.39Å; I461-R536 PolarHBondContact O-NH1 2.97Å; D462-R536 PolarHBondContact O-NH1 3.08Å; M464-R536 PolarHBondContact O-NH2 3.03Å; M464-R536 VanDerWaalsContact O-NH2 3.1Å; D532-R536 VanDerWaalsContact CG-NE 3.34Å; D532-R536 WeakPolarHBondContact O-CG 3.32Å; D532-R536 PolarHBondContact O-N 3.45Å; D532-R536 IonicContact OD1-CZ 2.8Å; D532-R536 IonicContact OD1-NE 2.77Å; D532-R536 PolarHBondContact OD1-NE 3.06Å; D532-R536 IonicContact OD1-NH2 3.52Å; D532-R536 PolarHBondContact OD1-NH2 3.49Å; D532-R536 IonicContact OD2-CZ 3.39Å; D532-R536 IonicContact OD2-NE 2.73Å; D532-R536 PolarHBondContact OD2-NE 3.37Å; D532-R536 IonicContact OD2-NH2 3.62Å; D532-R536 PolarHBondContact OD2-NH2 3.26Å; S534-R536 PolarHBondContact O-N 3.3Å; R536-K540 VanDerWaalsContact O-CB 3.26Å; R536-K540 WeakPolarHBondContact O-CB 3.35Å; R536-K540 WeakPolarHBondContact O-CG 3.44Å; R536-K540 PolarHBondContact O-N 3.28Å
537	I	94.4	Very high	92.8	Very high	58 Å²	58	43 Å²	43	30%	0.297	20%	0.203	S	C	.	.	H	α-helix	trans	-64.9	-50.3	177.4	-67.7	165	0	0	0	110.3	F522 R533 S534 A535 L539 K540 D541	F522-I537 HydrophobicContact CE2-CD1 3.48Å; F522-I537 VanDerWaalsContact CE2-CD1 3.48Å; F522-I537 HydrophobicContact CZ-CD1 3.68Å; R533-I537 HydrophobicContact CG-CD1 4.36Å; R533-I537 WeakPolarHBondContact O-CD1 3.25Å; R533-I537 WeakPolarHBondContact O-CG1 3.41Å; R533-I537 PolarHBondContact O-N 2.67Å; S534-I537 PolarHBondContact O-N 3.04Å; A535-I537 VanDerWaalsContact C-N 3.31Å; A535-I537 PolarHBondContact O-N 3.35Å; I537-L539 PolarHBondContact O-N 3.12Å; I537-K540 PolarHBondContact O-N 3.48Å; I537-D541 PolarHBondContact O-N 3.39Å
538	I	95.2	Very high	92.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-45	-178.9	-65.4	170.4	0	0	0	110.9	Y487 L512 L513 H516 S534 A535 D541 Y542 L547	Y487-I538 HydrophobicContact CE1-CG1 4.39Å; Y487-I538 HydrophobicContact CE2-CG1 4.25Å; L512-I538 HydrophobicContact CD2-CD1 4.27Å; L512-I538 HydrophobicContact CG-CD1 4.18Å; L513-I538 HydrophobicContact CD2-CD1 4.05Å; H516-I538 HydrophobicContact CB-CD1 4.24Å; S534-I538 WeakPolarHBondContact O-CG1 3.43Å; S534-I538 PolarHBondContact O-N 2.74Å; S534-I538 VanDerWaalsContact O-N 3.11Å; A535-I538 PolarHBondContact O-N 2.95Å; I538-D541 PolarHBondContact O-N 3.39Å; I538-Y542 PolarHBondContact O-N 3.11Å; I538-L547 HydrophobicContact CG2-CD1 4.23Å
539	L	95	Very high	92.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.9	-37.4	178.6	-68.3	170	0	0	0	112.2	V454 V455 I461 M464 P470 V471 V474 A535 I537 Y542 V543	V454-L539 HydrophobicContact CG1-CD1 4.5Å; V455-L539 HydrophobicContact CG2-CD2 4.24Å; I461-L539 HydrophobicContact CD1-CB 4.23Å; I461-L539 HydrophobicContact CG2-CB 3.98Å; I461-L539 HydrophobicContact CG2-CD1 4.47Å; M464-L539 HydrophobicContact CE-CD1 3.42Å; M464-L539 VanDerWaalsContact CE-CD1 3.42Å; M464-L539 HydrophobicContact SD-CD1 3.66Å; P470-L539 HydrophobicContact CB-CD1 3.91Å; P470-L539 HydrophobicContact CB-CD2 3.84Å; V471-L539 HydrophobicContact CG2-CD1 4.27Å; V471-L539 HydrophobicContact CG2-CD2 4.36Å; V471-L539 HydrophobicContact CG2-CG 4.23Å; V474-L539 HydrophobicContact CG2-CD2 3.99Å; A535-L539 WeakPolarHBondContact O-CB 3.44Å; A535-L539 VanDerWaalsContact O-CG 3.26Å; A535-L539 WeakPolarHBondContact O-CG 3.34Å; A535-L539 PolarHBondContact O-N 2.9Å; I537-L539 PolarHBondContact O-N 3.12Å; L539-Y542 WeakPolarHBondContact O-CB 3.39Å; L539-Y542 PolarHBondContact O-N 2.94Å; L539-V543 PolarHBondContact O-N 3.11Å
540	K	93.7	Very high	92.7	Very high	73 Å²	73	38.1 Å²	38.1	32%	0.317	17%	0.166	S	C	.	.	H	α-helix	trans	-64.3	-39.8	173.1	-78.6	179	-179.6	-172.5	0	111.7	I461 D462 R536 I537 Y542 V543 K544	I461-K540 HydrophobicContact CD1-CG 3.96Å; I461-K540 HydrophobicContact CG2-CG 4.22Å; D462-K540 VanDerWaalsContact CG-NZ 3.28Å; D462-K540 WeakPolarHBondContact OD1-CE 3.06Å; D462-K540 IonicContact OD1-NZ 2.72Å; D462-K540 PolarHBondContact OD1-NZ 3.35Å; D462-K540 IonicContact OD2-NZ 3.53Å; D462-K540 PolarHBondContact OD2-NZ 3.37Å; D462-K540 VanDerWaalsContact OD2-NZ 3.08Å; R536-K540 VanDerWaalsContact O-CB 3.26Å; R536-K540 WeakPolarHBondContact O-CB 3.35Å; R536-K540 WeakPolarHBondContact O-CG 3.44Å; R536-K540 PolarHBondContact O-N 3.28Å; I537-K540 PolarHBondContact O-N 3.48Å; K540-Y542 VanDerWaalsContact C-N 3.32Å; K540-V543 PolarHBondContact O-N 3.43Å; K540-K544 WeakPolarHBondContact O-CB 3.36Å; K540-K544 VanDerWaalsContact O-CG 3.24Å; K540-K544 WeakPolarHBondContact O-CG 3.28Å; K540-K544 PolarHBondContact O-N 3.24Å
541	D	92.9	Very high	92.6	Very high	18 Å²	18	38.2 Å²	38.2	10%	0.096	16%	0.163	C	C	.	.	H	α-helix	trans	-63.8	-38.4	174.6	-77.4	-26.8	0	0	0	111.8	Y487 I537 I538 G545 R546	Y487-D541 PolarHBondContact OH-OD2 2.93Å; I537-D541 PolarHBondContact O-N 3.39Å; I538-D541 PolarHBondContact O-N 3.39Å; D541-G545 PolarHBondContact O-N 3.13Å; D541-R546 HydrophobicContact CB-CB 4.3Å; D541-R546 WeakPolarHBondContact O-CB 3.38Å; D541-R546 PolarHBondContact O-N 2.59Å; D541-R546 WeakPolarHBondContact OD1-CD 3.38Å; D541-R546 IonicContact OD1-CZ 3.69Å; D541-R546 IonicContact OD1-NE 3.52Å; D541-R546 IonicContact OD1-NH1 3.61Å; D541-R546 PolarHBondContact OD1-NH1 3.24Å
542	Y	93.9	Very high	92.5	Very high	11 Å²	11	36 Å²	36	4%	0.043	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-50.2	173.3	-173	-81.6	0	0	0	112.4	V455 V474 I478 I538 L539 K540 K544 G545 L547	V455-Y542 HydrophobicContact CB-CE1 4.49Å; V455-Y542 HydrophobicContact CG1-CD1 3.61Å; V455-Y542 HydrophobicContact CG1-CE1 3.12Å; V455-Y542 HydrophobicContact CG1-CE2 4.46Å; V455-Y542 HydrophobicContact CG1-CG 4.48Å; V474-Y542 HydrophobicContact CG1-CD2 4.03Å; V474-Y542 HydrophobicContact CG1-CE2 4.5Å; V474-Y542 HydrophobicContact CG2-CD2 3.85Å; V474-Y542 HydrophobicContact CG2-CE2 4.15Å; V474-Y542 HydrophobicContact CG2-CG 4.15Å; I478-Y542 HydrophobicContact CD1-CD2 3.86Å; I478-Y542 HydrophobicContact CD1-CE2 3.96Å; I478-Y542 HydrophobicContact CG1-CE2 4.47Å; I538-Y542 PolarHBondContact O-N 3.11Å; L539-Y542 WeakPolarHBondContact O-CB 3.39Å; L539-Y542 PolarHBondContact O-N 2.94Å; K540-Y542 VanDerWaalsContact C-N 3.32Å; Y542-K544 VanDerWaalsContact C-N 3.32Å; Y542-K544 PolarHBondContact O-N 3.11Å; Y542-G545 WeakPolarHBondContact O-CA 3.13Å; Y542-G545 PolarHBondContact O-N 3.44Å; Y542-L547 HydrophobicContact CD2-CB 4Å
543	V	91.6	Very high	92.3	Very high	17 Å²	17	33.7 Å²	33.7	10%	0.103	15%	0.145	C	C	.	.	H	α-helix	trans	-65.3	-35.7	-179.9	171.1	0	0	0	0	112.2	R175 V455 I461 L539 K540 G545	R175-V543 PolarHBondContact NH1-O 3.22Å; V455-V543 WeakPolarHBondContact O-CG2 3.33Å; I461-V543 HydrophobicContact CD1-CB 4.14Å; I461-V543 HydrophobicContact CD1-CG2 3.75Å; L539-V543 PolarHBondContact O-N 3.11Å; K540-V543 PolarHBondContact O-N 3.43Å; V543-G545 PolarHBondContact O-N 2.9Å
544	K	89	Confident	92	Very high	122 Å²	122	29.4 Å²	29.4	53%	0.53	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.3	172.3	-74.6	177.2	-179.6	-176.5	0	113.3	K540 Y542	K540-K544 WeakPolarHBondContact O-CB 3.36Å; K540-K544 VanDerWaalsContact O-CG 3.24Å; K540-K544 WeakPolarHBondContact O-CG 3.28Å; K540-K544 PolarHBondContact O-N 3.24Å; Y542-K544 VanDerWaalsContact C-N 3.32Å; Y542-K544 PolarHBondContact O-N 3.11Å
545	G	88.2	Confident	91.2	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.021	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	25.8	-179.5	0	0	0	0	0	113.9	D541 Y542 V543 G576	D541-G545 PolarHBondContact O-N 3.13Å; Y542-G545 WeakPolarHBondContact O-CA 3.13Å; Y542-G545 PolarHBondContact O-N 3.44Å; V543-G545 PolarHBondContact O-N 2.9Å; G545-G576 WeakPolarHBondContact O-CA 3.45Å
546	R	87.3	Confident	90.2	Very high	101 Å²	101	40.8 Å²	40.8	38%	0.381	20%	0.198	S	C	.	.	S	Bend	trans	-76.4	-37.3	166.7	-73.3	-179.2	173.1	178.5	-5.7	111.5	M486 D541 G576	M486-R546 HydrophobicContact CE-CB 4.46Å; D541-R546 HydrophobicContact CB-CB 4.3Å; D541-R546 WeakPolarHBondContact O-CB 3.38Å; D541-R546 PolarHBondContact O-N 2.59Å; D541-R546 WeakPolarHBondContact OD1-CD 3.38Å; D541-R546 IonicContact OD1-CZ 3.69Å; D541-R546 IonicContact OD1-NE 3.52Å; D541-R546 IonicContact OD1-NH1 3.61Å; D541-R546 PolarHBondContact OD1-NH1 3.24Å; R546-G576 WeakPolarHBondContact O-CA 3.47Å; R546-G576 PolarHBondContact O-N 3.11Å
547	L	90.9	Very high	89.5	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-100.2	115.4	165.1	-69.6	-179.1	0	0	0	105.8	V474 I478 L483 M486 Y487 I538 Y542	V474-L547 HydrophobicContact CG1-CD1 4.47Å; I478-L547 HydrophobicContact CD1-CB 3.51Å; I478-L547 HydrophobicContact CD1-CD1 4.03Å; I478-L547 HydrophobicContact CD1-CD2 4.09Å; I478-L547 HydrophobicContact CD1-CG 4.08Å; L483-L547 HydrophobicContact CD2-CD1 4.02Å; L483-L547 HydrophobicContact CD2-CD2 4.09Å; M486-L547 HydrophobicContact CE-CD2 4.44Å; M486-L547 HydrophobicContact CG-CD2 4.09Å; Y487-L547 HydrophobicContact CE2-CD1 4.11Å; I538-L547 HydrophobicContact CG2-CD1 4.23Å; Y542-L547 HydrophobicContact CD2-CB 4Å
548	L	90.3	Very high	89	Confident	11 Å²	11	42.7 Å²	42.7	6%	0.058	21%	0.212	C	C	.	.			trans	-115.2	129.2	-170.4	-179.8	65.8	0	0	0	111	R175 F207 G574	R175-L548 HydrophobicContact CG-CD1 4.04Å; F207-L548 HydrophobicContact CB-CD1 3.84Å; F207-L548 HydrophobicContact CB-CD2 3.95Å; F207-L548 HydrophobicContact CD1-CD1 4.07Å; F207-L548 HydrophobicContact CD1-CD2 4.18Å; F207-L548 HydrophobicContact CD2-CD1 4.15Å; F207-L548 HydrophobicContact CG-CD1 3.77Å; F207-L548 HydrophobicContact CG-CD2 4.31Å; L548-G574 PolarHBondContact N-O 3.15Å; L548-G574 CarbonylContact O-C 3.3Å; L548-G574 WeakPolarHBondContact O-CA 3.41Å
