A0A3Q0KE80_SCHMA Loading...

DNA topoisomerase I

Releases the supercoiling and torsional tension of DNA introduced during the DNA replication and transcription by transiently cleaving and rejoining one strand of the DNA duplex. Introduces a single-strand break via transesterification at the specific target site 5'-[CT]CCTTp site in duplex DNA. The scissile phosphodiester is attacked by the catalytic tyrosine of the enzyme, resulting in the formation of a DNA-(3'-phosphotyrosyl)-enzyme intermediate and the expulsion of a 5'-OH DNA strand. The free DNA strand then undergoes passage around the unbroken strand thus removing DNA supercoils. Finally, in the religation step, the DNA 5'-OH attacks the covalent intermediate to expel the active-site tyrosine and restore the DNA phosphodiester backbone.

AlphaFold DB , UniProt , Accession A0A3Q0KE80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 702 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	33.6	Very low	32.5	Very low	235 Å²	235	138.7 Å²	138.7	100%	1.158	80%	0.799	S	S	*	*				0	120	0	-72.4	179.9	-169.9	0	0	107.5
2	T	35.9	Very low	32.2	Very low	149 Å²	149	133.7 Å²	133.7	91%	0.914	80%	0.799	S	S	*	*			trans	45.9	123.5	161.5	59.6	0	0	0	0	118.2
3	G	34.6	Very low	31.9	Very low	65 Å²	65	135.2 Å²	135.2	67%	0.67	80%	0.801	S	S	*	*			cis	150.4	123.6	15.5	0	0	0	0	0	105.5
4	V	36.3	Very low	31.6	Very low	131 Å²	131	131.1 Å²	131.1	79%	0.794	80%	0.801	S	S	*	*				90.2	113.6	89.2	166.3	0	0	0	0	113.9
5	L	34.4	Very low	31.3	Very low	140 Å²	140	130.1 Å²	130.1	73%	0.733	80%	0.796	S	S	*	*			trans	83.8	118.6	139.3	-65.4	169.7	0	0	0	124.5
6	N	32.2	Very low	31.3	Very low	130 Å²	130	129.4 Å²	129.4	70%	0.695	80%	0.798	S	S	*	*				64.7	138.1	119.8	-74.3	3.2	0	0	0	125.3
7	N	32.6	Very low	31.1	Very low	137 Å²	137	130.8 Å²	130.8	73%	0.733	80%	0.799	S	S	*	*			trans	116.4	98.8	135.6	-74.1	-14.9	0	0	0	120.9
8	V	29.7	Very low	31.1	Very low	126 Å²	126	128.7 Å²	128.7	76%	0.764	80%	0.797	S	S	*	*				53.3	127.2	114	-176.8	0	0	0	0	122.4
9	S	27.7	Very low	31	Very low	97 Å²	97	126.5 Å²	126.5	68%	0.678	79%	0.787	S	S	*	*			trans	85.2	116.6	146.8	70.2	0	0	0	0	121.6
10	H	32	Very low	31.3	Very low	185 Å²	185	124.9 Å²	124.9	86%	0.856	77%	0.772	S	S	*	*				-172.2	148.4	110.6	-119.6	58.7	0	0	0	113.4
11	V	28.7	Very low	31.2	Very low	131 Å²	131	127.7 Å²	127.7	79%	0.794	77%	0.773	S	S	*	*			trans	-85.5	141.7	-171.3	-174.4	0	0	0	0	110.7
12	G	28.8	Very low	30.9	Very low	78 Å²	78	119.9 Å²	119.9	80%	0.804	75%	0.746	S	S	*	*			trans	-136.5	98.6	170.5	0	0	0	0	0	111.6
13	N	28.6	Very low	30.5	Very low	153 Å²	153	120.1 Å²	120.1	82%	0.818	74%	0.737	S	S	*	*			trans	-68.6	126.8	173	-105.4	-11.9	0	0	0	110.8
14	G	27.1	Very low	30.5	Very low	78 Å²	78	120.8 Å²	120.8	80%	0.804	72%	0.722	S	S	*	*			trans	-121	85.8	168.4	0	0	0	0	0	111	S16	G14-S16 PolarHBondContact O-N 2.65Å
15	T	27.8	Very low	30.4	Very low	117 Å²	117	119.9 Å²	119.9	72%	0.718	71%	0.713	S	S	*	*			trans	-80.7	105.7	170.6	44.6	0	0	0	0	109.9	N17	T15-N17 PolarHBondContact O-N 3.11Å
16	S	30.7	Very low	30.4	Very low	119 Å²	119	120.4 Å²	120.4	83%	0.832	72%	0.717	S	S	*	*			trans	-80.1	97.5	167.5	59.3	0	0	0	0	109.9	G14 A18	G14-S16 PolarHBondContact O-N 2.65Å; S16-A18 PolarHBondContact O-N 3.48Å; S16-A18 VanDerWaalsContact O-N 3.11Å
17	N	28.3	Very low	30.4	Very low	153 Å²	153	117.8 Å²	117.8	82%	0.818	70%	0.702	S	S	*	*			trans	-63.8	103	168.7	-85.7	-23.2	0	0	0	110	T15 S19	T15-N17 PolarHBondContact O-N 3.11Å; N17-S19 VanDerWaalsContact C-N 3.34Å; N17-S19 PolarHBondContact O-N 2.84Å
18	A	31.1	Very low	30.3	Very low	93 Å²	93	112.8 Å²	112.8	77%	0.769	68%	0.677	S	S	*	*			trans	-74.6	91.5	162.5	0	0	0	0	0	108.1	S16 I20	S16-A18 PolarHBondContact O-N 3.48Å; S16-A18 VanDerWaalsContact O-N 3.11Å; A18-I20 PolarHBondContact O-N 2.72Å; A18-I20 VanDerWaalsContact O-N 3.11Å
19	S	28	Very low	30.4	Very low	87 Å²	87	110.4 Å²	110.4	61%	0.608	66%	0.659	S	S	*	*			trans	-54.1	114	179.7	-164.6	0	0	0	0	110.7	N17 K21	N17-S19 VanDerWaalsContact C-N 3.34Å; N17-S19 PolarHBondContact O-N 2.84Å; S19-K21 PolarHBondContact O-N 3.18Å
20	I	38.2	Very low	30.9	Very low	93 Å²	93	106.5 Å²	106.5	48%	0.477	63%	0.632	S	S	.	*			trans	-67.8	90.9	158	-64.6	115.4	0	0	0	105.6	A18 A22 R316	A18-I20 PolarHBondContact O-N 2.72Å; A18-I20 VanDerWaalsContact O-N 3.11Å; I20-A22 PolarHBondContact O-N 3.43Å; I20-R316 VanDerWaalsContact CG2-NH1 3.27Å
21	K	28.6	Very low	30.9	Very low	185 Å²	185	103.5 Å²	103.5	80%	0.804	62%	0.618	S	S	*	*			trans	-77.6	115.8	170.3	-79.9	-169.7	172.3	-173.7	0	108.8	S19	S19-K21 PolarHBondContact O-N 3.18Å
22	A	28.2	Very low	31.2	Very low	70 Å²	70	100.5 Å²	100.5	58%	0.579	60%	0.595	S	S	*	*			trans	-64.1	132.8	160.6	0	0	0	0	0	108.9	I20	I20-A22 PolarHBondContact O-N 3.43Å
23	E	27.2	Very low	31.4	Very low	154 Å²	154	100.5 Å²	100.5	72%	0.72	58%	0.576	S	S	*	*			trans	160.5	76.9	158.8	-91.2	168.2	-155.3	0	0	106.8	D25	E23-D25 PolarHBondContact O-N 3.05Å
24	E	34	Very low	31.8	Very low	79 Å²	79	98.7 Å²	98.7	37%	0.369	56%	0.561	S	S	.	*			trans	-80	9.6	-176	-111.2	-166.8	-166.4	0	0	113.9	K32 V321	E24-K32 WeakPolarHBondContact O-CE 3.3Å; E24-K32 PolarHBondContact O-NZ 3.04Å; E24-V321 HydrophobicContact CG-CG1 4.47Å
25	D	33.8	Very low	32	Very low	113 Å²	113	103.5 Å²	103.5	60%	0.604	56%	0.555	S	S	*	*	S	Bend	trans	-115.7	-16.7	-174.2	-73.2	-37.9	0	0	0	116.6	E23	E23-D25 PolarHBondContact O-N 3.05Å