549	Y	91.2	Very high	88.4	Confident	35 Å²	35	45.2 Å²	45.2	14%	0.137	23%	0.229	C	C	.	.			trans	-138.4	127.1	168	-179.1	-92.6	0	0	0	108.1	R477 Y551 Q563	R477-Y549 HydrophobicContact CB-CD1 4.33Å; R477-Y549 HydrophobicContact CB-CD2 3.78Å; R477-Y549 HydrophobicContact CB-CE2 4.08Å; R477-Y549 HydrophobicContact CB-CG 3.91Å; R477-Y549 HydrophobicContact CG-CD1 4.16Å; R477-Y549 HydrophobicContact CG-CD2 4.33Å; R477-Y549 HydrophobicContact CG-CE1 4.14Å; R477-Y549 HydrophobicContact CG-CE2 4.3Å; R477-Y549 HydrophobicContact CG-CG 4.26Å; Y549-Y551 HydrophobicContact CD1-CD2 4.05Å; Y549-Y551 AromaticContact CD1-CE2 3.83Å; Y549-Y551 HydrophobicContact CD1-CE2 3.83Å; Y549-Y551 HydrophobicContact CE1-CD1 4.05Å; Y549-Y551 AromaticContact CE1-CD2 3.99Å; Y549-Y551 HydrophobicContact CE1-CD2 3.99Å; Y549-Y551 AromaticContact CE1-CE1 3.94Å; Y549-Y551 HydrophobicContact CE1-CE1 3.94Å; Y549-Y551 AromaticContact CE1-CE2 3.89Å; Y549-Y551 HydrophobicContact CE1-CE2 3.89Å; Y549-Y551 HydrophobicContact CE1-CG 4.1Å; Y549-Y551 AromaticContact CE1-CZ 3.87Å; Y549-Q563 HydrophobicContact CD2-CG 4.4Å; Y549-Q563 HydrophobicContact CE2-CG 4.05Å
550	C	91.1	Very high	87.7	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.014	26%	0.262	C	S	.	.			trans	-116.5	125.1	-178.3	-70.5	0	0	0	0	109.7	L208 F562 Q563	L208-C550 HydrophobicContact CD2-CB 3.58Å; L208-C550 VanDerWaalsContact CD2-SG 3.59Å; C550-F562 HydrophobicContact CB-CE1 4.13Å; C550-F562 WeakPolarHBondContact O-CE1 3.43Å; C550-Q563 PolarHBondContact O-NE2 2.97Å
551	Y	91.4	Very high	87.2	Confident	47 Å²	47	52.7 Å²	52.7	18%	0.184	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-72.3	143.5	-179.5	-70.9	-101.6	0	0	0	110.6	R175 Q176 W216 R477 Y549	R175-Y551 WeakPolarHBondContact O-CD2 3.39Å; R175-Y551 PolarHBondContact O-N 3.38Å; Q176-Y551 HydrophobicContact CB-CD2 3.62Å; Q176-Y551 HydrophobicContact CB-CE2 4.07Å; Q176-Y551 HydrophobicContact CB-CG 4.27Å; Q176-Y551 HydrophobicContact CG-CD1 4.48Å; Q176-Y551 HydrophobicContact CG-CD2 3.63Å; Q176-Y551 HydrophobicContact CG-CE2 4.02Å; Q176-Y551 HydrophobicContact CG-CG 3.87Å; W216-Y551 VanDerWaalsContact CZ2-O 3.22Å; W216-Y551 WeakPolarHBondContact CZ2-O 3.48Å; W216-Y551 PolarHBondContact NE1-O 3.48Å; R477-Y551 PolarHBondContact NE-OH 3.21Å; R477-Y551 PolarHBondContact NH1-OH 3.49Å; R477-Y551 PolarHBondContact NH2-OH 3Å; Y549-Y551 HydrophobicContact CD1-CD2 4.05Å; Y549-Y551 AromaticContact CD1-CE2 3.83Å; Y549-Y551 HydrophobicContact CD1-CE2 3.83Å; Y549-Y551 HydrophobicContact CE1-CD1 4.05Å; Y549-Y551 AromaticContact CE1-CD2 3.99Å; Y549-Y551 HydrophobicContact CE1-CD2 3.99Å; Y549-Y551 AromaticContact CE1-CE1 3.94Å; Y549-Y551 HydrophobicContact CE1-CE1 3.94Å; Y549-Y551 AromaticContact CE1-CE2 3.89Å; Y549-Y551 HydrophobicContact CE1-CE2 3.89Å; Y549-Y551 HydrophobicContact CE1-CG 4.1Å; Y549-Y551 AromaticContact CE1-CZ 3.87Å
552	P	91.6	Very high	86.9	Confident	23 Å²	23	51.8 Å²	51.8	15%	0.149	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-73.8	158.1	170.5	31.3	-35.2	0	0	0	111.4	P559 F562	P552-P559 HydrophobicContact CG-CB 4.26Å; P552-P559 HydrophobicContact CG-CG 4.1Å; P552-F562 HydrophobicContact CB-CB 3.89Å; P552-F562 HydrophobicContact CB-CD1 4.08Å; P552-F562 HydrophobicContact CB-CD2 3.89Å; P552-F562 HydrophobicContact CB-CE2 4.43Å; P552-F562 HydrophobicContact CB-CG 3.69Å
553	P	91.6	Very high	86.4	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.006	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-66.3	143.9	164.6	17.9	-14.3	0	0	0	110.2	L215 W216 Y219 T556	L215-P553 HydrophobicContact CB-CG 4.11Å; W216-P553 HydrophobicContact CD2-CB 4.21Å; W216-P553 HydrophobicContact CD2-CG 4.25Å; W216-P553 HydrophobicContact CE3-CB 4.07Å; W216-P553 HydrophobicContact CH2-CB 4.2Å; W216-P553 HydrophobicContact CZ2-CB 4.35Å; W216-P553 HydrophobicContact CZ3-CB 4.06Å; Y219-P553 HydrophobicContact CD1-CB 4.23Å; Y219-P553 HydrophobicContact CD2-CB 4.06Å; Y219-P553 HydrophobicContact CG-CB 3.72Å; P553-T556 HydrophobicContact CB-CG2 4.27Å; P553-T556 HydrophobicContact CG-CG2 4.14Å; P553-T556 WeakPolarHBondContact CG-OG1 3.38Å; P553-T556 PolarHBondContact O-OG1 3.46Å
554	P	86.3	Confident	85.7	Confident	48 Å²	48	55.6 Å²	55.6	31%	0.312	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	146.4	-175.5	26.7	-33.8	0	0	0	111.2	L178 Y219 T556	L178-P554 HydrophobicContact CD1-CG 3.89Å; Y219-P554 HydrophobicContact CD2-CG 4.28Å; Y219-P554 HydrophobicContact CE1-CG 4.37Å; Y219-P554 HydrophobicContact CE2-CG 3.38Å; Y219-P554 VanDerWaalsContact CZ-CG 3.41Å; Y219-P554 VanDerWaalsContact OH-CG 3.24Å; Y219-P554 WeakPolarHBondContact OH-CG 3.26Å; P554-T556 PolarHBondContact O-N 3.41Å
555	N	78.6	Confident	84.9	Confident	175 Å²	175	52.8 Å²	52.8	94%	0.936	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	12.2	176.2	-51.8	-30.5	0	0	0	116.6
556	T	74.7	Confident	83.7	Confident	65 Å²	65	53.6 Å²	53.6	40%	0.399	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-58.4	-177.6	57.6	0	0	0	0	113	P553 P554	P553-T556 HydrophobicContact CB-CG2 4.27Å; P553-T556 HydrophobicContact CG-CG2 4.14Å; P553-T556 WeakPolarHBondContact CG-OG1 3.38Å; P553-T556 PolarHBondContact O-OG1 3.46Å; P554-T556 PolarHBondContact O-N 3.41Å
557	I	80.2	Confident	82.7	Confident	59 Å²	59	50.2 Å²	50.2	30%	0.303	28%	0.278	S	S	.	.	S	Bend	trans	-141.8	147.8	-170.4	-55.7	-172.4	0	0	0	109.1	L215 D561 F562	L215-I557 HydrophobicContact CD1-CD1 3.34Å; L215-I557 HydrophobicContact CD1-CG1 4.41Å; L215-I557 HydrophobicContact CD2-CD1 3.9Å; L215-I557 HydrophobicContact CG-CD1 4.27Å; I557-D561 HydrophobicContact CG2-CB 3.55Å; I557-F562 HydrophobicContact CG2-CB 4.39Å
558	D	83.6	Confident	81.3	Confident	85 Å²	85	54.9 Å²	54.9	46%	0.455	30%	0.304	S	S	.	.			trans	-59.7	139.1	170.7	-172.3	59.5	0	0	0	110.9	L560 D561 F562	D558-L560 PolarHBondContact O-N 3.24Å; D558-L560 VanDerWaalsContact O-N 3.14Å; D558-L560 WeakPolarHBondContact OD2-CB 3.17Å; D558-L560 PolarHBondContact OD2-N 3.49Å; D558-D561 PolarHBondContact O-N 3.49Å; D558-D561 VanDerWaalsContact O-N 3.14Å; D558-F562 PolarHBondContact O-N 2.97Å
559	P	82.4	Confident	80	Confident	54 Å²	54	59 Å²	59	35%	0.351	33%	0.326	S	S	.	.	H	α-helix	trans	-55.5	-34.3	-177.8	-28.2	36.4	0	0	0	114.2	P552 F562 Q563	P552-P559 HydrophobicContact CG-CB 4.26Å; P552-P559 HydrophobicContact CG-CG 4.1Å; P559-F562 PolarHBondContact O-N 2.71Å; P559-Q563 WeakPolarHBondContact O-CG 3.49Å; P559-Q563 PolarHBondContact O-N 3.37Å; P559-Q563 VanDerWaalsContact O-N 3.13Å
560	L	81.9	Confident	78.8	Confident	136 Å²	136	60.3 Å²	60.3	71%	0.712	35%	0.35	S	S	*	.	H	α-helix	trans	-66.8	-44.8	179.1	-70.6	161.2	0	0	0	111.5	D558 F562 Q563 S564	D558-L560 PolarHBondContact O-N 3.24Å; D558-L560 VanDerWaalsContact O-N 3.14Å; D558-L560 WeakPolarHBondContact OD2-CB 3.17Å; D558-L560 PolarHBondContact OD2-N 3.49Å; L560-F562 VanDerWaalsContact C-N 3.33Å; L560-F562 PolarHBondContact O-N 2.73Å; L560-Q563 PolarHBondContact O-N 2.95Å; L560-S564 PolarHBondContact O-N 3.3Å
561	D	83.4	Confident	77.8	Confident	93 Å²	93	60.9 Å²	60.9	50%	0.497	35%	0.352	S	S	.	.	H	α-helix	trans	-64.5	-40.6	178	-72.5	-16.8	0	0	0	110.9	I557 D558 Q563 S564 L565	I557-D561 HydrophobicContact CG2-CB 3.55Å; D558-D561 PolarHBondContact O-N 3.49Å; D558-D561 VanDerWaalsContact O-N 3.14Å; D561-Q563 VanDerWaalsContact C-N 3.3Å; D561-Q563 PolarHBondContact O-N 3.41Å; D561-S564 WeakPolarHBondContact CA-OG 3.46Å; D561-S564 WeakPolarHBondContact O-CB 3.4Å; D561-S564 PolarHBondContact O-N 2.9Å; D561-S564 PolarHBondContact O-OG 3.49Å; D561-L565 PolarHBondContact O-N 3.25Å
562	F	85.3	Confident	76.7	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-61.4	-37.6	175.8	-172.6	-94.5	0	0	0	112.6	Q212 L215 W216 C550 P552 I557 D558 P559 L560 L565	Q212-F562 HydrophobicContact CB-CE1 4.46Å; Q212-F562 HydrophobicContact CB-CE2 3.93Å; Q212-F562 HydrophobicContact CB-CZ 3.67Å; Q212-F562 HydrophobicContact CG-CD2 4.28Å; Q212-F562 HydrophobicContact CG-CE1 3.97Å; Q212-F562 HydrophobicContact CG-CE2 3.71Å; Q212-F562 HydrophobicContact CG-CZ 3.54Å; Q212-F562 PolarHBondContact NE2-O 2.89Å; L215-F562 HydrophobicContact CD1-CD2 3.96Å; L215-F562 HydrophobicContact CD1-CE2 3.9Å; W216-F562 AromaticContact NE1-CZ 3.72Å; C550-F562 HydrophobicContact CB-CE1 4.13Å; C550-F562 WeakPolarHBondContact O-CE1 3.43Å; P552-F562 HydrophobicContact CB-CB 3.89Å; P552-F562 HydrophobicContact CB-CD1 4.08Å; P552-F562 HydrophobicContact CB-CD2 3.89Å; P552-F562 HydrophobicContact CB-CE2 4.43Å; P552-F562 HydrophobicContact CB-CG 3.69Å; I557-F562 HydrophobicContact CG2-CB 4.39Å; D558-F562 PolarHBondContact O-N 2.97Å; P559-F562 PolarHBondContact O-N 2.71Å; L560-F562 VanDerWaalsContact C-N 3.33Å; L560-F562 PolarHBondContact O-N 2.73Å; F562-L565 HydrophobicContact CD2-CD1 4.4Å
563	Q	83	Confident	75.6	Confident	29 Å²	29	61.2 Å²	61.2	14%	0.136	36%	0.361	C	S	.	.	H	α-helix	trans	-71	-33.5	172.6	-60.7	-44	-30.3	0	0	112.5	Y549 C550 P559 L560 D561 L565 G566 C573	Y549-Q563 HydrophobicContact CD2-CG 4.4Å; Y549-Q563 HydrophobicContact CE2-CG 4.05Å; C550-Q563 PolarHBondContact O-NE2 2.97Å; P559-Q563 WeakPolarHBondContact O-CG 3.49Å; P559-Q563 PolarHBondContact O-N 3.37Å; P559-Q563 VanDerWaalsContact O-N 3.13Å; L560-Q563 PolarHBondContact O-N 2.95Å; D561-Q563 VanDerWaalsContact C-N 3.3Å; D561-Q563 PolarHBondContact O-N 3.41Å; Q563-L565 PolarHBondContact O-N 3.3Å; Q563-G566 PolarHBondContact O-N 3Å; Q563-G566 VanDerWaalsContact O-N 3.13Å; Q563-C573 HydrophobicContact CB-CB 4.22Å; Q563-C573 VanDerWaalsContact O-CB 3.32Å; Q563-C573 WeakPolarHBondContact O-CB 3.27Å
564	S	77.1	Confident	74.6	Confident	79 Å²	79	61.7 Å²	61.7	55%	0.552	37%	0.366	S	S	*	.	H	α-helix	trans	-66.5	-22.3	-179.2	82.3	0	0	0	0	113.3	L560 D561 G566	L560-S564 PolarHBondContact O-N 3.3Å; D561-S564 WeakPolarHBondContact CA-OG 3.46Å; D561-S564 WeakPolarHBondContact O-CB 3.4Å; D561-S564 PolarHBondContact O-N 2.9Å; D561-S564 PolarHBondContact O-OG 3.49Å; S564-G566 PolarHBondContact O-N 3.4Å
565	L	73.1	Confident	74.1	Confident	62 Å²	62	59.4 Å²	59.4	33%	0.325	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-10	171.1	-65.3	174	0	0	0	113	K211 Q212 L215 D561 F562 Q563	K211-L565 HydrophobicContact CD-CD2 4.36Å; Q212-L565 HydrophobicContact CG-CB 4.31Å; Q212-L565 HydrophobicContact CG-CD1 4.09Å; L215-L565 HydrophobicContact CD1-CD1 4.05Å; D561-L565 PolarHBondContact O-N 3.25Å; F562-L565 HydrophobicContact CD2-CD1 4.4Å; Q563-L565 PolarHBondContact O-N 3.3Å
566	G	62.1	Low	73.8	Confident	20 Å²	20	51 Å²	51	21%	0.206	31%	0.306	C	S	.	.			trans	77.2	-161	161.9	0	0	0	0	0	113.3	T209 Q563 S564	T209-G566 WeakPolarHBondContact CG2-O 3.38Å; Q563-G566 PolarHBondContact O-N 3Å; Q563-G566 VanDerWaalsContact O-N 3.13Å; S564-G566 PolarHBondContact O-N 3.4Å
567	R	66.5	Low	73.5	Confident	29 Å²	29	52.8 Å²	52.8	11%	0.109	31%	0.306	C	S	.	.			trans	-118.1	144.1	166.2	-69.4	-175.3	61.1	98.1	10.7	108.5	D569 G570 V575	R567-D569 IonicContact CZ-OD2 2.7Å; R567-D569 IonicContact NE-OD2 3.11Å; R567-D569 PolarHBondContact NE-OD2 3.35Å; R567-D569 IonicContact NH2-OD2 3.73Å; R567-D569 PolarHBondContact NH2-OD2 2.95Å; R567-D569 PolarHBondContact O-N 2.9Å; R567-D569 VanDerWaalsContact O-N 3.08Å; R567-G570 PolarHBondContact O-N 3.18Å; R567-G570 VanDerWaalsContact O-N 3.1Å; R567-V575 WeakPolarHBondContact CD-O 3.39Å
568	D	61.7	Low	72.9	Confident	100 Å²	100	51.4 Å²	51.4	54%	0.535	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.4	176.8	-64.2	-30.7	0	0	0	111.5	T209 N210 G570	T209-D568 WeakPolarHBondContact CA-OD2 3.36Å; T209-D568 WeakPolarHBondContact CB-OD1 3.4Å; N210-D568 PolarHBondContact N-OD2 3.32Å; N210-D568 VanDerWaalsContact N-OD2 3.15Å; D568-G570 VanDerWaalsContact C-N 3.32Å; D568-G570 PolarHBondContact O-N 3.3Å
569	D	64	Low	72	Confident	98 Å²	98	51.4 Å²	51.4	52%	0.524	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	0.3	179.4	-45.8	-39.8	0	0	0	114.6	R567 L571	R567-D569 IonicContact CZ-OD2 2.7Å; R567-D569 IonicContact NE-OD2 3.11Å; R567-D569 PolarHBondContact NE-OD2 3.35Å; R567-D569 IonicContact NH2-OD2 3.73Å; R567-D569 PolarHBondContact NH2-OD2 2.95Å; R567-D569 PolarHBondContact O-N 2.9Å; R567-D569 VanDerWaalsContact O-N 3.08Å; D569-L571 HydrophobicContact CB-CD1 4.18Å; D569-L571 PolarHBondContact O-N 2.61Å
570	G	65.4	Low	71.6	Confident	62 Å²	62	52 Å²	52	64%	0.639	30%	0.303	S	S	*	.	S	Bend	trans	75.9	0.2	-177.7	0	0	0	0	0	115.5	R567 D568	R567-G570 PolarHBondContact O-N 3.18Å; R567-G570 VanDerWaalsContact O-N 3.1Å; D568-G570 VanDerWaalsContact C-N 3.32Å; D568-G570 PolarHBondContact O-N 3.3Å
571	L	70.7	Confident	71.3	Confident	13 Å²	13	53 Å²	53	7%	0.068	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-69	143.1	170.8	-80.3	145.4	0	0	0	110.6	D569 V575 F578 F587 L588	D569-L571 HydrophobicContact CB-CD1 4.18Å; D569-L571 PolarHBondContact O-N 2.61Å; L571-V575 HydrophobicContact CD2-CB 4.35Å; L571-V575 HydrophobicContact CD2-CG1 3.77Å; L571-F578 HydrophobicContact CD1-CD2 4.46Å; L571-F578 HydrophobicContact CD2-CD2 4.17Å; L571-F578 HydrophobicContact CD2-CE2 3.78Å; L571-F587 HydrophobicContact CD2-CD1 4.19Å; L571-L588 HydrophobicContact CD2-CD2 4.4Å
572	P	67.3	Low	71.2	Confident	35 Å²	35	50.3 Å²	50.3	23%	0.227	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-65.9	158.1	179.2	28.9	-34.8	0	0	0	111.1	V575 F587 L591	P572-V575 HydrophobicContact CG-CB 4.45Å; P572-V575 HydrophobicContact CG-CG2 3.81Å; P572-V575 PolarHBondContact O-N 2.93Å; P572-F587 HydrophobicContact CG-CE1 4.01Å; P572-L591 HydrophobicContact CG-CD1 3.83Å
573	C	68.1	Low	71	Confident	43 Å²	43	53.8 Å²	53.8	29%	0.291	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	146.9	171.2	56.1	0	0	0	0	110.6	I482 Q563 V575	I482-C573 WeakPolarHBondContact CD1-O 3.49Å; Q563-C573 HydrophobicContact CB-CB 4.22Å; Q563-C573 VanDerWaalsContact O-CB 3.32Å; Q563-C573 WeakPolarHBondContact O-CB 3.27Å; C573-V575 VanDerWaalsContact C-N 3.27Å; C573-V575 PolarHBondContact O-N 2.89Å
574	G	70.8	Confident	70.7	Confident	10 Å²	10	53.1 Å²	53.1	10%	0.103	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-18	-179.2	0	0	0	0	0	116	L548	L548-G574 PolarHBondContact N-O 3.15Å; L548-G574 CarbonylContact O-C 3.3Å; L548-G574 WeakPolarHBondContact O-CA 3.41Å
575	V	76.4	Confident	70.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-96.4	127	178.8	-174.1	0	0	0	0	110.1	I482 M486 R567 L571 P572 C573 F578 F587	I482-V575 HydrophobicContact CG2-CG2 3.53Å; M486-V575 HydrophobicContact SD-CG1 4.03Å; M486-V575 HydrophobicContact SD-CG2 4.49Å; R567-V575 WeakPolarHBondContact CD-O 3.39Å; L571-V575 HydrophobicContact CD2-CB 4.35Å; L571-V575 HydrophobicContact CD2-CG1 3.77Å; P572-V575 HydrophobicContact CG-CB 4.45Å; P572-V575 HydrophobicContact CG-CG2 3.81Å; P572-V575 PolarHBondContact O-N 2.93Å; C573-V575 VanDerWaalsContact C-N 3.27Å; C573-V575 PolarHBondContact O-N 2.89Å; V575-F578 HydrophobicContact CG1-CD2 4.45Å; V575-F578 HydrophobicContact CG1-CE2 3.48Å; V575-F578 VanDerWaalsContact CG1-CE2 3.48Å; V575-F578 HydrophobicContact CG1-CZ 3.89Å; V575-F587 HydrophobicContact CB-CE1 4.43Å; V575-F587 HydrophobicContact CG1-CD1 4.45Å; V575-F587 HydrophobicContact CG1-CE1 4.17Å; V575-F587 HydrophobicContact CG1-CZ 4.4Å; V575-F587 HydrophobicContact CG2-CE1 3.62Å; V575-F587 HydrophobicContact CG2-CE2 4.41Å; V575-F587 HydrophobicContact CG2-CZ 3.48Å; V575-F587 VanDerWaalsContact CG2-CZ 3.48Å
576	G	72.9	Confident	71.4	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.322	C	S	.	.			trans	-82.5	-171.7	179.1	0	0	0	0	0	114.9	G545 R546	G545-G576 WeakPolarHBondContact O-CA 3.45Å; R546-G576 WeakPolarHBondContact O-CA 3.47Å; R546-G576 PolarHBondContact O-N 3.11Å
577	Y	67.2	Low	72.3	Confident	101 Å²	101	59.2 Å²	59.2	40%	0.396	31%	0.313	S	S	.	.			trans	-68.8	133.1	174.2	-177.7	-108.5	0	0	0	110.8
578	F	67.5	Low	73.1	Confident	31 Å²	31	61.1 Å²	61.1	14%	0.136	33%	0.325	C	S	.	.			trans	-93.8	131.3	166	-69.5	-84.1	0	0	0	108.7	M486 L571 V575 D580 K583 A584 F587	M486-F578 HydrophobicContact CE-CE1 4.12Å; M486-F578 HydrophobicContact CE-CZ 4Å; M486-F578 HydrophobicContact SD-CE1 4.29Å; M486-F578 HydrophobicContact SD-CZ 3.69Å; L571-F578 HydrophobicContact CD1-CD2 4.46Å; L571-F578 HydrophobicContact CD2-CD2 4.17Å; L571-F578 HydrophobicContact CD2-CE2 3.78Å; V575-F578 HydrophobicContact CG1-CD2 4.45Å; V575-F578 HydrophobicContact CG1-CE2 3.48Å; V575-F578 VanDerWaalsContact CG1-CE2 3.48Å; V575-F578 HydrophobicContact CG1-CZ 3.89Å; F578-D580 PolarHBondContact O-N 2.98Å; F578-D580 VanDerWaalsContact O-N 3.09Å; F578-K583 HydrophobicContact CB-CB 4.41Å; F578-K583 HydrophobicContact CD1-CB 3.92Å; F578-K583 HydrophobicContact CG-CB 4.37Å; F578-A584 HydrophobicContact CB-CB 4.13Å; F578-A584 HydrophobicContact CD2-CB 3.55Å; F578-A584 HydrophobicContact CE2-CB 4.24Å; F578-A584 HydrophobicContact CG-CB 4.06Å; F578-F587 HydrophobicContact CE2-CB 4.17Å; F578-F587 HydrophobicContact CE2-CD1 4.36Å; F578-F587 HydrophobicContact CE2-CG 4.22Å; F578-F587 HydrophobicContact CZ-CB 3.84Å; F578-F587 HydrophobicContact CZ-CD1 4.42Å; F578-F587 HydrophobicContact CZ-CD2 4.15Å; F578-F587 AromaticContact CZ-CG 3.87Å; F578-F587 HydrophobicContact CZ-CG 3.87Å
579	P	65.2	Low	74.2	Confident	85 Å²	85	62.8 Å²	62.8	55%	0.552	33%	0.327	S	S	*	.	S	Bend	trans	-64.2	-16.1	177.4	25.8	-34	0	0	0	113.5
580	D	74.2	Confident	75.1	Confident	67 Å²	67	63.1 Å²	63.1	36%	0.358	32%	0.321	S	S	.	.	S	Bend	trans	-132.4	124.2	-179	173.9	7.7	0	0	0	108.3	F578 S582 K583 A584	F578-D580 PolarHBondContact O-N 2.98Å; F578-D580 VanDerWaalsContact O-N 3.09Å; D580-S582 PolarHBondContact O-N 3.16Å; D580-S582 WeakPolarHBondContact OD1-CB 3.13Å; D580-S582 PolarHBondContact OD1-N 2.88Å; D580-S582 PolarHBondContact OD1-OG 3.5Å; D580-S582 PolarHBondContact OD2-OG 3.23Å; D580-K583 HydrophobicContact CB-CD 4.12Å; D580-K583 HydrophobicContact CB-CG 4.18Å; D580-K583 WeakPolarHBondContact O-CB 3.35Å; D580-K583 PolarHBondContact O-N 3.38Å; D580-A584 PolarHBondContact O-N 2.97Å
581	Q	76.1	Confident	75.9	Confident	157 Å²	157	61 Å²	61	73%	0.734	30%	0.295	S	S	*	.	H	α-helix	trans	-58.3	-33.5	-179.8	-67.2	-178.7	-6.2	0	0	111.5	K583 A584 E585	Q581-K583 PolarHBondContact O-N 3.44Å; Q581-A584 WeakPolarHBondContact O-CB 3.49Å; Q581-A584 PolarHBondContact O-N 3.34Å; Q581-E585 PolarHBondContact O-N 2.91Å
582	S	81	Confident	76.5	Confident	35 Å²	35	63.5 Å²	63.5	25%	0.245	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-31.5	178.6	85.1	0	0	0	0	112.4	D580 R586	D580-S582 PolarHBondContact O-N 3.16Å; D580-S582 WeakPolarHBondContact OD1-CB 3.13Å; D580-S582 PolarHBondContact OD1-N 2.88Å; D580-S582 PolarHBondContact OD1-OG 3.5Å; D580-S582 PolarHBondContact OD2-OG 3.23Å; S582-R586 WeakPolarHBondContact O-CB 3.37Å; S582-R586 WeakPolarHBondContact O-CG 3.45Å; S582-R586 PolarHBondContact O-N 2.98Å; S582-R586 VanDerWaalsContact O-N 3.09Å
583	K	80.6	Confident	77.3	Confident	74 Å²	74	65.3 Å²	65.3	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-73.6	-36.8	177.4	-65.5	178	-174.4	168.2	0	110.9	F578 D580 Q581 F587	F578-K583 HydrophobicContact CB-CB 4.41Å; F578-K583 HydrophobicContact CD1-CB 3.92Å; F578-K583 HydrophobicContact CG-CB 4.37Å; D580-K583 HydrophobicContact CB-CD 4.12Å; D580-K583 HydrophobicContact CB-CG 4.18Å; D580-K583 WeakPolarHBondContact O-CB 3.35Å; D580-K583 PolarHBondContact O-N 3.38Å; Q581-K583 PolarHBondContact O-N 3.44Å; K583-F587 WeakPolarHBondContact O-CB 3.4Å; K583-F587 PolarHBondContact O-N 2.9Å