26	D	34.5	Very low	32.1	Very low	151 Å²	151	100.2 Å²	100.2	81%	0.807	54%	0.537	S	S	*	.	S	Bend	trans	-117	1.8	-176.3	-89	-40.1	0	0	0	117.3
27	I	32.6	Very low	32	Very low	74 Å²	74	97.8 Å²	97.8	38%	0.379	51%	0.509	S	S	.	.	S	Bend	trans	-91.6	129.3	178.8	-49.8	174.7	0	0	0	110.5	L29 E31 K32	I27-L29 PolarHBondContact O-N 2.85Å; I27-E31 HydrophobicContact CG2-CB 3.73Å; I27-E31 HydrophobicContact CG2-CG 4.47Å; I27-E31 WeakPolarHBondContact CG2-OE2 3.5Å; I27-K32 WeakPolarHBondContact O-CE 3.41Å; I27-K32 PolarHBondContact O-NZ 3.2Å
28	P	31.5	Very low	32	Very low	33 Å²	33	97.2 Å²	97.2	21%	0.214	50%	0.503	C	S	.	.			trans	-48.2	137.9	176.4	-27.3	33.9	0	0	0	112.4	S30 E31 K32	P28-S30 WeakPolarHBondContact CB-OG 3.5Å; P28-S30 PolarHBondContact O-N 3.49Å; P28-E31 PolarHBondContact O-N 3.05Å; P28-K32 PolarHBondContact O-N 3.13Å
29	L	31.2	Very low	31.9	Very low	75 Å²	75	95.3 Å²	95.3	39%	0.393	48%	0.479	S	S	.	.	H	α-helix	trans	-51.5	-24.9	177.9	-165.7	72.8	0	0	0	112.5	I27 L33 K497	I27-L29 PolarHBondContact O-N 2.85Å; L29-L33 HydrophobicContact CD2-CD1 4.44Å; L29-L33 HydrophobicContact CG-CD1 4.07Å; L29-L33 HydrophobicContact CG-CG 4.5Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 VanDerWaalsContact O-CD1 3.26Å; L29-L33 WeakPolarHBondContact O-CD1 3.43Å; L29-L33 WeakPolarHBondContact O-CG 3.32Å; L29-L33 PolarHBondContact O-N 3.41Å; L29-K497 HydrophobicContact CD2-CD 4.01Å
30	S	37.4	Very low	31.8	Very low	15 Å²	15	95.1 Å²	95.1	11%	0.105	48%	0.477	C	S	.	.	H	α-helix	trans	-64.1	-38.2	175.9	42.8	0	0	0	0	113.8	P28 T481	P28-S30 WeakPolarHBondContact CB-OG 3.5Å; P28-S30 PolarHBondContact O-N 3.49Å; S30-T481 PolarHBondContact OG-OG1 3.48Å; S30-T481 VanDerWaalsContact OG-OG1 3.13Å
31	E	32.6	Very low	31.2	Very low	122 Å²	122	93.9 Å²	93.9	57%	0.57	48%	0.476	S	S	*	.	H	α-helix	trans	-80.7	-34	175	-77.1	-166.7	153.3	0	0	112.2	I27 P28 L33 K34	I27-E31 HydrophobicContact CG2-CB 3.73Å; I27-E31 HydrophobicContact CG2-CG 4.47Å; I27-E31 WeakPolarHBondContact CG2-OE2 3.5Å; P28-E31 PolarHBondContact O-N 3.05Å; E31-L33 PolarHBondContact O-N 2.75Å; E31-K34 PolarHBondContact O-N 2.79Å
32	K	34.3	Very low	31	Very low	68 Å²	68	88.3 Å²	88.3	30%	0.296	46%	0.461	S	S	.	.	H	α-helix	trans	-60.2	-35.3	171.8	-71.1	177.4	178.6	164.2	0	111.8	E24 I27 P28 R35 S36	E24-K32 WeakPolarHBondContact O-CE 3.3Å; E24-K32 PolarHBondContact O-NZ 3.04Å; I27-K32 WeakPolarHBondContact O-CE 3.41Å; I27-K32 PolarHBondContact O-NZ 3.2Å; P28-K32 PolarHBondContact O-N 3.13Å; K32-R35 PolarHBondContact O-N 3.01Å; K32-S36 PolarHBondContact O-N 3.32Å; K32-S36 PolarHBondContact O-OG 3.16Å
33	L	34.5	Very low	30.8	Very low	78 Å²	78	88.8 Å²	88.8	41%	0.408	46%	0.46	S	S	.	.	H	α-helix	trans	-73.1	-25.2	178.7	-78.7	162	0	0	0	114.1	L29 E31 R35	L29-L33 HydrophobicContact CD2-CD1 4.44Å; L29-L33 HydrophobicContact CG-CD1 4.07Å; L29-L33 HydrophobicContact CG-CG 4.5Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 VanDerWaalsContact O-CD1 3.26Å; L29-L33 WeakPolarHBondContact O-CD1 3.43Å; L29-L33 WeakPolarHBondContact O-CG 3.32Å; L29-L33 PolarHBondContact O-N 3.41Å; E31-L33 PolarHBondContact O-N 2.75Å; L33-R35 VanDerWaalsContact C-N 3.28Å; L33-R35 PolarHBondContact O-N 2.82Å
34	K	35.4	Very low	30.9	Very low	116 Å²	116	86 Å²	86	50%	0.504	45%	0.45	S	S	.	.	H	α-helix	trans	-68.1	-29.9	174.2	-74.6	-165.2	176.2	-163.4	0	111.8	E31	E31-K34 PolarHBondContact O-N 2.79Å
35	R	33	Very low	30.6	Very low	178 Å²	178	87.5 Å²	87.5	67%	0.672	46%	0.461	S	S	*	.	H	α-helix	trans	-97.3	-18.2	-177.9	-71.8	-178.5	173	-178.3	-1.4	115.1	K32 L33 F335	K32-R35 PolarHBondContact O-N 3.01Å; L33-R35 VanDerWaalsContact C-N 3.28Å; L33-R35 PolarHBondContact O-N 2.82Å; R35-F335 PolarHBondContact O-N 3.31Å; R35-F335 VanDerWaalsContact O-N 3.11Å
36	S	29.4	Very low	30.3	Very low	49 Å²	49	88.6 Å²	88.6	34%	0.343	47%	0.467	S	S	.	.			trans	-117.6	71.4	179.7	78.3	0	0	0	0	112.4	K32 M38	K32-S36 PolarHBondContact O-N 3.32Å; K32-S36 PolarHBondContact O-OG 3.16Å; S36-M38 PolarHBondContact O-N 3.14Å
37	R	28.9	Very low	30.2	Very low	68 Å²	68	88.3 Å²	88.3	26%	0.257	47%	0.465	S	S	.	.			trans	-89.7	93.5	167.6	-79.5	-171.9	178	135.4	-1.7	110.5	H39 E408	R37-H39 PolarHBondContact O-N 3.47Å; R37-E408 IonicContact CZ-OE1 2.67Å; R37-E408 IonicContact CZ-OE2 3.28Å; R37-E408 IonicContact NE-OE2 2.89Å; R37-E408 IonicContact NH1-OE1 3.95Å; R37-E408 PolarHBondContact NH1-OE1 2.64Å; R37-E408 IonicContact NH1-OE2 3.94Å; R37-E408 PolarHBondContact NH1-OE2 3.15Å; R37-E408 VanDerWaalsContact NH1-OE2 3.13Å; R37-E408 IonicContact NH2-OE1 2.77Å; R37-E408 PolarHBondContact NH2-OE1 3.36Å; R37-E408 IonicContact NH2-OE2 3.75Å; R37-E408 PolarHBondContact NH2-OE2 2.91Å
38	M	27.4	Very low	30	Very low	141 Å²	141	89.1 Å²	89.1	70%	0.695	47%	0.469	S	S	*	.			trans	-68.2	88.3	156.3	-77.1	-174.6	76.4	0	0	108.7	S36 S40	S36-M38 PolarHBondContact O-N 3.14Å; M38-S40 PolarHBondContact O-N 2.87Å
39	H	29.7	Very low	29.9	Very low	53 Å²	53	91.5 Å²	91.5	25%	0.245	49%	0.485	C	S	.	.			trans	-68	112.3	156.6	-98.8	-53	0	0	0	108	R37 S41	R37-H39 PolarHBondContact O-N 3.47Å; H39-S41 VanDerWaalsContact C-N 3.31Å; H39-S41 PolarHBondContact O-N 3.26Å
40	S	25.1	Very low	30	Very low	83 Å²	83	94.4 Å²	94.4	58%	0.58	50%	0.5	S	S	*	.			trans	-68.3	95.3	160.7	52.5	0	0	0	0	107.8	M38 S42 R275	M38-S40 PolarHBondContact O-N 2.87Å; S40-S42 PolarHBondContact O-N 3.15Å; S40-S42 VanDerWaalsContact O-N 3.14Å; S40-R275 PolarHBondContact O-NH2 2.79Å; S40-R275 PolarHBondContact OG-NH2 2.59Å
41	S	25.2	Very low	29.8	Very low	66 Å²	66	97.3 Å²	97.3	46%	0.462	52%	0.52	S	S	.	.			trans	-65.2	109.5	163.1	56.7	0	0	0	0	107.2	H39 S43	H39-S41 VanDerWaalsContact C-N 3.31Å; H39-S41 PolarHBondContact O-N 3.26Å; S41-S43 VanDerWaalsContact C-N 3.34Å; S41-S43 PolarHBondContact O-N 2.66Å
42	S	24.4	Very low	30	Very low	69 Å²	69	93.4 Å²	93.4	48%	0.483	51%	0.509	S	S	.	.			trans	-58.2	100.2	163.4	-176.6	0	0	0	0	107.3	S40 D44	S40-S42 PolarHBondContact O-N 3.15Å; S40-S42 VanDerWaalsContact O-N 3.14Å; S42-D44 PolarHBondContact O-N 3.44Å
43	S	24.4	Very low	30.1	Very low	80 Å²	80	95 Å²	95	56%	0.559	52%	0.516	S	S	*	.			trans	-65.3	125	160.9	177.4	0	0	0	0	106.6	S41 D45	S41-S43 VanDerWaalsContact C-N 3.34Å; S41-S43 PolarHBondContact O-N 2.66Å; S43-D45 PolarHBondContact O-N 2.74Å
44	D	28.8	Very low	30.2	Very low	94 Å²	94	96.6 Å²	96.6	50%	0.503	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	32	-173.6	-71.6	-32.8	0	0	0	114.8	S42 R273	S42-D44 PolarHBondContact O-N 3.44Å; D44-R273 IonicContact OD1-CZ 3.16Å; D44-R273 VanDerWaalsContact OD1-CZ 3.27Å; D44-R273 IonicContact OD1-NH1 3.88Å; D44-R273 PolarHBondContact OD1-NH1 2.83Å; D44-R273 IonicContact OD1-NH2 2.86Å; D44-R273 PolarHBondContact OD1-NH2 3.36Å; D44-R273 IonicContact OD2-CZ 3.73Å; D44-R273 VanDerWaalsContact OD2-CZ 3.25Å; D44-R273 IonicContact OD2-NH1 3.8Å; D44-R273 PolarHBondContact OD2-NH1 2.79Å; D44-R273 IonicContact OD2-NH2 2.72Å; D44-R273 PolarHBondContact OD2-NH2 2.94Å
45	D	28.2	Very low	30.4	Very low	112 Å²	112	93.6 Å²	93.6	60%	0.599	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	2.9	179.7	-120.4	-31.5	0	0	0	114.1	S43	S43-D45 PolarHBondContact O-N 2.74Å
46	D	28.1	Very low	30.7	Very low	136 Å²	136	93 Å²	93	73%	0.727	53%	0.526	S	S	*	.			trans	-105.6	3.7	-177.5	-76.7	-37.4	0	0	0	115.4	I48	D46-I48 PolarHBondContact O-N 3.1Å
47	D	31.4	Very low	31.1	Very low	144 Å²	144	98.8 Å²	98.8	77%	0.77	55%	0.55	S	S	*	.			trans	-81.4	11.1	177.9	-88.6	-28.6	0	0	0	114.8
48	I	29.3	Very low	31.5	Very low	92 Å²	92	99.9 Å²	99.9	47%	0.472	57%	0.568	S	S	.	*	S	Bend	trans	-106.2	114.9	171.3	-55.7	174.5	0	0	0	108.4	D46 L50 A52	D46-I48 PolarHBondContact O-N 3.1Å; I48-L50 PolarHBondContact O-N 3.46Å; I48-A52 HydrophobicContact CG2-CB 3.65Å
49	P	29.6	Very low	31.9	Very low	83 Å²	83	101.6 Å²	101.6	54%	0.539	57%	0.571	S	S	.	*			trans	-50.1	133.6	172.7	-24.9	32.6	0	0	0	110.2	S51 A52	P49-S51 WeakPolarHBondContact CB-OG 3.31Å; P49-S51 PolarHBondContact O-N 2.94Å; P49-A52 WeakPolarHBondContact O-CB 3.37Å; P49-A52 PolarHBondContact O-N 3.27Å
50	L	32.5	Very low	32	Very low	136 Å²	136	108.5 Å²	108.5	71%	0.712	60%	0.601	S	S	*	*	H	α-helix	trans	-51.9	-24.6	177.4	-154.4	78.7	0	0	0	112.4	I48 K53 L54	I48-L50 PolarHBondContact O-N 3.46Å; L50-K53 PolarHBondContact O-N 3.43Å; L50-L54 PolarHBondContact O-N 2.82Å; L50-L54 VanDerWaalsContact O-N 3.14Å
51	S	33.6	Very low	32.4	Very low	75 Å²	75	110.1 Å²	110.1	52%	0.524	61%	0.609	S	S	.	*	H	α-helix	trans	-66.7	-27.1	173.1	56.4	0	0	0	0	114.7	P49 A55	P49-S51 WeakPolarHBondContact CB-OG 3.31Å; P49-S51 PolarHBondContact O-N 2.94Å; S51-A55 WeakPolarHBondContact O-CB 3.18Å; S51-A55 PolarHBondContact O-N 3.43Å
52	A	37.6	Very low	33	Very low	41 Å²	41	116.6 Å²	116.6	34%	0.339	63%	0.629	S	S	.	*	H	α-helix	trans	-80.5	-33.8	173.5	0	0	0	0	0	112.4	I48 P49	I48-A52 HydrophobicContact CG2-CB 3.65Å; P49-A52 WeakPolarHBondContact O-CB 3.37Å; P49-A52 PolarHBondContact O-N 3.27Å
53	K	35	Very low	33.6	Very low	101 Å²	101	121.2 Å²	121.2	44%	0.439	65%	0.647	S	S	.	*	H	α-helix	trans	-65.6	-37.3	171.3	-93.3	175.4	176.1	165.2	0	112	L50	L50-K53 PolarHBondContact O-N 3.43Å
54	L	36.7	Very low	34.2	Very low	111 Å²	111	125.6 Å²	125.6	58%	0.581	66%	0.659	S	S	*	*	H	α-helix	trans	-75.9	-27.6	178.4	-76.8	161.6	0	0	0	114.2	L50 S58	L50-L54 PolarHBondContact O-N 2.82Å; L50-L54 VanDerWaalsContact O-N 3.14Å; L54-S58 PolarHBondContact O-OG 3.41Å
55	A	39.4	Very low	34.7	Very low	54 Å²	54	126.5 Å²	126.5	45%	0.446	67%	0.67	S	S	.	*	H	α-helix	trans	-76.2	-21.7	178.5	0	0	0	0	0	113.7	S51	S51-A55 WeakPolarHBondContact O-CB 3.18Å; S51-A55 PolarHBondContact O-N 3.43Å
56	Q	39.9	Very low	35.3	Very low	166 Å²	166	126.7 Å²	126.7	78%	0.776	68%	0.677	S	S	*	*	H	α-helix	trans	-85	-27.6	174.8	-75.7	-179	-15	0	0	112.6	S58	Q56-S58 VanDerWaalsContact C-N 3.29Å; Q56-S58 PolarHBondContact O-N 3.01Å
57	M	37.6	Very low	35.6	Very low	170 Å²	170	127.3 Å²	127.3	84%	0.837	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-7.1	179.1	-65.9	-177.4	74.1	0	0	114.2
58	S	38.5	Very low	36.2	Very low	91 Å²	91	125.1 Å²	125.1	64%	0.636	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	4.2	-175	41.7	0	0	0	0	114.8	L54 Q56	L54-S58 PolarHBondContact O-OG 3.41Å; Q56-S58 VanDerWaalsContact C-N 3.29Å; Q56-S58 PolarHBondContact O-N 3.01Å
59	K	34.9	Very low	36.6	Very low	176 Å²	176	126.7 Å²	126.7	77%	0.765	70%	0.698	S	S	*	*			trans	-93.7	99.3	172.5	-71.5	-171.9	178.4	-175.1	0	111
60	K	31.9	Very low	37	Very low	199 Å²	199	130.7 Å²	130.7	87%	0.865	71%	0.709	S	S	*	*			trans	-58.4	127.8	157.3	-77.6	-177.2	174.3	-177.2	0	108	K62	K60-K62 PolarHBondContact O-N 3.47Å