584	A	76.9	Confident	77.8	Confident	14 Å²	14	66 Å²	66	12%	0.116	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-47.3	174.8	0	0	0	0	0	111.3	F578 D580 Q581 R586 F587 L588	F578-A584 HydrophobicContact CB-CB 4.13Å; F578-A584 HydrophobicContact CD2-CB 3.55Å; F578-A584 HydrophobicContact CE2-CB 4.24Å; F578-A584 HydrophobicContact CG-CB 4.06Å; D580-A584 PolarHBondContact O-N 2.97Å; Q581-A584 WeakPolarHBondContact O-CB 3.49Å; Q581-A584 PolarHBondContact O-N 3.34Å; A584-R586 PolarHBondContact O-N 2.94Å; A584-F587 WeakPolarHBondContact O-CA 3.45Å; A584-F587 WeakPolarHBondContact O-CB 3.4Å; A584-F587 PolarHBondContact O-N 2.89Å; A584-F587 VanDerWaalsContact O-N 3.07Å; A584-L588 PolarHBondContact O-N 3.09Å
585	E	80.9	Confident	78.3	Confident	131 Å²	131	71 Å²	71	61%	0.612	33%	0.333	S	S	*	.	H	α-helix	trans	-61.1	-44.5	176.8	-68.9	177.6	175	0	0	112.1	Q581 F587 L588 K589	Q581-E585 PolarHBondContact O-N 2.91Å; E585-F587 PolarHBondContact O-N 3.35Å; E585-L588 PolarHBondContact O-N 3.39Å; E585-K589 WeakPolarHBondContact O-CB 3.13Å; E585-K589 PolarHBondContact O-N 2.98Å
586	R	83.4	Confident	78.4	Confident	156 Å²	156	76.4 Å²	76.4	59%	0.589	36%	0.356	S	S	*	.	H	α-helix	trans	-62.3	-30.4	175	-74.5	173.2	-172.2	175.3	6	112.6	S582 A584 R590	S582-R586 WeakPolarHBondContact O-CB 3.37Å; S582-R586 WeakPolarHBondContact O-CG 3.45Å; S582-R586 PolarHBondContact O-N 2.98Å; S582-R586 VanDerWaalsContact O-N 3.09Å; A584-R586 PolarHBondContact O-N 2.94Å; R586-R590 WeakPolarHBondContact O-CG 3.21Å; R586-R590 PolarHBondContact O-N 2.81Å; R586-R590 PolarHBondContact O-NE 3.34Å; R586-R590 VanDerWaalsContact O-NE 3.14Å
587	F	81.8	Confident	78.6	Confident	2 Å²	2	83.7 Å²	83.7	1%	0.009	38%	0.384	C	S	.	.	H	α-helix	trans	-72	-50.3	175.3	172.2	-90.6	0	0	0	110.6	T485 M486 L571 P572 V575 F578 K583 A584 E585 K589 R590 L591	T485-F587 HydrophobicContact CG2-CD2 3.8Å; T485-F587 HydrophobicContact CG2-CE2 3.44Å; T485-F587 VanDerWaalsContact CG2-CE2 3.44Å; T485-F587 HydrophobicContact CG2-CZ 3.98Å; M486-F587 HydrophobicContact CB-CE2 4.37Å; M486-F587 HydrophobicContact CG-CD2 4.35Å; M486-F587 HydrophobicContact CG-CE2 3.62Å; M486-F587 HydrophobicContact CG-CZ 4.28Å; M486-F587 HydrophobicContact SD-CD2 3.56Å; M486-F587 VanDerWaalsContact SD-CD2 3.56Å; M486-F587 HydrophobicContact SD-CE2 3.32Å; M486-F587 WeakPolarHBondContact SD-CE2 3.43Å; M486-F587 HydrophobicContact SD-CG 4.42Å; M486-F587 HydrophobicContact SD-CZ 4.03Å; L571-F587 HydrophobicContact CD2-CD1 4.19Å; P572-F587 HydrophobicContact CG-CE1 4.01Å; V575-F587 HydrophobicContact CB-CE1 4.43Å; V575-F587 HydrophobicContact CG1-CD1 4.45Å; V575-F587 HydrophobicContact CG1-CE1 4.17Å; V575-F587 HydrophobicContact CG1-CZ 4.4Å; V575-F587 HydrophobicContact CG2-CE1 3.62Å; V575-F587 HydrophobicContact CG2-CE2 4.41Å; V575-F587 HydrophobicContact CG2-CZ 3.48Å; V575-F587 VanDerWaalsContact CG2-CZ 3.48Å; F578-F587 HydrophobicContact CE2-CB 4.17Å; F578-F587 HydrophobicContact CE2-CD1 4.36Å; F578-F587 HydrophobicContact CE2-CG 4.22Å; F578-F587 HydrophobicContact CZ-CB 3.84Å; F578-F587 HydrophobicContact CZ-CD1 4.42Å; F578-F587 HydrophobicContact CZ-CD2 4.15Å; F578-F587 AromaticContact CZ-CG 3.87Å; F578-F587 HydrophobicContact CZ-CG 3.87Å; K583-F587 WeakPolarHBondContact O-CB 3.4Å; K583-F587 PolarHBondContact O-N 2.9Å; A584-F587 WeakPolarHBondContact O-CA 3.45Å; A584-F587 WeakPolarHBondContact O-CB 3.4Å; A584-F587 PolarHBondContact O-N 2.89Å; A584-F587 VanDerWaalsContact O-N 3.07Å; E585-F587 PolarHBondContact O-N 3.35Å; F587-K589 VanDerWaalsContact C-N 3.29Å; F587-K589 PolarHBondContact O-N 2.85Å; F587-R590 WeakPolarHBondContact O-CB 3.39Å; F587-R590 PolarHBondContact O-N 3.22Å; F587-R590 VanDerWaalsContact O-N 3.09Å; F587-L591 HydrophobicContact CE1-CD1 3.71Å; F587-L591 HydrophobicContact CZ-CD1 3.83Å; F587-L591 PolarHBondContact O-N 3.15Å
588	L	82.3	Confident	78.8	Confident	69 Å²	69	81.7 Å²	81.7	36%	0.361	39%	0.388	S	S	.	.	H	α-helix	trans	-57.4	-43	177.4	-70.6	173.4	0	0	0	111.5	L571 A584 E585 R590 L591 D592	L571-L588 HydrophobicContact CD2-CD2 4.4Å; A584-L588 PolarHBondContact O-N 3.09Å; E585-L588 PolarHBondContact O-N 3.39Å; L588-R590 PolarHBondContact O-N 3.47Å; L588-L591 WeakPolarHBondContact O-CB 3.41Å; L588-L591 PolarHBondContact O-N 2.89Å; L588-D592 PolarHBondContact O-N 3.13Å
589	K	84.8	Confident	78.9	Confident	135 Å²	135	83.3 Å²	83.3	59%	0.587	40%	0.403	S	S	*	.	H	α-helix	trans	-59.6	-45.1	174.8	-174.2	176.6	179.8	176.8	0	112.5	E585 F587 L591 D592 E593	E585-K589 WeakPolarHBondContact O-CB 3.13Å; E585-K589 PolarHBondContact O-N 2.98Å; F587-K589 VanDerWaalsContact C-N 3.29Å; F587-K589 PolarHBondContact O-N 2.85Å; K589-L591 VanDerWaalsContact C-N 3.28Å; K589-L591 PolarHBondContact O-N 3.28Å; K589-D592 PolarHBondContact O-N 3.42Å; K589-E593 WeakPolarHBondContact CE-OE1 3.33Å; K589-E593 WeakPolarHBondContact O-CB 3.37Å; K589-E593 VanDerWaalsContact O-CG 3.27Å; K589-E593 WeakPolarHBondContact O-CG 3.19Å; K589-E593 PolarHBondContact O-N 3.1Å
590	R	83.5	Confident	78.8	Confident	106 Å²	106	82.1 Å²	82.1	40%	0.4	40%	0.397	S	S	.	.	H	α-helix	trans	-63.7	-35.5	176.6	-83.3	-177.5	-93.6	160	-14.4	112.3	T485 R586 F587 L588 K594	T485-R590 HydrophobicContact CG2-CB 3.97Å; T485-R590 PolarHBondContact O-NH1 3.28Å; R586-R590 WeakPolarHBondContact O-CG 3.21Å; R586-R590 PolarHBondContact O-N 2.81Å; R586-R590 PolarHBondContact O-NE 3.34Å; R586-R590 VanDerWaalsContact O-NE 3.14Å; F587-R590 WeakPolarHBondContact O-CB 3.39Å; F587-R590 PolarHBondContact O-N 3.22Å; F587-R590 VanDerWaalsContact O-N 3.09Å; L588-R590 PolarHBondContact O-N 3.47Å; R590-K594 WeakPolarHBondContact O-CB 3.4Å; R590-K594 WeakPolarHBondContact O-CG 3.35Å; R590-K594 PolarHBondContact O-N 3.38Å
591	L	82.2	Confident	77.9	Confident	18 Å²	18	83.2 Å²	83.2	9%	0.094	40%	0.4	C	S	.	.	H	α-helix	trans	-68.6	-49.2	178.5	-163.9	152.3	0	0	0	110.8	T485 P572 F587 L588 K589 E593 K594 Q595	T485-L591 HydrophobicContact CG2-CB 4.08Å; P572-L591 HydrophobicContact CG-CD1 3.83Å; F587-L591 HydrophobicContact CE1-CD1 3.71Å; F587-L591 HydrophobicContact CZ-CD1 3.83Å; F587-L591 PolarHBondContact O-N 3.15Å; L588-L591 WeakPolarHBondContact O-CB 3.41Å; L588-L591 PolarHBondContact O-N 2.89Å; K589-L591 VanDerWaalsContact C-N 3.28Å; K589-L591 PolarHBondContact O-N 3.28Å; L591-E593 PolarHBondContact O-N 3.07Å; L591-K594 WeakPolarHBondContact O-CB 3.46Å; L591-K594 PolarHBondContact O-N 2.9Å; L591-K594 VanDerWaalsContact O-N 3.13Å; L591-Q595 VanDerWaalsContact CD2-CD 3.45Å; L591-Q595 HydrophobicContact CD2-CG 4Å; L591-Q595 WeakPolarHBondContact O-CG 3.48Å; L591-Q595 PolarHBondContact O-N 3.39Å
592	D	83.4	Confident	76.8	Confident	65 Å²	65	79.5 Å²	79.5	35%	0.348	39%	0.391	S	S	.	.	H	α-helix	trans	-61.1	-43.4	176.3	-178	27.3	0	0	0	111.4	L588 K589 K594 Q595 K596	L588-D592 PolarHBondContact O-N 3.13Å; K589-D592 PolarHBondContact O-N 3.42Å; D592-K594 VanDerWaalsContact C-N 3.3Å; D592-K594 PolarHBondContact O-N 3.26Å; D592-Q595 PolarHBondContact O-N 2.77Å; D592-K596 WeakPolarHBondContact O-CB 3.43Å; D592-K596 WeakPolarHBondContact O-CG 3.05Å; D592-K596 PolarHBondContact O-N 3.11Å; D592-K596 WeakPolarHBondContact OD1-CE 3.36Å; D592-K596 IonicContact OD1-NZ 3.65Å; D592-K596 PolarHBondContact OD1-NZ 3.12Å; D592-K596 WeakPolarHBondContact OD2-CE 3.43Å; D592-K596 IonicContact OD2-NZ 3.78Å; D592-K596 PolarHBondContact OD2-NZ 2.8Å
593	E	84	Confident	75.4	Confident	72 Å²	72	83.6 Å²	83.6	34%	0.336	41%	0.409	S	S	.	.	H	α-helix	trans	-58.8	-39.2	173.1	-76.7	175.6	-165.4	0	0	112.7	K589 L591 R597	K589-E593 WeakPolarHBondContact CE-OE1 3.33Å; K589-E593 WeakPolarHBondContact O-CB 3.37Å; K589-E593 VanDerWaalsContact O-CG 3.27Å; K589-E593 WeakPolarHBondContact O-CG 3.19Å; K589-E593 PolarHBondContact O-N 3.1Å; L591-E593 PolarHBondContact O-N 3.07Å; E593-R597 WeakPolarHBondContact O-CB 3.35Å; E593-R597 VanDerWaalsContact O-CG 3.23Å; E593-R597 WeakPolarHBondContact O-CG 3.14Å; E593-R597 PolarHBondContact O-N 3.39Å
594	K	79.6	Confident	73.8	Confident	57 Å²	57	83.6 Å²	83.6	25%	0.248	41%	0.412	C	S	.	.	H	α-helix	trans	-70.5	-41.3	176	-82.2	-174.3	177.8	-171.8	0	112.3	E484 T485 R590 L591 D592 R597 A598	E484-K594 VanDerWaalsContact CB-NZ 3.34Å; E484-K594 PolarHBondContact O-NZ 3.45Å; T485-K594 PolarHBondContact OG1-NZ 3.01Å; R590-K594 WeakPolarHBondContact O-CB 3.4Å; R590-K594 WeakPolarHBondContact O-CG 3.35Å; R590-K594 PolarHBondContact O-N 3.38Å; L591-K594 WeakPolarHBondContact O-CB 3.46Å; L591-K594 PolarHBondContact O-N 2.9Å; L591-K594 VanDerWaalsContact O-N 3.13Å; D592-K594 VanDerWaalsContact C-N 3.3Å; D592-K594 PolarHBondContact O-N 3.26Å; K594-R597 PolarHBondContact O-N 2.74Å; K594-A598 WeakPolarHBondContact O-CB 3.5Å; K594-A598 PolarHBondContact O-N 3.47Å
595	Q	79.4	Confident	72.6	Confident	116 Å²	116	90 Å²	90	54%	0.542	44%	0.44	S	S	.	.	H	α-helix	trans	-62.5	-44.5	175.6	-75	-179.3	-21.3	0	0	111	L591 D592 R597 A598 S599	L591-Q595 VanDerWaalsContact CD2-CD 3.45Å; L591-Q595 HydrophobicContact CD2-CG 4Å; L591-Q595 WeakPolarHBondContact O-CG 3.48Å; L591-Q595 PolarHBondContact O-N 3.39Å; D592-Q595 PolarHBondContact O-N 2.77Å; Q595-R597 PolarHBondContact O-N 3.27Å; Q595-A598 PolarHBondContact O-N 3.09Å; Q595-S599 PolarHBondContact O-N 3.45Å
596	K	80.1	Confident	71.4	Confident	113 Å²	113	89.3 Å²	89.3	49%	0.491	44%	0.444	S	S	.	.	H	α-helix	trans	-57.5	-49.3	172.7	-75.4	168.7	176.1	161.4	0	111.4	D592 A598 S599 S600	D592-K596 WeakPolarHBondContact O-CB 3.43Å; D592-K596 WeakPolarHBondContact O-CG 3.05Å; D592-K596 PolarHBondContact O-N 3.11Å; D592-K596 WeakPolarHBondContact OD1-CE 3.36Å; D592-K596 IonicContact OD1-NZ 3.65Å; D592-K596 PolarHBondContact OD1-NZ 3.12Å; D592-K596 WeakPolarHBondContact OD2-CE 3.43Å; D592-K596 IonicContact OD2-NZ 3.78Å; D592-K596 PolarHBondContact OD2-NZ 2.8Å; K596-A598 VanDerWaalsContact C-N 3.33Å; K596-A598 PolarHBondContact O-N 3.49Å; K596-S599 PolarHBondContact O-N 3.24Å; K596-S599 PolarHBondContact O-OG 2.9Å; K596-S600 PolarHBondContact O-N 3.5Å; K596-S600 PolarHBondContact O-OG 3.37Å; K596-S600 VanDerWaalsContact O-OG 3.08Å