61	P	34.3	Very low	37.2	Very low	116 Å²	116	130.5 Å²	130.5	75%	0.753	72%	0.716	S	S	*	*			trans	-69.7	116	172.2	26	-26.2	0	0	0	108.2	L63	P61-L63 PolarHBondContact O-N 3.04Å
62	K	36	Very low	37.2	Very low	202 Å²	202	137 Å²	137	88%	0.878	73%	0.729	S	S	*	*			trans	-73.3	108.7	157.4	-85.4	-175.8	173.1	-174.4	0	105.8	K60 E64	K60-K62 PolarHBondContact O-N 3.47Å; K62-E64 PolarHBondContact O-N 2.9Å
63	L	37	Very low	37.3	Very low	166 Å²	166	141.2 Å²	141.2	87%	0.869	75%	0.746	S	S	*	*			trans	-67.7	111	165.9	-82.7	140.4	0	0	0	107.7	P61	P61-L63 PolarHBondContact O-N 3.04Å
64	E	37.6	Very low	37.4	Very low	173 Å²	173	145.2 Å²	145.2	81%	0.808	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-88.9	136.6	156.8	-73.8	-177.4	170.8	0	0	107.9	K62	K62-E64 PolarHBondContact O-N 2.9Å
65	P	39.9	Very low	37.5	Very low	112 Å²	112	144.9 Å²	144.9	73%	0.727	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-74.9	147.3	-179.8	31.1	-31.3	0	0	0	110.5	V67	P65-V67 PolarHBondContact O-N 2.86Å
66	P	39.6	Very low	37.4	Very low	117 Å²	117	150.8 Å²	150.8	76%	0.76	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-75.8	128.7	-178.2	29.9	-30.7	0	0	0	111.1	S68	P66-S68 PolarHBondContact O-N 2.99Å
67	V	34.4	Very low	37.4	Very low	149 Å²	149	148.5 Å²	148.5	90%	0.903	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-63	120.4	167.7	176.6	0	0	0	0	108.6	P65	P65-V67 PolarHBondContact O-N 2.86Å
68	S	44.7	Very low	37.3	Very low	98 Å²	98	147 Å²	147	69%	0.685	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-104	137.9	174.1	-51.2	0	0	0	0	109.8	P66	P66-S68 PolarHBondContact O-N 2.99Å
69	P	38.1	Very low	37.4	Very low	124 Å²	124	152.2 Å²	152.2	81%	0.805	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-82.8	136	179.3	30.8	-27.3	0	0	0	111.3
70	Q	37	Very low	37.3	Very low	167 Å²	167	154.8 Å²	154.8	78%	0.78	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-65.6	149.3	171.3	-66.5	-167.6	-12.8	0	0	111
71	P	37.4	Very low	37.6	Very low	132 Å²	132	155.4 Å²	155.4	86%	0.857	81%	0.808	S	S	*	*				-137.9	165.5	101.5	30.6	-13.3	0	0	0	114.9
72	R	34.8	Very low	37.5	Very low	211 Å²	211	158.3 Å²	158.3	80%	0.796	81%	0.812	S	S	*	*			trans	-78.9	149.5	-164.6	-63.9	168.2	170.9	176.5	-5.3	114.7
73	N	38.9	Very low	37.7	Very low	130 Å²	130	159.6 Å²	159.6	70%	0.695	81%	0.812	S	S	*	*				117.9	116.8	130	-78.5	-23	0	0	0	118.9
74	K	37	Very low	37.7	Very low	186 Å²	186	156.7 Å²	156.7	81%	0.809	81%	0.806	S	S	*	*			trans	59.3	133.3	133.9	-62.5	179.5	179.6	-179.3	0	117
75	S	37.9	Very low	37.6	Very low	104 Å²	104	158.2 Å²	158.2	73%	0.727	81%	0.81	S	S	*	*			cis	-175	150.1	28.4	37.1	0	0	0	0	111.3
76	H	38.8	Very low	37.5	Very low	177 Å²	177	158.8 Å²	158.8	82%	0.819	81%	0.814	S	S	*	*			trans	37.7	124.6	148.6	-77.1	-63.5	0	0	0	122.5
77	S	38.4	Very low	37.2	Very low	118 Å²	118	158.3 Å²	158.3	83%	0.825	81%	0.813	S	S	*	*				173.1	146.1	86.9	44.8	0	0	0	0	112.6
78	D	36.5	Very low	37.2	Very low	139 Å²	139	158 Å²	158	74%	0.743	81%	0.806	S	S	*	*			trans	-69	155.3	-176.6	-71.5	-68.4	0	0	0	115.3
79	Q	40.5	Very low	37.1	Very low	200 Å²	200	162.5 Å²	162.5	94%	0.935	82%	0.817	S	S	*	*				-167.4	126.2	123.2	-103.5	171.4	54	0	0	113.1
80	R	33.2	Very low	36.8	Very low	231 Å²	231	165.4 Å²	165.4	87%	0.872	82%	0.817	S	S	*	*			trans	-80.4	157.3	173.8	-70	175	172.6	-174	-3	111.7
81	K	38.1	Very low	36.9	Very low	212 Å²	212	165.7 Å²	165.7	92%	0.922	82%	0.822	S	S	*	*			trans	-158.9	126.8	137	-106.7	170.4	-170.8	-178.8	0	111.9
82	E	32.5	Very low	36.7	Very low	177 Å²	177	168.7 Å²	168.7	83%	0.827	82%	0.821	S	S	*	*			trans	-79.2	168.8	172.5	-93.8	173.2	139.9	0	0	113
83	Y	39.1	Very low	36.7	Very low	228 Å²	228	168.8 Å²	168.8	89%	0.894	83%	0.828	S	S	*	*			trans	151.5	142.2	144.8	-84.6	-69.5	0	0	0	107.3
84	S	37.6	Very low	36.4	Very low	105 Å²	105	171.1 Å²	171.1	73%	0.734	83%	0.834	S	S	*	*			cis	-177	153	-21.4	40.6	0	0	0	0	105.5
85	K	35.1	Very low	36.2	Very low	205 Å²	205	168.7 Å²	168.7	89%	0.891	83%	0.83	S	S	*	*			trans	-86.8	168.6	178.1	-78.4	179.9	175.2	176.2	0	112.8
86	P	38.3	Very low	35.9	Very low	124 Å²	124	169.3 Å²	169.3	81%	0.805	83%	0.83	S	S	*	*				-135	154.3	124.9	26.2	-7.3	0	0	0	115.8
87	S	33.8	Very low	35.6	Very low	108 Å²	108	170 Å²	170	76%	0.755	84%	0.839	S	S	*	*			trans	-72.3	172.8	166.3	48.9	0	0	0	0	110.8
88	N	34.6	Very low	35.4	Very low	141 Å²	141	169.1 Å²	169.1	75%	0.754	83%	0.832	S	S	*	*			cis	-173.4	146.5	25.9	-141.4	2.1	0	0	0	106.9
89	E	40.7	Very low	35.2	Very low	194 Å²	194	167 Å²	167	91%	0.907	83%	0.829	S	S	*	*				171.9	147.9	127.1	-97.6	-173.1	166.3	0	0	114.3
90	K	33	Very low	35	Very low	184 Å²	184	164 Å²	164	80%	0.8	83%	0.826	S	S	*	*			trans	-95.5	139.9	-156.8	-66.6	160.9	170.1	167.8	0	112.6
91	I	39	Very low	35.1	Very low	173 Å²	173	157.6 Å²	157.6	89%	0.887	82%	0.817	S	S	*	*			trans	-139.9	124.6	139.5	-60.9	-174.9	0	0	0	109.5
92	K	32.3	Very low	34.8	Very low	195 Å²	195	157.2 Å²	157.2	85%	0.848	82%	0.815	S	S	*	*			trans	-69.2	138.3	-179.8	-74.2	171.7	168.7	179.4	0	112.2
93	K	35.8	Very low	34.9	Very low	214 Å²	214	155.4 Å²	155.4	93%	0.93	82%	0.816	S	S	*	*			trans	-157.8	123.6	137.3	-108.9	173.2	-174.8	-179.9	0	110.5
94	E	32.3	Very low	34.6	Very low	178 Å²	178	153.7 Å²	153.7	83%	0.832	81%	0.813	S	S	*	*			trans	-67.9	137.5	178.4	-64.9	161.6	140.2	0	0	111.5
95	N	32.6	Very low	34.3	Very low	136 Å²	136	158.1 Å²	158.1	73%	0.727	82%	0.819	S	S	*	*				165.9	119.9	102.7	-100.4	-28.1	0	0	0	113.3