597	R	76.4	Confident	70.2	Confident	154 Å²	154	85.6 Å²	85.6	58%	0.581	44%	0.436	S	S	*	.	H	α-helix	trans	-59.9	-39.4	176.2	-74.3	173.3	-169.1	175.4	9.2	113	E593 K594 Q595 S600 Q601	E593-R597 WeakPolarHBondContact O-CB 3.35Å; E593-R597 VanDerWaalsContact O-CG 3.23Å; E593-R597 WeakPolarHBondContact O-CG 3.14Å; E593-R597 PolarHBondContact O-N 3.39Å; K594-R597 PolarHBondContact O-N 2.74Å; Q595-R597 PolarHBondContact O-N 3.27Å; R597-S600 PolarHBondContact O-N 3.24Å; R597-Q601 WeakPolarHBondContact O-CB 3.36Å; R597-Q601 VanDerWaalsContact O-CG 3.29Å; R597-Q601 WeakPolarHBondContact O-CG 3.38Å; R597-Q601 PolarHBondContact O-N 3.36Å
598	A	71	Confident	69.4	Low	59 Å²	59	89 Å²	89	49%	0.488	46%	0.456	S	S	.	.	H	α-helix	trans	-66	-41.7	176.9	0	0	0	0	0	111.6	K594 Q595 K596 Q601 S602	K594-A598 WeakPolarHBondContact O-CB 3.5Å; K594-A598 PolarHBondContact O-N 3.47Å; Q595-A598 PolarHBondContact O-N 3.09Å; K596-A598 VanDerWaalsContact C-N 3.33Å; K596-A598 PolarHBondContact O-N 3.49Å; A598-Q601 PolarHBondContact O-N 3.37Å; A598-S602 PolarHBondContact O-N 3.17Å
599	S	69.6	Low	68.6	Low	65 Å²	65	91.3 Å²	91.3	46%	0.455	47%	0.469	S	S	.	.	H	α-helix	trans	-64.4	-41.4	175.1	70.9	0	0	0	0	112.2	Q595 K596 S602	Q595-S599 PolarHBondContact O-N 3.45Å; K596-S599 PolarHBondContact O-N 3.24Å; K596-S599 PolarHBondContact O-OG 2.9Å; S599-S602 PolarHBondContact O-N 2.88Å; S599-S602 PolarHBondContact O-OG 3.44Å
600	S	64.5	Low	67.8	Low	59 Å²	59	92.4 Å²	92.4	41%	0.413	47%	0.474	S	S	.	.	H	α-helix	trans	-66.8	-37.3	176	-53.1	0	0	0	0	112.5	K596 R597 S602 I603 D604	K596-S600 PolarHBondContact O-N 3.5Å; K596-S600 PolarHBondContact O-OG 3.37Å; K596-S600 VanDerWaalsContact O-OG 3.08Å; R597-S600 PolarHBondContact O-N 3.24Å; S600-S602 VanDerWaalsContact C-N 3.27Å; S600-S602 PolarHBondContact O-N 3.17Å; S600-I603 PolarHBondContact O-N 3.15Å; S600-I603 VanDerWaalsContact O-N 3.09Å; S600-D604 PolarHBondContact O-N 3.38Å
601	Q	55.5	Low	67.1	Low	90 Å²	90	89.7 Å²	89.7	42%	0.421	47%	0.468	S	S	.	.	H	α-helix	trans	-62.1	-34.3	176.1	-79.5	176.3	7.8	0	0	112.4	R597 A598 I603 D604 E605	R597-Q601 WeakPolarHBondContact O-CB 3.36Å; R597-Q601 VanDerWaalsContact O-CG 3.29Å; R597-Q601 WeakPolarHBondContact O-CG 3.38Å; R597-Q601 PolarHBondContact O-N 3.36Å; A598-Q601 PolarHBondContact O-N 3.37Å; Q601-I603 PolarHBondContact O-N 3.34Å; Q601-D604 PolarHBondContact O-N 3.07Å; Q601-E605 WeakPolarHBondContact O-CB 3.5Å; Q601-E605 WeakPolarHBondContact O-CG 3.45Å; Q601-E605 PolarHBondContact O-N 3.4Å
602	S	51.7	Low	66.6	Low	80 Å²	80	93.8 Å²	93.8	56%	0.559	48%	0.482	S	S	*	.	H	α-helix	trans	-65.6	-24.7	175.7	72.8	0	0	0	0	113.7	A598 S599 S600	A598-S602 PolarHBondContact O-N 3.17Å; S599-S602 PolarHBondContact O-N 2.88Å; S599-S602 PolarHBondContact O-OG 3.44Å; S600-S602 VanDerWaalsContact C-N 3.27Å; S600-S602 PolarHBondContact O-N 3.17Å
603	I	51.4	Low	65.9	Low	121 Å²	121	96.7 Å²	96.7	62%	0.621	50%	0.497	S	S	*	.	H	α-helix	trans	-87.6	-36.7	176.5	-59.9	169.6	0	0	0	110.3	S600 Q601	S600-I603 PolarHBondContact O-N 3.15Å; S600-I603 VanDerWaalsContact O-N 3.09Å; Q601-I603 PolarHBondContact O-N 3.34Å
604	D	47.4	Very low	65.2	Low	73 Å²	73	96 Å²	96	39%	0.39	50%	0.503	S	S	.	.	H	α-helix	trans	-80.3	-22.2	-178.4	-74	-15.2	0	0	0	113.7	S600 Q601 V606 I607 R612	S600-D604 PolarHBondContact O-N 3.38Å; Q601-D604 PolarHBondContact O-N 3.07Å; D604-V606 PolarHBondContact O-N 2.85Å; D604-V606 VanDerWaalsContact O-N 3.15Å; D604-I607 CarbonylContact O-C 3.56Å; D604-I607 VanDerWaalsContact O-C 3.3Å; D604-I607 PolarHBondContact O-N 3.14Å; D604-R612 VanDerWaalsContact CG-NH2 3.35Å; D604-R612 IonicContact OD1-CZ 2.73Å; D604-R612 IonicContact OD1-NH2 3.49Å; D604-R612 PolarHBondContact OD1-NH2 3.47Å; D604-R612 IonicContact OD2-NH2 2.97Å
605	E	51.5	Low	64.5	Low	149 Å²	149	101.4 Å²	101.4	70%	0.696	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.3	175.2	-83.3	180	-174	0	0	113.2	Q601	Q601-E605 WeakPolarHBondContact O-CB 3.5Å; Q601-E605 WeakPolarHBondContact O-CG 3.45Å; Q601-E605 PolarHBondContact O-N 3.4Å
606	V	55.2	Low	63.6	Low	116 Å²	116	104.7 Å²	104.7	70%	0.703	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-20.3	173.2	-176.9	0	0	0	0	112.3	D604	D604-V606 PolarHBondContact O-N 2.85Å; D604-V606 VanDerWaalsContact O-N 3.15Å
607	I	58.2	Low	62	Low	79 Å²	79	107.3 Å²	107.3	41%	0.405	55%	0.554	S	S	.	*	S	Bend	trans	-136.4	97.1	-175.1	-52	178.1	0	0	0	108.8	D604 D611 R612	D604-I607 CarbonylContact O-C 3.56Å; D604-I607 VanDerWaalsContact O-C 3.3Å; D604-I607 PolarHBondContact O-N 3.14Å; I607-D611 HydrophobicContact CG2-CB 3.82Å; I607-R612 HydrophobicContact CG2-CG 3.55Å
608	T	66.5	Low	60.4	Low	72 Å²	72	108.8 Å²	108.8	44%	0.442	57%	0.567	S	S	.	*			trans	-63.3	156.5	174.2	65.1	0	0	0	0	110.8	F610 D611 R612	T608-F610 PolarHBondContact O-N 3.03Å; T608-F610 VanDerWaalsContact O-N 3.11Å; T608-D611 WeakPolarHBondContact CB-OD2 3.38Å; T608-D611 PolarHBondContact N-OD2 3.1Å; T608-D611 WeakPolarHBondContact O-CA 3.37Å; T608-D611 WeakPolarHBondContact O-CB 3.47Å; T608-D611 PolarHBondContact O-N 3.19Å; T608-D611 PolarHBondContact OG1-N 3.32Å; T608-D611 VanDerWaalsContact OG1-N 3.15Å; T608-D611 PolarHBondContact OG1-OD2 3.17Å; T608-R612 PolarHBondContact O-N 3.21Å
609	D	63.8	Low	59.1	Low	118 Å²	118	114 Å²	114	63%	0.631	58%	0.581	S	S	*	*	H	α-helix	trans	-57.4	-26.6	172.7	-73.9	-33.2	0	0	0	112.1	R612 L613	D609-R612 IonicContact OD1-NH1 3.73Å; D609-L613 WeakPolarHBondContact O-CG 3.35Å; D609-L613 PolarHBondContact O-N 2.95Å; D609-L613 VanDerWaalsContact O-N 3.15Å
610	F	69	Low	57.6	Low	159 Å²	159	119.2 Å²	119.2	70%	0.697	60%	0.598	S	S	*	*	H	α-helix	trans	-65.8	-44.3	170.6	-177.3	-94	0	0	0	111.7	T608 R612 L613 A614	T608-F610 PolarHBondContact O-N 3.03Å; T608-F610 VanDerWaalsContact O-N 3.11Å; F610-R612 PolarHBondContact O-N 3.1Å; F610-L613 PolarHBondContact O-N 3.37Å; F610-A614 WeakPolarHBondContact O-CB 3.43Å; F610-A614 PolarHBondContact O-N 2.93Å
611	D	69.8	Low	56.1	Low	49 Å²	49	120.9 Å²	120.9	26%	0.262	62%	0.616	S	S	.	*	H	α-helix	trans	-63.4	-41.4	175.8	-58.7	-42.4	0	0	0	111.1	I607 T608 L613 A614 F615	I607-D611 HydrophobicContact CG2-CB 3.82Å; T608-D611 WeakPolarHBondContact CB-OD2 3.38Å; T608-D611 PolarHBondContact N-OD2 3.1Å; T608-D611 WeakPolarHBondContact O-CA 3.37Å; T608-D611 WeakPolarHBondContact O-CB 3.47Å; T608-D611 PolarHBondContact O-N 3.19Å; T608-D611 PolarHBondContact OG1-N 3.32Å; T608-D611 VanDerWaalsContact OG1-N 3.15Å; T608-D611 PolarHBondContact OG1-OD2 3.17Å; D611-L613 VanDerWaalsContact C-N 3.26Å; D611-L613 PolarHBondContact O-N 3.46Å; D611-A614 PolarHBondContact O-N 3.2Å; D611-F615 HydrophobicContact CB-CD2 4.24Å; D611-F615 HydrophobicContact CB-CE2 4.13Å; D611-F615 WeakPolarHBondContact O-CD2 3.49Å; D611-F615 PolarHBondContact O-N 2.64Å
612	R	70.5	Confident	55.2	Low	104 Å²	104	128.5 Å²	128.5	39%	0.392	64%	0.641	S	S	.	*	H	α-helix	trans	-60.5	-35.9	175.2	-65.2	-176	-179.8	172.9	-4.5	112.8	D604 I607 T608 D609 F610 K616	D604-R612 VanDerWaalsContact CG-NH2 3.35Å; D604-R612 IonicContact OD1-CZ 2.73Å; D604-R612 IonicContact OD1-NH2 3.49Å; D604-R612 PolarHBondContact OD1-NH2 3.47Å; D604-R612 IonicContact OD2-NH2 2.97Å; I607-R612 HydrophobicContact CG2-CG 3.55Å; T608-R612 PolarHBondContact O-N 3.21Å; D609-R612 IonicContact OD1-NH1 3.73Å; F610-R612 PolarHBondContact O-N 3.1Å; R612-K616 WeakPolarHBondContact O-CB 3.08Å; R612-K616 PolarHBondContact O-N 3.25Å
613	L	69.6	Low	54.3	Low	125 Å²	125	128.2 Å²	128.2	65%	0.654	65%	0.65	S	S	*	*	H	α-helix	trans	-75.9	-37.8	176.1	-77	166.5	0	0	0	111.8	D609 F610 D611	D609-L613 WeakPolarHBondContact O-CG 3.35Å; D609-L613 PolarHBondContact O-N 2.95Å; D609-L613 VanDerWaalsContact O-N 3.15Å; F610-L613 PolarHBondContact O-N 3.37Å; D611-L613 VanDerWaalsContact C-N 3.26Å; D611-L613 PolarHBondContact O-N 3.46Å
614	A	67.8	Low	53.8	Low	58 Å²	58	130 Å²	130	48%	0.479	66%	0.661	S	S	.	*	H	α-helix	trans	-66.1	-38.1	178.1	0	0	0	0	0	112.5	F610 D611	F610-A614 WeakPolarHBondContact O-CB 3.43Å; F610-A614 PolarHBondContact O-N 2.93Å; D611-A614 PolarHBondContact O-N 3.2Å
615	F	65	Low	53.2	Low	170 Å²	170	134.3 Å²	134.3	75%	0.746	68%	0.682	S	S	*	*	H	α-helix	trans	-86.7	-10.6	-178.4	-67.8	-64.1	0	0	0	115	D611	D611-F615 HydrophobicContact CB-CD2 4.24Å; D611-F615 HydrophobicContact CB-CE2 4.13Å; D611-F615 WeakPolarHBondContact O-CD2 3.49Å; D611-F615 PolarHBondContact O-N 2.64Å
616	K	61.6	Low	52.6	Low	185 Å²	185	137.1 Å²	137.1	80%	0.804	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-7.7	177.4	-86.1	-173.4	175.2	-177.6	0	114.9	R612	R612-K616 WeakPolarHBondContact O-CB 3.08Å; R612-K616 PolarHBondContact O-N 3.25Å
617	Q	45.9	Very low	51.7	Low	169 Å²	169	136.8 Å²	136.8	79%	0.79	69%	0.694	S	S	*	*			trans	-114.7	66.5	179	-91.1	179.4	-14.6	0	0	111.2
618	E	42.9	Very low	50.6	Low	184 Å²	184	141 Å²	141	86%	0.86	71%	0.712	S	S	*	*			trans	-70.6	120.5	142.5	-77.7	-175.2	166.5	0	0	107.1
619	Q	43.3	Very low	49	Very low	169 Å²	169	147.3 Å²	147.3	79%	0.79	73%	0.733	S	S	*	*	S	Bend	trans	136.4	105.8	156.4	-67	-140.8	-9.4	0	0	113
620	H	39	Very low	47.7	Very low	174 Å²	174	150 Å²	150	81%	0.806	74%	0.742	S	S	*	*			trans	68	104	152.6	-67.4	-74.4	0	0	0	119.4	R622	H620-R622 PolarHBondContact O-N 3.1Å
621	A	33.5	Very low	45.9	Very low	95 Å²	95	150.5 Å²	150.5	79%	0.785	75%	0.749	S	S	*	*			trans	-45.3	128.2	156.7	0	0	0	0	0	113.2
622	R	36	Very low	44.2	Very low	250 Å²	250	154.1 Å²	154.1	94%	0.943	78%	0.775	S	S	*	*				-173.5	137.6	127.7	-100.7	165.3	179.3	169.5	0.8	110.3	H620	H620-R622 PolarHBondContact O-N 3.1Å
623	G	32.9	Very low	42.4	Very low	74 Å²	74	155.3 Å²	155.3	76%	0.763	79%	0.788	S	S	*	*			trans	-78	153.2	-155.9	0	0	0	0	0	116.5
624	L	40.1	Very low	40.5	Very low	159 Å²	159	158 Å²	158	83%	0.832	80%	0.802	S	S	*	*			trans	-146.4	104.4	157.5	-77.1	174.6	0	0	0	109.3
625	I	36.3	Very low	38.7	Very low	163 Å²	163	164.8 Å²	164.8	84%	0.836	82%	0.815	S	S	*	*			trans	29	106.1	135.6	-54.5	164.7	0	0	0	115.8
626	K	37.5	Very low	37.3	Very low	207 Å²	207	162 Å²	162	90%	0.9	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-86.1	116.4	166.1	-86.1	-178.7	175.5	175.4	0	110.5
627	S	37.6	Very low	35.9	Very low	109 Å²	109	160.1 Å²	160.1	76%	0.762	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68.1	131.1	169.7	60.9	0	0	0	0	111.8	K629	S627-K629 PolarHBondContact O-N 3.48Å
628	H	34	Very low	35.5	Very low	169 Å²	169	159.5 Å²	159.5	78%	0.782	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-54.5	119.8	166.4	-107.3	-95	0	0	0	112.2
629	K	33.7	Very low	35.1	Very low	203 Å²	203	159.4 Å²	159.4	88%	0.883	82%	0.816	S	S	*	*			trans	-153.2	100	149.2	-103.6	174.8	-171.7	178.7	0	108.4	S627	S627-K629 PolarHBondContact O-N 3.48Å
630	Q	36	Very low	34.4	Very low	175 Å²	175	161.6 Å²	161.6	82%	0.818	82%	0.823	S	S	*	*			trans	-70.6	131.5	171.2	-81.9	176	-21.8	0	0	109.8
631	M	31	Very low	34.3	Very low	169 Å²	169	158.8 Å²	158.8	83%	0.833	82%	0.822	S	S	*	*			trans	-88.3	133.6	157.7	-70.1	-135.9	114.8	0	0	108.6	I633	M631-I633 PolarHBondContact O-N 3.29Å
632	P	33.3	Very low	34.3	Very low	126 Å²	126	163.5 Å²	163.5	82%	0.818	83%	0.825	S	S	*	*			trans	-76.8	108.9	178.3	29.7	-29.6	0	0	0	109.5
633	I	33.3	Very low	34.3	Very low	128 Å²	128	159.5 Å²	159.5	66%	0.656	82%	0.821	S	S	*	*			trans	-90.7	116.8	163.2	-57.1	174.4	0	0	0	106.2	M631 R635	M631-I633 PolarHBondContact O-N 3.29Å; I633-R635 VanDerWaalsContact C-N 3.33Å; I633-R635 HydrophobicContact CG2-CG 3.86Å; I633-R635 PolarHBondContact O-N 3.47Å
634	L	29.7	Very low	34.3	Very low	183 Å²	183	163 Å²	163	96%	0.958	82%	0.822	S	S	*	*			trans	-66.7	93.5	166	-87.5	158.2	0	0	0	108.3
635	R	30	Very low	33.9	Very low	199 Å²	199	162.7 Å²	162.7	75%	0.751	82%	0.822	S	S	*	*			trans	-106.2	115.9	161.5	-75.3	-174.3	177.9	-179.2	-0.9	107.7	I633 N637	I633-R635 VanDerWaalsContact C-N 3.33Å; I633-R635 HydrophobicContact CG2-CG 3.86Å; I633-R635 PolarHBondContact O-N 3.47Å; R635-N637 PolarHBondContact O-N 2.84Å
636	S	36.4	Very low	33.5	Very low	113 Å²	113	163.8 Å²	163.8	79%	0.79	82%	0.823	S	S	*	*			trans	-70.5	104.9	162.7	51.5	0	0	0	0	108.1	I638	S636-I638 PolarHBondContact O-N 3.18Å
637	N	32	Very low	33.3	Very low	145 Å²	145	160.2 Å²	160.2	78%	0.775	82%	0.818	S	S	*	*			trans	-80.2	107.9	165.2	-73.2	-17.5	0	0	0	107.6	R635	R635-N637 PolarHBondContact O-N 2.84Å
638	I	36.9	Very low	32.8	Very low	156 Å²	156	159.9 Å²	159.9	80%	0.8	82%	0.816	S	S	*	*			trans	-109.7	111.7	156.2	-65.9	175.4	0	0	0	105.3	S636	S636-I638 PolarHBondContact O-N 3.18Å
639	E	34.3	Very low	32.6	Very low	182 Å²	182	156.7 Å²	156.7	85%	0.85	81%	0.813	S	S	*	*			trans	-63.9	128.4	176.4	-74.5	177.8	150.8	0	0	110.2	S641	E639-S641 PolarHBondContact O-N 3.16Å
640	K	30	Very low	32.3	Very low	214 Å²	214	155 Å²	155	93%	0.93	81%	0.814	S	S	*	*			trans	-71.4	116.4	167.1	-72.7	177.8	174.2	-178.4	0	108.4
641	S	36	Very low	32.2	Very low	115 Å²	115	151.1 Å²	151.1	80%	0.804	81%	0.811	S	S	*	*			trans	-125.4	139.3	152.6	59.9	0	0	0	0	109.5	E639	E639-S641 PolarHBondContact O-N 3.16Å
642	K	32.7	Very low	32	Very low	194 Å²	194	147.2 Å²	147.2	84%	0.843	80%	0.801	S	S	*	*			trans	-47.2	137.9	-171.5	-64	161.9	171.8	179.8	0	113.8
643	I	35.9	Very low	31.8	Very low	166 Å²	166	154 Å²	154	85%	0.851	81%	0.81	S	S	*	*			trans	-157.5	142.7	139.9	-84.6	133.2	0	0	0	106.5
644	D	34.4	Very low	31.6	Very low	148 Å²	148	152 Å²	152	79%	0.791	81%	0.807	S	S	*	*			trans	-73.4	169.6	-155.3	-53.9	-63.2	0	0	0	116.8
645	D	30.2	Very low	31.6	Very low	153 Å²	153	149.9 Å²	149.9	82%	0.818	80%	0.802	S	S	*	*			trans	-56.1	162.6	-179.2	-67.4	-58	0	0	0	115.6
646	E	29.2	Very low	31.6	Very low	185 Å²	185	147.9 Å²	147.9	86%	0.864	81%	0.812	S	S	*	*			trans	99.1	138.7	166	-56.5	-158.7	153.6	0	0	117.9
647	V	33.7	Very low	31.2	Very low	132 Å²	132	145.9 Å²	145.9	80%	0.8	81%	0.809	S	S	*	*			trans	92.2	93.1	175.1	-164.5	0	0	0	0	115.6
648	S	27.1	Very low	31.3	Very low	103 Å²	103	144.8 Å²	144.8	72%	0.72	81%	0.812	S	S	*	*				40.9	140.7	124.5	-60.6	0	0	0	0	121
649	S	29.3	Very low	30.9	Very low	102 Å²	102	144.5 Å²	144.5	71%	0.713	82%	0.818	S	S	*	*			trans	91.8	113.6	141.3	66.2	0	0	0	0	120
650	N	27.7	Very low	30.7	Very low	168 Å²	168	144.5 Å²	144.5	90%	0.898	82%	0.818	S	S	*	*				33.7	98.4	129.2	-63.7	-10.6	0	0	0	118.2
651	A	32.3	Very low	30.6	Very low	92 Å²	92	140.9 Å²	140.9	76%	0.76	81%	0.814	S	S	*	*			trans	-146.1	91.3	154.4	0	0	0	0	0	108.2
652	S	28.4	Very low	30.4	Very low	88 Å²	88	142.4 Å²	142.4	62%	0.615	82%	0.818	S	S	*	*				61.3	95	80.1	-157.8	0	0	0	0	113.7	S654	S652-S654 PolarHBondContact OG-OG 3.15Å
653	W	28.7	Very low	30.3	Very low	268 Å²	268	137.8 Å²	137.8	100%	1.015	81%	0.81	S	S	*	*			trans	-107	65.5	151.3	-80	51	0	0	0	107.4
654	S	28.7	Very low	29.8	Very low	86 Å²	86	137 Å²	137	60%	0.601	81%	0.807	S	S	*	*			trans	-137.5	76.7	176.1	62.1	0	0	0	0	111	S652	S652-S654 PolarHBondContact OG-OG 3.15Å
655	T	29.1	Very low	29.7	Very low	139 Å²	139	138.4 Å²	138.4	85%	0.853	81%	0.814	S	S	*	*			trans	-160.1	73.6	156.8	-51.4	0	0	0	0	110.2
656	V	31.3	Very low	29.6	Very low	157 Å²	157	136.2 Å²	136.2	95%	0.952	81%	0.811	S	S	*	*			trans	-146	85.4	160.6	-159.9	0	0	0	0	108.8
657	G	27.9	Very low	29.6	Very low	71 Å²	71	133.8 Å²	133.8	73%	0.732	81%	0.813	S	S	*	*			trans	161.7	49.3	175.9	0	0	0	0	0	116.8
658	S	32.9	Very low	29.3	Very low	121 Å²	121	132.4 Å²	132.4	85%	0.846	81%	0.809	S	S	*	*			trans	-150.8	104.9	158.5	-74	0	0	0	0	107.9
659	V	29.3	Very low	29.7	Very low	151 Å²	151	132.9 Å²	132.9	92%	0.915	81%	0.812	S	S	*	*			trans	-95.5	98.9	167.6	171.3	0	0	0	0	105.2
660	E	30.7	Very low	29.7	Very low	182 Å²	182	133.8 Å²	133.8	85%	0.85	82%	0.819	S	S	*	*			trans	-128.3	129.3	158.4	-73.1	-169.6	171.8	0	0	109
661	T	27.4	Very low	29.9	Very low	138 Å²	138	129.4 Å²	129.4	85%	0.847	81%	0.813	S	S	*	*			trans	-46.4	117.9	-179	28.7	0	0	0	0	114.9
662	V	32.6	Very low	29.7	Very low	147 Å²	147	131.2 Å²	131.2	89%	0.891	82%	0.815	S	S	*	*			trans	-150.7	137.9	142.7	-125.4	0	0	0	0	111.4
663	S	28.8	Very low	29.7	Very low	96 Å²	96	133 Å²	133	67%	0.671	82%	0.822	S	S	*	*			trans	-69	153	-170.7	39.7	0	0	0	0	116.3
664	N	26.7	Very low	29.5	Very low	149 Å²	149	128.7 Å²	128.7	80%	0.797	81%	0.813	S	S	*	*			trans	51.9	107.1	150.9	-64.4	-10.7	0	0	0	118.1
665	L	32.3	Very low	29.5	Very low	178 Å²	178	133.9 Å²	133.9	93%	0.932	83%	0.826	S	S	*	*				-174	127.3	126.3	-95.2	143	0	0	0	110.4
666	S	27	Very low	29.5	Very low	108 Å²	108	133.7 Å²	133.7	76%	0.755	82%	0.824	S	S	*	*			trans	-71	136.8	175.1	48.5	0	0	0	0	112.4
667	C	29.7	Very low	29.4	Very low	133 Å²	133	134.2 Å²	134.2	90%	0.899	82%	0.82	S	S	*	*			trans	-160.7	142.4	137.9	-139.4	0	0	0	0	112.7
668	S	27.2	Very low	29.5	Very low	104 Å²	104	139.7 Å²	139.7	73%	0.727	83%	0.827	S	S	*	*			trans	-98.2	139.7	-169.9	39	0	0	0	0	112.6
669	S	35.1	Very low	29.3	Very low	112 Å²	112	142.1 Å²	142.1	78%	0.783	83%	0.83	S	S	*	*			trans	-177.8	100.9	150.7	24.4	0	0	0	0	108.9
670	S	30.6	Very low	29.6	Very low	122 Å²	122	137.6 Å²	137.6	85%	0.853	81%	0.814	S	S	*	*				82.7	106.4	102.1	57.7	0	0	0	0	114.8
671	G	31.6	Very low	29.7	Very low	76 Å²	76	134.1 Å²	134.1	78%	0.784	82%	0.817	S	S	*	*			trans	167.9	51.8	172.7	0	0	0	0	0	113.8
672	T	27.1	Very low	30.2	Very low	130 Å²	130	134 Å²	134	80%	0.798	82%	0.816	S	S	*	*			trans	-85.5	108.7	178	-55.4	0	0	0	0	110.3	Q674	T672-Q674 HydrophobicContact CG2-CG 4.29Å
673	T	28.8	Very low	30.5	Very low	124 Å²	124	134 Å²	134	76%	0.761	80%	0.803	S	S	*	*			trans	-106.1	108.4	155.7	37.7	0	0	0	0	108.7
674	Q	25.7	Very low	31.1	Very low	179 Å²	179	134.4 Å²	134.4	84%	0.836	79%	0.793	S	S	*	*			trans	-65.6	128.2	170.5	-75.7	175	-46.2	0	0	109.9	T672	T672-Q674 HydrophobicContact CG2-CG 4.29Å
675	F	27.2	Very low	31.7	Very low	195 Å²	195	132 Å²	132	86%	0.855	79%	0.786	S	S	*	*			trans	-110.1	121.7	157.5	-87.4	-83.7	0	0	0	108.7
676	V	29.2	Very low	32.4	Very low	135 Å²	135	129.9 Å²	129.9	82%	0.818	77%	0.765	S	S	*	*			trans	-65.2	127.8	173.3	174.4	0	0	0	0	108.8
677	L	29	Very low	33.1	Very low	168 Å²	168	130.7 Å²	130.7	88%	0.88	75%	0.752	S	S	*	*			trans	-78.8	111.3	171.4	-95.9	144	0	0	0	108.9
678	E	30.3	Very low	34	Very low	185 Å²	185	130 Å²	130	86%	0.864	74%	0.739	S	S	*	*			trans	-104.9	129.9	158.2	-102.3	-170.6	162.1	0	0	109.5	G680	E678-G680 PolarHBondContact O-N 3.42Å
679	D	29.3	Very low	34.8	Very low	172 Å²	172	131 Å²	131	92%	0.92	74%	0.736	S	S	*	*			trans	-62.4	110.6	-176.5	-77.9	-44.9	0	0	0	112.6
680	G	34.6	Very low	35.3	Very low	56 Å²	56	129.2 Å²	129.2	58%	0.577	72%	0.723	S	S	*	*			trans	-154.2	116	172.4	0	0	0	0	0	111	E678 V682	E678-G680 PolarHBondContact O-N 3.42Å; G680-V682 PolarHBondContact O-N 3.43Å
681	A	32.8	Very low	35.8	Very low	110 Å²	110	128.8 Å²	128.8	91%	0.909	71%	0.707	S	S	*	*			trans	-62.7	80.9	-172.6	0	0	0	0	0	114.2	K683	A681-K683 PolarHBondContact O-N 3.5Å
682	V	38.3	Very low	36.4	Very low	135 Å²	135	127.7 Å²	127.7	82%	0.818	69%	0.69	S	S	*	*			trans	-81.8	109.1	172.1	-177	0	0	0	0	109.2	G680 K684	G680-V682 PolarHBondContact O-N 3.43Å; V682-K684 PolarHBondContact O-N 2.79Å