96	T	32.9	Very low	34.3	Very low	117 Å²	117	157.3 Å²	157.3	72%	0.718	82%	0.818	S	S	*	*			trans	41.9	104.4	138	45.9	0	0	0	0	120.4	S98	T96-S98 PolarHBondContact O-N 3.11Å
97	L	30.9	Very low	34.2	Very low	192 Å²	192	160.4 Å²	160.4	100%	1.005	82%	0.822	S	S	*	*			trans	-67.7	100.6	160.8	-79.4	128.2	0	0	0	110.9
98	S	35.5	Very low	34.3	Very low	99 Å²	99	163.4 Å²	163.4	69%	0.692	82%	0.821	S	S	*	*			trans	-109.9	136.1	163.4	60.2	0	0	0	0	110.8	T96	T96-S98 PolarHBondContact O-N 3.11Å
99	S	32.5	Very low	34.6	Very low	95 Å²	95	162.2 Å²	162.2	66%	0.664	82%	0.821	S	S	*	*			trans	-26	147	171.8	40.6	0	0	0	0	117.2	S101	S99-S101 PolarHBondContact O-N 3.29Å
100	P	35.5	Very low	35.2	Very low	137 Å²	137	162 Å²	162	89%	0.89	82%	0.82	S	S	*	*			trans	-67.4	100.1	-177	28.1	-31.5	0	0	0	109.6
101	S	35.6	Very low	36.6	Very low	96 Å²	96	160.5 Å²	160.5	67%	0.671	82%	0.816	S	S	*	*			trans	-66.3	139.1	176.2	-69.4	0	0	0	0	109.8	S99 V103	S99-S101 PolarHBondContact O-N 3.29Å; S101-V103 PolarHBondContact O-N 3.27Å
102	K	31.6	Very low	38.2	Very low	204 Å²	204	161.1 Å²	161.1	89%	0.887	82%	0.816	S	S	*	*			trans	-39.9	109.3	171.7	-73	169.5	175.3	172	0	110.6	K104	K102-K104 PolarHBondContact O-N 3.01Å
103	V	34.5	Very low	40.6	Very low	138 Å²	138	155.8 Å²	155.8	84%	0.836	80%	0.799	S	S	*	*			trans	-57.9	111.2	166	176.9	0	0	0	0	106.7	S101 K105	S101-V103 PolarHBondContact O-N 3.27Å; V103-K105 PolarHBondContact O-N 3.27Å
104	K	32.8	Very low	43.2	Very low	192 Å²	192	147 Å²	147	84%	0.835	76%	0.76	S	S	*	*			trans	-50	116.4	166.6	-86.1	179	172.9	-179.9	0	106.5	K102 Q106	K102-K104 PolarHBondContact O-N 3.01Å; K104-Q106 PolarHBondContact O-N 3.11Å
105	K	32	Very low	46	Very low	199 Å²	199	144.6 Å²	144.6	87%	0.865	74%	0.743	S	S	*	*			trans	-57.1	101.9	171.4	-159.7	-178.7	-173.5	-170.5	0	105.2	V103 E107	V103-K105 PolarHBondContact O-N 3.27Å; K105-E107 PolarHBondContact O-N 3.44Å
106	Q	33.2	Very low	48.9	Very low	187 Å²	187	138.9 Å²	138.9	87%	0.874	71%	0.712	S	S	*	*			trans	-50.2	119	168.6	-85.5	173.7	-25.3	0	0	106.2	K104 K108	K104-Q106 PolarHBondContact O-N 3.11Å; Q106-K108 PolarHBondContact O-N 3.24Å
107	E	36.5	Very low	51.6	Low	190 Å²	190	134.8 Å²	134.8	89%	0.888	68%	0.683	S	S	*	*			trans	-54.8	111.1	169.4	-80.3	169.6	164.2	0	0	106	K105	K105-E107 PolarHBondContact O-N 3.44Å
108	K	37.1	Very low	54.4	Low	170 Å²	170	128.6 Å²	128.6	74%	0.739	65%	0.649	S	S	*	*			trans	-58.4	134.5	161.3	-83.1	-174.3	166.8	-161.8	0	105.3	Q106 E110	Q106-K108 PolarHBondContact O-N 3.24Å; K108-E110 PolarHBondContact O-N 3.08Å; K108-E110 VanDerWaalsContact O-N 3.09Å
109	P	40.8	Very low	56.9	Low	116 Å²	116	127.5 Å²	127.5	75%	0.753	63%	0.633	S	S	*	*			trans	-48	126.5	171	20.7	-30.5	0	0	0	107.1	E111	P109-E111 PolarHBondContact O-N 2.98Å
110	E	53.2	Low	59.1	Low	190 Å²	190	131.5 Å²	131.5	89%	0.888	64%	0.641	S	S	*	*			trans	-52.8	112.8	176.5	-73.4	-172.5	153.9	0	0	106.3	K108 E112	K108-E110 PolarHBondContact O-N 3.08Å; K108-E110 VanDerWaalsContact O-N 3.09Å; E110-E112 PolarHBondContact O-N 2.89Å
111	E	63.3	Low	60.9	Low	152 Å²	152	129.6 Å²	129.6	71%	0.71	62%	0.619	S	S	*	*			trans	-58.1	116.5	177.4	-76.1	175.1	-179.9	0	0	106	P109 V113	P109-E111 PolarHBondContact O-N 2.98Å; E111-V113 WeakPolarHBondContact O-CG2 3.44Å; E111-V113 PolarHBondContact O-N 2.85Å
112	E	72.4	Confident	62.4	Low	187 Å²	187	132.2 Å²	132.2	87%	0.874	62%	0.618	S	S	*	*			trans	-52.8	108.4	-179.3	-172.2	-179.7	-176.8	0	0	109.2	E110 W114	E110-E112 PolarHBondContact O-N 2.89Å; E112-W114 PolarHBondContact O-N 3.22Å
113	V	82.5	Confident	64.2	Low	83 Å²	83	128.7 Å²	128.7	50%	0.503	61%	0.609	S	S	.	*			trans	-83.3	112.9	-177.6	179.6	0	0	0	0	107.4	E111 R115 W117 Q663	E111-V113 WeakPolarHBondContact O-CG2 3.44Å; E111-V113 PolarHBondContact O-N 2.85Å; V113-R115 PolarHBondContact O-N 3Å; V113-W117 HydrophobicContact CG1-CH2 4.07Å; V113-Q663 HydrophobicContact CG1-CG 4.14Å
114	W	89.9	Confident	66.3	Low	30 Å²	30	126.9 Å²	126.9	11%	0.114	59%	0.594	C	S	.	*			trans	-64.9	104.6	173.2	-177.9	23.3	0	0	0	110.8	E112 W116 E119 L254 H257 Q259 R345	E112-W114 PolarHBondContact O-N 3.22Å; W114-W116 HydrophobicContact CD2-CB 4.18Å; W114-W116 HydrophobicContact CG-CB 4.43Å; W114-W116 HydrophobicContact CZ2-CB 4.49Å; W114-W116 PolarHBondContact O-N 3.29Å; W114-E119 PolarHBondContact NE1-OE1 3.01Å; W114-L254 HydrophobicContact CH2-CD2 4.43Å; W114-L254 HydrophobicContact CZ3-CD2 4.25Å; W114-H257 AromaticContact CD1-CE1 3.62Å; W114-H257 AromaticContact CD1-ND1 3.88Å; W114-H257 AromaticContact CD1-NE2 3.82Å; W114-H257 HydrophobicContact CD2-CB 3.91Å; W114-H257 AromaticContact CD2-CD2 3.61Å; W114-H257 AromaticContact CD2-CG 3.52Å; W114-H257 AromaticContact CD2-ND1 3.9Å; W114-H257 AromaticContact CE2-CD2 3.32Å; W114-H257 AromaticContact CE2-CG 3.76Å; W114-H257 AromaticContact CE2-NE2 3.54Å; W114-H257 HydrophobicContact CE3-CB 3.6Å; W114-H257 AromaticContact CE3-CD2 4Å; W114-H257 AromaticContact CE3-CG 3.75Å; W114-H257 HydrophobicContact CG-CB 4.43Å; W114-H257 AromaticContact CG-CE1 3.9Å; W114-H257 AromaticContact CG-CG 3.83Å; W114-H257 AromaticContact CG-ND1 3.68Å; W114-H257 HydrophobicContact CH2-CB 4.37Å; W114-H257 AromaticContact CH2-CD2 3.76Å; W114-H257 AromaticContact CZ2-CD2 3.41Å; W114-H257 VanDerWaalsContact CZ2-CD2 3.41Å; W114-H257 WeakPolarHBondContact CZ2-CD2 3.43Å; W114-H257 AromaticContact CZ2-NE2 3.89Å; W114-H257 HydrophobicContact CZ3-CB 3.83Å; W114-H257 AromaticContact NE1-CD2 3.76Å; W114-H257 AromaticContact NE1-CE1 3.75Å; W114-H257 AromaticContact NE1-NE2 3.45Å; W114-H257 PolarHBondContact NE1-NE2 2.99Å; W114-Q259 HydrophobicContact CE3-CG 4.33Å; W114-Q259 HydrophobicContact CZ3-CG 4.1Å; W114-R345 HydrophobicContact CE3-CB 4.11Å; W114-R345 HydrophobicContact CH2-CB 3.97Å; W114-R345 VanDerWaalsContact CH2-CD 3.49Å; W114-R345 HydrophobicContact CH2-CG 4.35Å; W114-R345 VanDerWaalsContact CH2-NE 3.32Å; W114-R345 HydrophobicContact CZ3-CB 3.72Å
115	R	91.6	Very high	68.8	Low	126 Å²	126	118.7 Å²	118.7	48%	0.475	57%	0.565	S	S	.	*			trans	-81.9	57.6	178.4	-58.7	-168.4	179.3	-179.1	5.4	112.1	V113 W117 E118	V113-R115 PolarHBondContact O-N 3Å; R115-W117 HydrophobicContact CB-CD2 4.49Å; R115-W117 HydrophobicContact CB-CZ2 3.91Å; R115-W117 HydrophobicContact CG-CH2 4.39Å; R115-W117 HydrophobicContact CG-CZ2 3.75Å; R115-W117 PolarHBondContact O-N 3.48Å; R115-E118 HydrophobicContact CB-CG 4.29Å; R115-E118 WeakPolarHBondContact CB-OE2 2.89Å; R115-E118 VanDerWaalsContact CD-CD 3.44Å; R115-E118 WeakPolarHBondContact CD-OE1 3.48Å; R115-E118 WeakPolarHBondContact CD-OE2 3.18Å; R115-E118 IonicContact CZ-OE1 3.62Å; R115-E118 IonicContact NE-OE1 3.72Å; R115-E118 IonicContact NH1-OE1 2.88Å; R115-E118 PolarHBondContact NH1-OE1 3.44Å; R115-E118 IonicContact NH1-OE2 3.11Å; R115-E118 WeakPolarHBondContact O-CB 3.05Å; R115-E118 PolarHBondContact O-N 3.44Å
116	W	92.1	Very high	71.7	Confident	17 Å²	17	111.6 Å²	111.6	6%	0.064	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-17.2	-178	58.6	-99.3	0	0	0	114.8	W114 E118 R345 G348 E349 W664	W114-W116 HydrophobicContact CD2-CB 4.18Å; W114-W116 HydrophobicContact CG-CB 4.43Å; W114-W116 HydrophobicContact CZ2-CB 4.49Å; W114-W116 PolarHBondContact O-N 3.29Å; W116-E118 VanDerWaalsContact C-N 3.33Å; W116-R345 HydrophobicContact CB-CB 3.84Å; W116-R345 HydrophobicContact CB-CG 3.54Å; W116-R345 HydrophobicContact CD2-CB 4.23Å; W116-R345 HydrophobicContact CD2-CG 4.02Å; W116-R345 HydrophobicContact CE3-CG 4.37Å; W116-R345 HydrophobicContact CG-CB 3.65Å; W116-R345 HydrophobicContact CG-CG 3.65Å; W116-G348 VanDerWaalsContact CH2-C 3.45Å; W116-E349 HydrophobicContact CE3-CB 4.36Å; W116-E349 HydrophobicContact CZ3-CB 4.04Å; W116-E349 HydrophobicContact CZ3-CG 4.46Å; W116-W664 HydrophobicContact CH2-CB 3.72Å; W116-W664 HydrophobicContact CH2-CD2 4.36Å; W116-W664 AromaticContact CH2-CG 3.76Å; W116-W664 HydrophobicContact CH2-CG 3.76Å; W116-W664 HydrophobicContact CZ2-CB 3.61Å; W116-W664 AromaticContact CZ2-CD1 3.73Å; W116-W664 AromaticContact CZ2-CG 3.77Å; W116-W664 HydrophobicContact CZ2-CG 3.77Å
117	W	90.7	Very high	74.5	Confident	31 Å²	31	104.8 Å²	104.8	12%	0.117	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-19.4	176.6	51	84.6	0	0	0	113.3	V113 R115 Q663 W664 D667 K688	V113-W117 HydrophobicContact CG1-CH2 4.07Å; R115-W117 HydrophobicContact CB-CD2 4.49Å; R115-W117 HydrophobicContact CB-CZ2 3.91Å; R115-W117 HydrophobicContact CG-CH2 4.39Å; R115-W117 HydrophobicContact CG-CZ2 3.75Å; R115-W117 PolarHBondContact O-N 3.48Å; W117-Q663 HydrophobicContact CH2-CB 4.12Å; W117-Q663 HydrophobicContact CH2-CG 3.75Å; W117-Q663 HydrophobicContact CZ2-CG 4.4Å; W117-W664 HydrophobicContact CB-CB 4.33Å; W117-W664 HydrophobicContact CD2-CB 3.67Å; W117-W664 HydrophobicContact CE3-CB 3.34Å; W117-W664 HydrophobicContact CG-CB 4.11Å; W117-W664 HydrophobicContact CZ3-CB 3.87Å; W117-D667 HydrophobicContact CZ2-CB 4.15Å; W117-D667 WeakPolarHBondContact CZ2-OD2 3.46Å; W117-K688 WeakPolarHBondContact O-CE 3.26Å
118	E	89	Confident	77.3	Confident	61 Å²	61	96 Å²	96	29%	0.285	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-21.5	173.8	-67.6	170	-177.7	0	0	111.2	R115 W116 L687 K688	R115-E118 HydrophobicContact CB-CG 4.29Å; R115-E118 WeakPolarHBondContact CB-OE2 2.89Å; R115-E118 VanDerWaalsContact CD-CD 3.44Å; R115-E118 WeakPolarHBondContact CD-OE1 3.48Å; R115-E118 WeakPolarHBondContact CD-OE2 3.18Å; R115-E118 IonicContact CZ-OE1 3.62Å; R115-E118 IonicContact NE-OE1 3.72Å; R115-E118 IonicContact NH1-OE1 2.88Å; R115-E118 PolarHBondContact NH1-OE1 3.44Å; R115-E118 IonicContact NH1-OE2 3.11Å; R115-E118 WeakPolarHBondContact O-CB 3.05Å; R115-E118 PolarHBondContact O-N 3.44Å; W116-E118 VanDerWaalsContact C-N 3.33Å; E118-L687 HydrophobicContact CG-CB 4.4Å; E118-L687 HydrophobicContact CG-CD1 4.36Å; E118-K688 WeakPolarHBondContact O-CE 3.12Å
119	E	88	Confident	80.1	Confident	76 Å²	76	95.1 Å²	95.1	36%	0.355	46%	0.46	S	S	.	.	S	Bend	trans	-67.8	151.8	-179.4	-62	-178.3	173.2	0	0	113.9	W114 R345 K688	W114-E119 PolarHBondContact NE1-OE1 3.01Å; E119-R345 IonicContact OE2-NH1 2.57Å; E119-K688 WeakPolarHBondContact O-CE 3.44Å; E119-K688 PolarHBondContact O-NZ 3.29Å
120	Q	79.9	Confident	82.8	Confident	179 Å²	179	92 Å²	92	84%	0.836	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-70.7	133.2	168.5	-69	-168.6	-4.7	0	0	111
121	K	73.3	Confident	84.9	Confident	98 Å²	98	83 Å²	83	43%	0.426	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-79.7	132.4	179.8	-172.5	-166.2	168.3	-159	0	110	D123	K121-D123 IonicContact NZ-OD1 3.15Å; K121-D123 PolarHBondContact NZ-OD1 2.84Å; K121-D123 IonicContact NZ-OD2 3.05Å; K121-D123 PolarHBondContact NZ-OD2 3.43Å