683	K	39.4	Very low	37.3	Very low	146 Å²	146	129.5 Å²	129.5	64%	0.635	69%	0.688	S	S	*	*			trans	-63.8	123	176	-72.3	173.8	-178.7	168.9	0	109.7	A681 R687	A681-K683 PolarHBondContact O-N 3.5Å; K683-R687 HydrophobicContact CB-CB 4.46Å
684	K	41.2	Very low	37.9	Very low	105 Å²	105	131.1 Å²	131.1	46%	0.457	68%	0.679	S	S	.	*			trans	-46.7	137.7	175.6	-58.7	-177.7	-177.1	178.8	0	111.3	V682 W686 R687 E734	V682-K684 PolarHBondContact O-N 2.79Å; K684-W686 HydrophobicContact CB-CD2 4.03Å; K684-W686 HydrophobicContact CB-CE3 4.37Å; K684-W686 HydrophobicContact CB-CH2 4.24Å; K684-W686 HydrophobicContact CB-CZ2 3.86Å; K684-W686 HydrophobicContact CB-CZ3 4.46Å; K684-W686 HydrophobicContact CD-CH2 3.52Å; K684-W686 HydrophobicContact CD-CZ2 3.17Å; K684-W686 HydrophobicContact CD-CZ3 4.45Å; K684-W686 HydrophobicContact CG-CH2 4.42Å; K684-W686 HydrophobicContact CG-CZ2 4.12Å; K684-W686 PolarHBondContact O-N 3.03Å; K684-R687 WeakPolarHBondContact O-CB 3.36Å; K684-R687 PolarHBondContact O-N 3.11Å; K684-E734 IonicContact NZ-OE2 3.44Å
685	P	39.2	Very low	38.7	Very low	98 Å²	98	127.5 Å²	127.5	64%	0.636	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-24	-165.1	15.8	-28.9	0	0	0	115.7	R687 L688	P685-R687 VanDerWaalsContact C-N 3.27Å; P685-R687 PolarHBondContact O-N 3.4Å; P685-L688 PolarHBondContact O-N 3.34Å
686	W	47.3	Very low	39.3	Very low	134 Å²	134	124.5 Å²	124.5	51%	0.508	66%	0.658	S	S	.	*	H	α-helix	trans	-68.2	-21.5	174.2	55.2	77.1	0	0	0	114.1	M523 K684 L688	M523-W686 HydrophobicContact CE-CB 4.45Å; K684-W686 HydrophobicContact CB-CD2 4.03Å; K684-W686 HydrophobicContact CB-CE3 4.37Å; K684-W686 HydrophobicContact CB-CH2 4.24Å; K684-W686 HydrophobicContact CB-CZ2 3.86Å; K684-W686 HydrophobicContact CB-CZ3 4.46Å; K684-W686 HydrophobicContact CD-CH2 3.52Å; K684-W686 HydrophobicContact CD-CZ2 3.17Å; K684-W686 HydrophobicContact CD-CZ3 4.45Å; K684-W686 HydrophobicContact CG-CH2 4.42Å; K684-W686 HydrophobicContact CG-CZ2 4.12Å; K684-W686 PolarHBondContact O-N 3.03Å; W686-L688 VanDerWaalsContact C-N 3.31Å; W686-L688 PolarHBondContact O-N 3.31Å
687	R	41.9	Very low	40	Very low	125 Å²	125	121.5 Å²	121.5	47%	0.472	64%	0.643	S	S	.	*	H	α-helix	trans	-70.4	-26.4	174	-74.9	-171.3	177.3	179.5	0.5	112.2	K683 K684 P685 S690 D731	K683-R687 HydrophobicContact CB-CB 4.46Å; K684-R687 WeakPolarHBondContact O-CB 3.36Å; K684-R687 PolarHBondContact O-N 3.11Å; P685-R687 VanDerWaalsContact C-N 3.27Å; P685-R687 PolarHBondContact O-N 3.4Å; R687-S690 PolarHBondContact O-OG 3.22Å; R687-D731 IonicContact NH2-OD2 3.85Å; R687-D731 PolarHBondContact NH2-OD2 3.47Å
688	L	48.5	Very low	40.6	Very low	120 Å²	120	117.9 Å²	117.9	63%	0.628	63%	0.628	S	S	*	*	H	α-helix	trans	-71.7	-36.4	178.7	-67.7	167.6	0	0	0	112.4	P685 W686 S690 H691 A692	P685-L688 PolarHBondContact O-N 3.34Å; W686-L688 VanDerWaalsContact C-N 3.31Å; W686-L688 PolarHBondContact O-N 3.31Å; L688-S690 VanDerWaalsContact C-N 3.32Å; L688-S690 PolarHBondContact O-N 3.15Å; L688-H691 PolarHBondContact O-N 3.21Å; L688-H691 VanDerWaalsContact O-N 3.15Å; L688-A692 PolarHBondContact O-N 3.13Å; L688-A692 VanDerWaalsContact O-N 3.16Å
689	L	43.8	Very low	41	Very low	125 Å²	125	117 Å²	117	65%	0.654	62%	0.624	S	S	*	*	H	α-helix	trans	-66.7	-32.9	177.8	-70.8	164.5	0	0	0	112.7	H691 K693	L689-H691 VanDerWaalsContact C-N 3.28Å; L689-H691 PolarHBondContact O-N 3.25Å; L689-K693 PolarHBondContact O-N 3.36Å
690	S	45.6	Very low	41.6	Very low	74 Å²	74	113 Å²	113	52%	0.517	61%	0.609	S	S	.	*	H	α-helix	trans	-68.3	-27.2	174.6	78.1	0	0	0	0	113.2	R687 L688 R694	R687-S690 PolarHBondContact O-OG 3.22Å; L688-S690 VanDerWaalsContact C-N 3.32Å; L688-S690 PolarHBondContact O-N 3.15Å; S690-R694 PolarHBondContact O-N 3.03Å
691	H	41.7	Very low	41.8	Very low	112 Å²	112	115.6 Å²	115.6	52%	0.519	61%	0.614	S	S	.	*	H	α-helix	trans	-81.1	-38.2	179.1	-148.9	-90.7	0	0	0	111.4	L688 L689 K693 R694 L695	L688-H691 PolarHBondContact O-N 3.21Å; L688-H691 VanDerWaalsContact O-N 3.15Å; L689-H691 VanDerWaalsContact C-N 3.28Å; L689-H691 PolarHBondContact O-N 3.25Å; H691-K693 PolarHBondContact O-N 3.01Å; H691-R694 WeakPolarHBondContact O-CB 3.1Å; H691-R694 PolarHBondContact O-N 2.97Å; H691-R694 VanDerWaalsContact O-N 3.17Å; H691-L695 PolarHBondContact O-N 3Å
692	A	44.8	Very low	42.1	Very low	53 Å²	53	117 Å²	117	44%	0.438	61%	0.605	S	S	.	*	H	α-helix	trans	-62.9	-40.3	174.6	0	0	0	0	0	112.3	L688 R694 L695 N696	L688-A692 PolarHBondContact O-N 3.13Å; L688-A692 VanDerWaalsContact O-N 3.16Å; A692-R694 VanDerWaalsContact C-N 3.29Å; A692-R694 PolarHBondContact O-N 3.31Å; A692-L695 PolarHBondContact O-N 3.14Å; A692-N696 PolarHBondContact O-N 3.49Å
693	K	44.8	Very low	42.1	Very low	169 Å²	169	116.8 Å²	116.8	74%	0.735	60%	0.603	S	S	*	*	H	α-helix	trans	-68.2	-25.4	174.6	-119.8	174.3	-177.7	172.8	0	113.4	L689 H691	L689-K693 PolarHBondContact O-N 3.36Å; H691-K693 PolarHBondContact O-N 3.01Å
694	R	41.2	Very low	41.9	Very low	157 Å²	157	115 Å²	115	59%	0.592	61%	0.609	S	S	*	*	H	α-helix	trans	-73.9	-38.7	173.9	-101.3	-175.1	-168.7	174.6	8.1	112.6	S690 H691 A692 S697 V698	S690-R694 PolarHBondContact O-N 3.03Å; H691-R694 WeakPolarHBondContact O-CB 3.1Å; H691-R694 PolarHBondContact O-N 2.97Å; H691-R694 VanDerWaalsContact O-N 3.17Å; A692-R694 VanDerWaalsContact C-N 3.29Å; A692-R694 PolarHBondContact O-N 3.31Å; R694-S697 PolarHBondContact O-N 3.25Å; R694-V698 WeakPolarHBondContact O-CG2 3.46Å; R694-V698 PolarHBondContact O-N 3.47Å
695	L	42.8	Very low	41.4	Very low	104 Å²	104	118 Å²	118	55%	0.545	63%	0.63	S	S	.	*	H	α-helix	trans	-69.7	-36.9	-179	-71.1	167.9	0	0	0	112.1	H691 A692 S697 V698 H699	H691-L695 PolarHBondContact O-N 3Å; A692-L695 PolarHBondContact O-N 3.14Å; L695-S697 VanDerWaalsContact C-N 3.29Å; L695-S697 PolarHBondContact O-N 2.76Å; L695-V698 PolarHBondContact O-N 2.88Å; L695-H699 PolarHBondContact O-N 2.89Å
696	N	40.9	Very low	41.5	Very low	131 Å²	131	122.2 Å²	122.2	70%	0.701	64%	0.642	S	S	*	*	H	α-helix	trans	-72.7	-18.9	177	-70.8	-4.1	0	0	0	114	A692	A692-N696 PolarHBondContact O-N 3.49Å
697	S	42.4	Very low	40.7	Very low	72 Å²	72	121.9 Å²	121.9	50%	0.503	66%	0.655	S	S	.	*	H	α-helix	trans	-87.6	-17.8	175.8	153.4	0	0	0	0	113.3	R694 L695 S700 T701	R694-S697 PolarHBondContact O-N 3.25Å; L695-S697 VanDerWaalsContact C-N 3.29Å; L695-S697 PolarHBondContact O-N 2.76Å; S697-S700 PolarHBondContact O-OG 3.23Å; S697-T701 PolarHBondContact O-OG1 3.34Å
698	V	42.8	Very low	40.1	Very low	92 Å²	92	124.9 Å²	124.9	56%	0.558	67%	0.674	S	S	*	*	H	α-helix	trans	-87.5	-28	178.9	175	0	0	0	0	110.8	R694 L695 S700	R694-V698 WeakPolarHBondContact O-CG2 3.46Å; R694-V698 PolarHBondContact O-N 3.47Å; L695-V698 PolarHBondContact O-N 2.88Å; V698-S700 VanDerWaalsContact C-N 3.34Å; V698-S700 PolarHBondContact O-N 3.07Å
699	H	38.9	Very low	39.4	Very low	167 Å²	167	123.4 Å²	123.4	77%	0.773	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-16.4	178.6	-115	-69.8	0	0	0	115	L695	L695-H699 PolarHBondContact O-N 2.89Å
700	S	40.4	Very low	39.1	Very low	89 Å²	89	124.3 Å²	124.3	62%	0.622	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	1.3	178.7	62.1	0	0	0	0	114.4	S697 V698	S697-S700 PolarHBondContact O-OG 3.23Å; V698-S700 VanDerWaalsContact C-N 3.34Å; V698-S700 PolarHBondContact O-N 3.07Å
701	T	39.2	Very low	38.9	Very low	110 Å²	110	130.1 Å²	130.1	68%	0.675	71%	0.705	S	S	*	*	S	Bend	trans	-108.3	4.5	-171.4	-41.1	0	0	0	0	113.2	S697	S697-T701 PolarHBondContact O-OG1 3.34Å
702	I	40.1	Very low	39	Very low	140 Å²	140	131.2 Å²	131.2	72%	0.718	71%	0.71	S	S	*	*	S	Bend	trans	-104	-0.3	-173.8	-62.9	175.9	0	0	0	112.9
703	V	38.1	Very low	38.8	Very low	130 Å²	130	133 Å²	133	79%	0.788	72%	0.716	S	S	*	*	S	Bend	trans	-129.6	77.6	-179.4	-172.5	0	0	0	0	110.4
704	S	35.1	Very low	38.9	Very low	108 Å²	108	129.6 Å²	129.6	76%	0.755	71%	0.709	S	S	*	*			trans	169.5	87.6	153	35.8	0	0	0	0	109.9	Q706	S704-Q706 PolarHBondContact O-N 2.92Å
705	N	30.7	Very low	39	Very low	168 Å²	168	130.5 Å²	130.5	90%	0.898	72%	0.717	S	S	*	*			trans	-76.2	100.6	159.4	-83.4	-15.4	0	0	0	107.5
706	Q	39.7	Very low	39.5	Very low	187 Å²	187	132.1 Å²	132.1	87%	0.874	72%	0.722	S	S	*	*			trans	-155	140.6	153.2	-105.4	164.7	51.9	0	0	108.4	S704	S704-Q706 PolarHBondContact O-N 2.92Å
707	T	31.3	Very low	40.1	Very low	127 Å²	127	133 Å²	133	78%	0.779	72%	0.72	S	S	*	*			trans	-70.1	160.6	-161.2	37.6	0	0	0	0	113.6
708	E	29.7	Very low	41	Very low	188 Å²	188	137.5 Å²	137.5	88%	0.879	73%	0.73	S	S	*	*			trans	88.9	91.3	166.8	-53.5	179.8	171.7	0	0	117.8
709	A	34.2	Very low	41.5	Very low	89 Å²	89	136.9 Å²	136.9	74%	0.736	73%	0.729	S	S	*	*			trans	179.1	81.3	144.4	0	0	0	0	0	112.7
710	V	37.1	Very low	42.8	Very low	144 Å²	144	135.9 Å²	135.9	87%	0.873	72%	0.722	S	S	*	*			trans	-90.5	1.5	-178.7	174	0	0	0	0	114.1
711	K	40.7	Very low	44.2	Very low	195 Å²	195	135 Å²	135	85%	0.848	71%	0.708	S	S	*	*	S	Bend	trans	-101.1	-13.1	-170.7	-71.2	-179	179	174.7	0	117.5
712	H	43.8	Very low	45.6	Very low	135 Å²	135	137.4 Å²	137.4	63%	0.625	71%	0.709	S	S	*	*	S	Bend	trans	-96.2	-4	-174.1	-104.1	-106	0	0	0	117.1	E270	E270-H712 IonicContact OE2-CE1 2.99Å; E270-H712 IonicContact OE2-NE2 2.87Å
713	V	41.8	Very low	47.1	Very low	91 Å²	91	135.3 Å²	135.3	55%	0.552	70%	0.699	S	S	*	*	H	α-helix	trans	-85.3	-12.9	-170.2	-179.3	0	0	0	0	113.9
714	T	45.5	Very low	48.8	Very low	97 Å²	97	135.6 Å²	135.6	60%	0.595	69%	0.686	S	S	*	*	H	α-helix	trans	-82.5	-32.2	-173.4	54.2	0	0	0	0	114.2	K717	T714-K717 PolarHBondContact O-N 3.48Å
715	K	44.2	Very low	50.9	Low	177 Å²	177	138.7 Å²	138.7	77%	0.77	68%	0.681	S	S	*	*	H	α-helix	trans	-66.4	-40	178.3	-92.3	-178.7	176.7	175.2	0	112.5	K717 K718 C719	K715-K717 VanDerWaalsContact C-N 3.33Å; K715-K717 PolarHBondContact O-N 3.02Å; K715-K718 PolarHBondContact O-N 3.39Å; K715-C719 PolarHBondContact O-N 3.48Å