122	K	66.6	Low	86.6	Confident	151 Å²	151	78.3 Å²	78.3	66%	0.657	37%	0.371	S	S	*	.			trans	-104.5	130.1	162.1	-63.3	-175.9	179	-175.7	0	108.2
123	D	68.4	Low	87.9	Confident	130 Å²	130	69.9 Å²	69.9	70%	0.695	33%	0.332	S	S	*	.			trans	-116.9	61.9	-176.6	-150.4	16.7	0	0	0	110.5	K121	K121-D123 IonicContact NZ-OD1 3.15Å; K121-D123 PolarHBondContact NZ-OD1 2.84Å; K121-D123 IonicContact NZ-OD2 3.05Å; K121-D123 PolarHBondContact NZ-OD2 3.43Å
124	D	78.4	Confident	88.6	Confident	99 Å²	99	70.7 Å²	70.7	53%	0.529	33%	0.329	S	S	.	.	S	Bend	trans	-107.5	12.1	-175.5	60.4	-2.2	0	0	0	112.8	V126	D124-V126 PolarHBondContact O-N 3.38Å; D124-V126 VanDerWaalsContact O-N 3.17Å; D124-V126 VanDerWaalsContact OD1-CB 3.28Å; D124-V126 WeakPolarHBondContact OD1-CB 3.35Å; D124-V126 PolarHBondContact OD1-N 3.09Å
125	G	85.8	Confident	89	Confident	21 Å²	21	69.5 Å²	69.5	22%	0.216	33%	0.325	C	S	.	.	S	Bend	trans	79.1	-19.9	-174.5	0	0	0	0	0	114.2	K127	G125-K127 PolarHBondContact O-N 2.88Å; G125-K127 PolarHBondContact O-NZ 2.85Å
126	V	92.6	Very high	89.3	Confident	49 Å²	49	63.8 Å²	63.8	30%	0.297	30%	0.304	S	S	.	.			trans	-72.3	126.2	-179.2	-178.7	0	0	0	0	110.2	D124 W128 N319	D124-V126 PolarHBondContact O-N 3.38Å; D124-V126 VanDerWaalsContact O-N 3.17Å; D124-V126 VanDerWaalsContact OD1-CB 3.28Å; D124-V126 WeakPolarHBondContact OD1-CB 3.35Å; D124-V126 PolarHBondContact OD1-N 3.09Å; V126-W128 WeakPolarHBondContact CG1-O 3.21Å; V126-N319 HydrophobicContact CG1-CB 4.33Å
127	K	93.5	Very high	89.6	Confident	44 Å²	44	65 Å²	65	19%	0.191	31%	0.312	C	S	.	.			trans	-90.8	-26.5	-179.8	-53.5	-53.1	-179.7	-125.9	0	112.6	G125 N319 S320 T322 R345 L346	G125-K127 PolarHBondContact O-N 2.88Å; G125-K127 PolarHBondContact O-NZ 2.85Å; K127-N319 PolarHBondContact N-O 3.28Å; K127-S320 WeakPolarHBondContact CE-O 3.46Å; K127-S320 WeakPolarHBondContact CG-O 3.42Å; K127-T322 HydrophobicContact CB-CG2 4.12Å; K127-T322 HydrophobicContact CD-CG2 4.37Å; K127-T322 HydrophobicContact CG-CG2 3.92Å; K127-R345 PolarHBondContact O-NH2 3.2Å; K127-L346 WeakPolarHBondContact O-CD2 3.44Å
128	W	94.9	Very high	89.9	Confident	6 Å²	6	65.6 Å²	65.6	2%	0.023	32%	0.316	C	S	.	.			trans	-160.3	154.1	179.8	47.1	-93.9	0	0	0	110.3	V126 L131 L254 D318 N319 V321	V126-W128 WeakPolarHBondContact CG1-O 3.21Å; W128-L131 HydrophobicContact CD2-CB 3.75Å; W128-L131 HydrophobicContact CD2-CD2 4.21Å; W128-L131 HydrophobicContact CE3-CB 3.66Å; W128-L131 HydrophobicContact CG-CB 4.38Å; W128-L131 HydrophobicContact CH2-CB 4.15Å; W128-L131 HydrophobicContact CH2-CD2 4.31Å; W128-L131 HydrophobicContact CZ2-CB 4.2Å; W128-L131 HydrophobicContact CZ2-CD2 3.68Å; W128-L131 HydrophobicContact CZ3-CB 3.89Å; W128-L254 HydrophobicContact CB-CD1 3.62Å; W128-L254 HydrophobicContact CB-CG 4.35Å; W128-L254 HydrophobicContact CG-CD1 3.97Å; W128-D318 WeakPolarHBondContact CZ2-O 3.27Å; W128-N319 HydrophobicContact CD2-CB 4.04Å; W128-N319 HydrophobicContact CE3-CB 3.91Å; W128-N319 HydrophobicContact CH2-CB 3.97Å; W128-N319 HydrophobicContact CZ2-CB 4.1Å; W128-N319 HydrophobicContact CZ3-CB 3.85Å; W128-N319 WeakPolarHBondContact O-CB 3.45Å; W128-V321 PolarHBondContact NE1-O 2.97Å
129	K	95.1	Very high	90.3	Very high	151 Å²	151	63.6 Å²	63.6	66%	0.657	31%	0.309	S	S	*	.	S	Bend	trans	-98.7	-38.4	172.9	-63.9	-177.8	178	-175.6	0	111.1	D255	K129-D255 WeakPolarHBondContact CA-OD1 3.38Å; K129-D255 PolarHBondContact N-OD1 3.09Å
130	F	97.7	Very high	90.7	Very high	51 Å²	51	64.8 Å²	64.8	22%	0.224	32%	0.323	C	S	.	.			trans	-127.8	134.5	177.9	-174.1	-95.5	0	0	0	111.1	E132 I253 L254 D255 S298	F130-E132 HydrophobicContact CE1-CB 3.66Å; F130-E132 HydrophobicContact CZ-CB 3.85Å; F130-I253 HydrophobicContact CD1-CB 4.49Å; F130-I253 HydrophobicContact CD1-CG2 4.01Å; F130-I253 HydrophobicContact CE1-CB 4.13Å; F130-I253 HydrophobicContact CE1-CG2 3.9Å; F130-L254 WeakPolarHBondContact O-CA 3.42Å; F130-D255 PolarHBondContact N-OD1 3.41Å; F130-D255 PolarHBondContact O-N 3.27Å; F130-S298 WeakPolarHBondContact CD2-OG 3.08Å
131	L	98.4	Very high	91.4	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	109.9	177.8	176.7	62.1	0	0	0	110.7	W128 C252 I253 L254 N296 C297 S298 S301 L324	W128-L131 HydrophobicContact CD2-CB 3.75Å; W128-L131 HydrophobicContact CD2-CD2 4.21Å; W128-L131 HydrophobicContact CE3-CB 3.66Å; W128-L131 HydrophobicContact CG-CB 4.38Å; W128-L131 HydrophobicContact CH2-CB 4.15Å; W128-L131 HydrophobicContact CH2-CD2 4.31Å; W128-L131 HydrophobicContact CZ2-CB 4.2Å; W128-L131 HydrophobicContact CZ2-CD2 3.68Å; W128-L131 HydrophobicContact CZ3-CB 3.89Å; L131-C252 HydrophobicContact CD1-CB 4.39Å; L131-I253 WeakPolarHBondContact CA-O 3.29Å; L131-L254 HydrophobicContact CD1-CD1 3.84Å; L131-N296 WeakPolarHBondContact CD2-O 3.44Å; L131-C297 WeakPolarHBondContact O-CA 3.44Å; L131-C297 WeakPolarHBondContact O-CB 3.37Å; L131-S298 PolarHBondContact N-OG 3.49Å; L131-S298 PolarHBondContact O-N 3.5Å; L131-S301 WeakPolarHBondContact O-CB 3.44Å; L131-S301 PolarHBondContact O-OG 2.96Å; L131-L324 HydrophobicContact CD1-CG 4.21Å; L131-L324 HydrophobicContact CD2-CG 4.38Å