716	H	52.8	Low	52.9	Low	137 Å²	137	134.7 Å²	134.7	63%	0.634	66%	0.663	S	S	*	*	H	α-helix	trans	-68.4	-27.8	178.6	-95.8	-68.8	0	0	0	113.9	K720	H716-K720 PolarHBondContact O-N 3.45Å
717	K	53.7	Low	54.7	Low	151 Å²	151	132.9 Å²	132.9	66%	0.657	65%	0.649	S	S	*	*	H	α-helix	trans	-67.7	-40.6	174.4	-77.2	-176.6	176.2	178.5	0	111.8	T714 K715 E721	T714-K717 PolarHBondContact O-N 3.48Å; K715-K717 VanDerWaalsContact C-N 3.33Å; K715-K717 PolarHBondContact O-N 3.02Å; K717-E721 WeakPolarHBondContact O-CB 3.36Å; K717-E721 PolarHBondContact O-N 2.99Å; K717-E721 VanDerWaalsContact O-N 3.11Å
718	K	61.5	Low	56.8	Low	166 Å²	166	134.4 Å²	134.4	72%	0.722	64%	0.64	S	S	*	*	H	α-helix	trans	-66.3	-40.2	178.9	-71.3	-174.5	178.7	-180	0	112.9	K715 E721 K722	K715-K718 PolarHBondContact O-N 3.39Å; K718-E721 PolarHBondContact O-N 3.25Å; K718-K722 PolarHBondContact O-N 3.43Å; K718-K722 VanDerWaalsContact O-N 3.11Å
719	C	53.4	Low	59	Low	79 Å²	79	132.2 Å²	132.2	53%	0.534	63%	0.625	S	S	.	*	H	α-helix	trans	-67.8	-43	178.1	-170.5	0	0	0	0	112.1	K715 E721 K722 L723	K715-C719 PolarHBondContact O-N 3.48Å; C719-E721 VanDerWaalsContact C-N 3.3Å; C719-E721 PolarHBondContact O-N 2.99Å; C719-K722 PolarHBondContact O-N 3Å; C719-L723 VanDerWaalsContact O-N 3.15Å; C719-L723 PolarHBondContact O-N 2.93Å
720	K	65.1	Low	60.8	Low	145 Å²	145	132.5 Å²	132.5	63%	0.63	61%	0.614	S	S	*	*	H	α-helix	trans	-62.2	-35.3	174.9	-82.7	178.3	175.1	170.8	0	112.8	H716 R724	H716-K720 PolarHBondContact O-N 3.45Å; K720-R724 WeakPolarHBondContact O-CG 3.44Å; K720-R724 PolarHBondContact O-N 3.19Å; K720-R724 VanDerWaalsContact O-N 3.11Å
721	E	70.2	Confident	62.5	Low	70 Å²	70	128.8 Å²	128.8	33%	0.327	59%	0.589	S	S	.	*	H	α-helix	trans	-74	-36.3	178.5	-166.1	58.9	-156.8	0	0	112.7	K717 K718 C719 R724 R725	K717-E721 WeakPolarHBondContact O-CB 3.36Å; K717-E721 PolarHBondContact O-N 2.99Å; K717-E721 VanDerWaalsContact O-N 3.11Å; K718-E721 PolarHBondContact O-N 3.25Å; C719-E721 VanDerWaalsContact C-N 3.3Å; C719-E721 PolarHBondContact O-N 2.99Å; E721-R724 PolarHBondContact O-N 3.41Å; E721-R724 IonicContact OE2-NH1 3.47Å; E721-R725 PolarHBondContact O-N 3.34Å
722	K	69.7	Low	64.1	Low	161 Å²	161	125 Å²	125	70%	0.7	57%	0.574	S	S	*	*	H	α-helix	trans	-58.9	-47.7	170.4	-87.1	-173.1	174.1	-175.2	0	111.5	K718 C719 R724 R725 V726	K718-K722 PolarHBondContact O-N 3.43Å; K718-K722 VanDerWaalsContact O-N 3.11Å; C719-K722 PolarHBondContact O-N 3Å; K722-R724 VanDerWaalsContact C-N 3.31Å; K722-R724 PolarHBondContact O-N 3.3Å; K722-R725 PolarHBondContact O-N 3.37Å; K722-V726 WeakPolarHBondContact O-CG2 3.23Å; K722-V726 PolarHBondContact O-N 3.3Å; K722-V726 VanDerWaalsContact O-N 3.13Å
723	L	71.2	Confident	65.5	Low	97 Å²	97	123.4 Å²	123.4	51%	0.508	57%	0.567	S	S	.	*	H	α-helix	trans	-60.3	-41.2	177.6	-125.2	77.7	0	0	0	111.8	C719 R725 V726 Y727	C719-L723 VanDerWaalsContact O-N 3.15Å; C719-L723 PolarHBondContact O-N 2.93Å; L723-R725 PolarHBondContact O-N 3.03Å; L723-V726 PolarHBondContact O-N 2.95Å; L723-Y727 HydrophobicContact CB-CE2 4.5Å; L723-Y727 HydrophobicContact CD2-CE2 3.88Å; L723-Y727 HydrophobicContact CG-CD2 4.47Å; L723-Y727 HydrophobicContact CG-CE2 3.94Å; L723-Y727 WeakPolarHBondContact O-CD2 3.38Å; L723-Y727 PolarHBondContact O-N 3.44Å
724	R	74.4	Confident	66.6	Low	135 Å²	135	125.8 Å²	125.8	51%	0.509	57%	0.572	S	S	.	*	H	α-helix	trans	-61.8	-39.6	176.3	-78.8	174.8	175.3	-178.2	-2.7	113	K720 E721 K722 R728	K720-R724 WeakPolarHBondContact O-CG 3.44Å; K720-R724 PolarHBondContact O-N 3.19Å; K720-R724 VanDerWaalsContact O-N 3.11Å; E721-R724 PolarHBondContact O-N 3.41Å; E721-R724 IonicContact OE2-NH1 3.47Å; K722-R724 VanDerWaalsContact C-N 3.31Å; K722-R724 PolarHBondContact O-N 3.3Å; R724-R728 WeakPolarHBondContact O-CB 3.48Å; R724-R728 PolarHBondContact O-N 3.02Å
725	R	77.5	Confident	67.7	Low	173 Å²	173	131.4 Å²	131.4	65%	0.653	58%	0.582	S	S	*	*	H	α-helix	trans	-66.1	-42.5	176.1	-75.7	-175.7	-168.9	166.2	1	112.1	E721 K722 L723 R728 Y729	E721-R725 PolarHBondContact O-N 3.34Å; K722-R725 PolarHBondContact O-N 3.37Å; L723-R725 PolarHBondContact O-N 3.03Å; R725-R728 PolarHBondContact O-N 3.36Å; R725-Y729 WeakPolarHBondContact O-CB 3.49Å; R725-Y729 PolarHBondContact O-N 3.44Å
726	V	74.2	Confident	68.4	Low	85 Å²	85	130.5 Å²	130.5	52%	0.515	59%	0.592	S	S	.	*	H	α-helix	trans	-61.6	-46.7	177.6	175.4	0	0	0	0	110.8	K722 L723 R728 Y729 L730	K722-V726 WeakPolarHBondContact O-CG2 3.23Å; K722-V726 PolarHBondContact O-N 3.3Å; K722-V726 VanDerWaalsContact O-N 3.13Å; L723-V726 PolarHBondContact O-N 2.95Å; V726-R728 PolarHBondContact O-N 3.05Å; V726-R728 VanDerWaalsContact C-N 3.33Å; V726-Y729 PolarHBondContact O-N 3.39Å; V726-L730 HydrophobicContact CG1-CD1 4.01Å; V726-L730 WeakPolarHBondContact O-CG 3.35Å; V726-L730 PolarHBondContact O-N 3.39Å
727	Y	77.2	Confident	69.2	Low	149 Å²	149	130.2 Å²	130.2	58%	0.584	59%	0.59	S	S	*	*	H	α-helix	trans	-65.5	-34.5	176.4	-73.6	-59.2	0	0	0	113.2	L723 D731	L723-Y727 HydrophobicContact CB-CE2 4.5Å; L723-Y727 HydrophobicContact CD2-CE2 3.88Å; L723-Y727 HydrophobicContact CG-CD2 4.47Å; L723-Y727 HydrophobicContact CG-CE2 3.94Å; L723-Y727 WeakPolarHBondContact O-CD2 3.38Å; L723-Y727 PolarHBondContact O-N 3.44Å; Y727-D731 WeakPolarHBondContact O-CB 3.45Å; Y727-D731 PolarHBondContact O-N 3.47Å
728	R	75.3	Confident	70	Confident	159 Å²	159	129.1 Å²	129.1	60%	0.6	59%	0.586	S	S	*	*	H	α-helix	trans	-68	-39.5	176.6	-154.8	-170.7	-73.3	172.6	-3.9	111.7	R724 R725 V726 D731 E732	R724-R728 WeakPolarHBondContact O-CB 3.48Å; R724-R728 PolarHBondContact O-N 3.02Å; R725-R728 PolarHBondContact O-N 3.36Å; V726-R728 PolarHBondContact O-N 3.05Å; V726-R728 VanDerWaalsContact C-N 3.33Å; R728-D731 PolarHBondContact O-N 3.04Å; R728-E732 PolarHBondContact O-N 2.96Å
729	Y	74.8	Confident	70.5	Confident	141 Å²	141	127.1 Å²	127.1	55%	0.553	58%	0.579	S	S	*	*	H	α-helix	trans	-66.8	-39.3	175.8	-174.9	-98.5	0	0	0	112.5	R725 V726 E732 H733	R725-Y729 WeakPolarHBondContact O-CB 3.49Å; R725-Y729 PolarHBondContact O-N 3.44Å; V726-Y729 PolarHBondContact O-N 3.39Å; Y729-E732 PolarHBondContact O-N 3.47Å; Y729-H733 AromaticContact CE2-CD2 3.93Å; Y729-H733 PolarHBondContact OH-NE2 3.27Å; Y729-H733 PolarHBondContact O-N 2.77Å; Y729-H733 AromaticContact CZ-NE2 3.15Å; Y729-H733 VanDerWaalsContact CZ-CD2 3.41Å; Y729-H733 AromaticContact CZ-CD2 3.41Å; Y729-H733 AromaticContact CE2-NE2 3.82Å; Y729-H733 WeakPolarHBondContact CE1-NE2 3.45Å; Y729-H733 AromaticContact CE1-NE2 3.49Å; Y729-H733 WeakPolarHBondContact CE1-CD2 3.35Å; Y729-H733 AromaticContact CE1-CD2 3.35Å; Y729-H733 AromaticContact CD1-CD2 3.83Å
730	L	72.3	Confident	71.5	Confident	95 Å²	95	129.9 Å²	129.9	50%	0.497	58%	0.582	S	S	.	*	H	α-helix	trans	-67.7	-40.8	174.9	-71.5	168.1	0	0	0	112.1	V726 E732 H733 E734	V726-L730 HydrophobicContact CG1-CD1 4.01Å; V726-L730 WeakPolarHBondContact O-CG 3.35Å; V726-L730 PolarHBondContact O-N 3.39Å; L730-E732 VanDerWaalsContact C-N 3.29Å; L730-E732 PolarHBondContact O-N 3.21Å; L730-H733 PolarHBondContact O-N 3.43Å; L730-E734 PolarHBondContact O-N 3.15Å
731	D	72.9	Confident	71.9	Confident	67 Å²	67	128.9 Å²	128.9	36%	0.358	58%	0.579	S	S	.	*	H	α-helix	trans	-65.2	-30.7	174.4	-93.9	6	0	0	0	111.9	R687 Y727 R728 R735	R687-D731 IonicContact NH2-OD2 3.85Å; R687-D731 PolarHBondContact NH2-OD2 3.47Å; Y727-D731 WeakPolarHBondContact O-CB 3.45Å; Y727-D731 PolarHBondContact O-N 3.47Å; R728-D731 PolarHBondContact O-N 3.04Å; D731-R735 WeakPolarHBondContact O-CG 3.46Å
732	E	74.6	Confident	72	Confident	115 Å²	115	132.9 Å²	132.9	54%	0.537	60%	0.595	S	S	.	*	H	α-helix	trans	-72.4	-41.5	174	-90.6	170.4	179	0	0	112.2	R728 Y729 L730 R735 T736	R728-E732 PolarHBondContact O-N 2.96Å; Y729-E732 PolarHBondContact O-N 3.47Å; L730-E732 VanDerWaalsContact C-N 3.29Å; L730-E732 PolarHBondContact O-N 3.21Å; E732-R735 PolarHBondContact O-N 3.41Å; E732-T736 PolarHBondContact O-N 3.25Å
733	H	72.7	Confident	72.2	Confident	102 Å²	102	130.9 Å²	130.9	47%	0.472	59%	0.588	S	S	.	*	H	α-helix	trans	-70.6	-27.5	176.7	-95.2	-83.4	0	0	0	114	Y729 L730 R735 T736	Y729-H733 AromaticContact CE2-CD2 3.93Å; Y729-H733 PolarHBondContact OH-NE2 3.27Å; Y729-H733 PolarHBondContact O-N 2.77Å; Y729-H733 AromaticContact CZ-NE2 3.15Å; Y729-H733 VanDerWaalsContact CZ-CD2 3.41Å; Y729-H733 AromaticContact CZ-CD2 3.41Å; Y729-H733 AromaticContact CE2-NE2 3.82Å; Y729-H733 WeakPolarHBondContact CE1-NE2 3.45Å; Y729-H733 AromaticContact CE1-NE2 3.49Å; Y729-H733 WeakPolarHBondContact CE1-CD2 3.35Å; Y729-H733 AromaticContact CE1-CD2 3.35Å; Y729-H733 AromaticContact CD1-CD2 3.83Å; L730-H733 PolarHBondContact O-N 3.43Å; H733-R735 VanDerWaalsContact C-N 3.29Å; H733-T736 PolarHBondContact O-OG1 3.43Å
734	E	65.4	Low	72.2	Confident	141 Å²	141	133.5 Å²	133.5	66%	0.659	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-18	172.7	-96.1	-168.9	172.9	0	0	113.2	K684 L730	K684-E734 IonicContact NZ-OE2 3.44Å; L730-E734 PolarHBondContact O-N 3.15Å
735	R	68.4	Low	72.1	Confident	214 Å²	214	133.3 Å²	133.3	81%	0.808	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-21.1	-179.9	-77.1	176	176.9	-177.9	-2.5	113.7	D731 E732 H733	D731-R735 WeakPolarHBondContact O-CG 3.46Å; E732-R735 PolarHBondContact O-N 3.41Å; H733-R735 VanDerWaalsContact C-N 3.29Å
736	T	59.3	Low	71.6	Confident	159 Å²	159	129.7 Å²	129.7	98%	0.975	60%	0.596	S	S	*	*			trans	-90.9	0	173.3	52.8	0	0	0	0	110.7	E732 H733	E732-T736 PolarHBondContact O-N 3.25Å; H733-T736 PolarHBondContact O-OG1 3.43Å

Retrieved 736 of 736 residues in 1451.5 ms (Link to these results)

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