132	E	98.5	Very high	92.5	Very high	54 Å²	54	59.8 Å²	59.8	25%	0.252	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.6	174.1	-174.1	174	117	0	0	111.3	F130 C252 I253 K302	F130-E132 HydrophobicContact CE1-CB 3.66Å; F130-E132 HydrophobicContact CZ-CB 3.85Å; E132-C252 CarbonylContact O-C 3.58Å; E132-C252 WeakPolarHBondContact O-CA 3.46Å; E132-C252 WeakPolarHBondContact O-CB 3.27Å; E132-I253 HydrophobicContact CB-CB 4.4Å; E132-I253 PolarHBondContact N-O 3.27Å; E132-I253 PolarHBondContact O-N 3.34Å; E132-K302 WeakPolarHBondContact OE2-CB 3.42Å; E132-K302 PolarHBondContact OE2-N 2.71Å
133	H	98.4	Very high	93.9	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.046	32%	0.315	C	S	.	.			trans	-149.5	174.1	175.3	63.5	101.7	0	0	0	111.2	G135 C252 I261 N296 P304 L324	H133-G135 WeakPolarHBondContact ND1-CA 3.46Å; H133-G135 PolarHBondContact ND1-N 3.39Å; H133-G135 VanDerWaalsContact ND1-N 3.11Å; H133-C252 HydrophobicContact CB-CB 3.74Å; H133-I261 HydrophobicContact CB-CD1 4.3Å; H133-N296 PolarHBondContact NE2-O 2.82Å; H133-P304 WeakPolarHBondContact O-CG 3.41Å; H133-L324 HydrophobicContact CB-CD2 4.05Å; H133-L324 PolarHBondContact CE1-O 3.13Å; H133-L324 VanDerWaalsContact CE1-O 3.32Å; H133-L324 PolarHBondContact NE2-O 3.13Å
134	K	98.1	Very high	95.2	Very high	100 Å²	100	59 Å²	59	44%	0.435	30%	0.299	S	S	.	.			trans	-95.7	10.8	-179.1	-65.6	-62.3	-172.7	-175.2	0	114.9	E248 Y249	K134-E248 VanDerWaalsContact CG-O 3.31Å; K134-E248 WeakPolarHBondContact CG-O 3.36Å; K134-Y249 HydrophobicContact CB-CD1 4.06Å; K134-Y249 HydrophobicContact CB-CE1 4.26Å
135	G	97.9	Very high	96.1	Very high	4 Å²	4	55.1 Å²	55.1	4%	0.041	28%	0.278	C	S	.	.			trans	74.9	-175.6	-172.9	0	0	0	0	0	113.5	H133	H133-G135 WeakPolarHBondContact ND1-CA 3.46Å; H133-G135 PolarHBondContact ND1-N 3.39Å; H133-G135 VanDerWaalsContact ND1-N 3.11Å
136	P	98	Very high	96.6	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.039	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-74.1	154.7	176.6	30.6	-36.2	0	0	0	113.1	F138 F264 I266 V293 W312 I338	P136-F138 HydrophobicContact CG-CE2 4.01Å; P136-F138 HydrophobicContact CG-CZ 4.11Å; P136-F264 CarbonylContact C-O 3.57Å; P136-F264 WeakPolarHBondContact CA-O 3.36Å; P136-I266 HydrophobicContact CB-CD1 3.61Å; P136-I266 HydrophobicContact CB-CG1 3.77Å; P136-I266 HydrophobicContact CG-CD1 3.87Å; P136-V293 HydrophobicContact CG-CG1 4.18Å; P136-W312 HydrophobicContact CG-CH2 3.99Å; P136-W312 HydrophobicContact CG-CZ3 4.03Å; P136-I338 HydrophobicContact CB-CD1 3.59Å
137	L	97.8	Very high	96.6	Very high	43 Å²	43	59.8 Å²	59.8	23%	0.225	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-91.8	119.1	160.5	-174.9	72.3	0	0	0	109.7	I245 Y249 F264 R265 I266	L137-I245 HydrophobicContact CD2-CG2 3.5Å; L137-Y249 HydrophobicContact CB-CD1 4.45Å; L137-Y249 HydrophobicContact CB-CG 4.41Å; L137-Y249 HydrophobicContact CD1-CD2 4.33Å; L137-Y249 HydrophobicContact CD1-CE2 4.21Å; L137-F264 HydrophobicContact CB-CD2 4Å; L137-F264 HydrophobicContact CB-CE2 4.35Å; L137-F264 HydrophobicContact CD2-CE2 4.29Å; L137-F264 PolarHBondContact N-O 3.01Å; L137-R265 HydrophobicContact CB-CG 4.36Å; L137-R265 HydrophobicContact CD2-CG 4Å; L137-R265 WeakPolarHBondContact O-CA 3.39Å; L137-I266 PolarHBondContact O-N 3.37Å
138	F	98.3	Very high	96.7	Very high	44 Å²	44	61.6 Å²	61.6	19%	0.193	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-71.8	152.9	177.3	-71.9	-86.5	0	0	0	112.5	P136 I266 I288 P290 V293 P307 W312	P136-F138 HydrophobicContact CG-CE2 4.01Å; P136-F138 HydrophobicContact CG-CZ 4.11Å; F138-I266 HydrophobicContact CD1-CD1 3.63Å; F138-I266 HydrophobicContact CE1-CD1 3.46Å; F138-I266 VanDerWaalsContact CE1-CD1 3.46Å; F138-I266 HydrophobicContact CG-CD1 4.27Å; F138-I266 HydrophobicContact CZ-CD1 3.98Å; F138-I288 WeakPolarHBondContact CD1-O 3.18Å; F138-P290 HydrophobicContact CE1-CG 3.96Å; F138-P290 HydrophobicContact CE2-CB 4.48Å; F138-P290 HydrophobicContact CE2-CG 3.93Å; F138-P290 HydrophobicContact CZ-CB 3.9Å; F138-P290 HydrophobicContact CZ-CG 3.54Å; F138-V293 HydrophobicContact CE1-CG2 4.21Å; F138-V293 HydrophobicContact CZ-CG2 4.15Å; F138-P307 HydrophobicContact CD2-CG 3.82Å; F138-P307 HydrophobicContact CE2-CG 3.75Å; F138-W312 AromaticContact CE2-CH2 3.86Å; F138-W312 HydrophobicContact CE2-CH2 3.86Å; F138-W312 AromaticContact CE2-CZ3 3.83Å; F138-W312 HydrophobicContact CE2-CZ3 3.83Å; F138-W312 HydrophobicContact CZ-CH2 4.2Å; F138-W312 AromaticContact CZ-CZ3 3.68Å; F138-W312 HydrophobicContact CZ-CZ3 3.68Å
139	A	97	Very high	96.7	Very high	18 Å²	18	62.2 Å²	62.2	15%	0.149	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-63.5	140.9	172.8	0	0	0	0	0	110.4	P268 R287	A139-P268 HydrophobicContact CB-CB 4Å; A139-R287 PolarHBondContact O-NH1 2.96Å; A139-R287 VanDerWaalsContact O-NH1 3.09Å
140	P	95.5	Very high	96.7	Very high	101 Å²	101	58.8 Å²	58.8	66%	0.656	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-52.6	147.1	177.2	-26.6	34.4	0	0	0	112.4	R287	P140-R287 PolarHBondContact O-NH1 3.17Å; P140-R287 PolarHBondContact O-NH2 3.14Å; P140-R287 VanDerWaalsContact O-NH2 3.16Å
141	P	95.8	Very high	96.7	Very high	110 Å²	110	56.7 Å²	56.7	71%	0.714	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-60	156.9	173.3	27.6	-34.4	0	0	0	110.7
142	Y	96.9	Very high	96.7	Very high	62 Å²	62	58.7 Å²	58.7	24%	0.243	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-66.9	132.8	177.4	175.4	-120.5	0	0	0	111.1	R144 E165 E166	Y142-R144 HydrophobicContact CE1-CG 4.13Å; Y142-E165 HydrophobicContact CE1-CB 4.25Å; Y142-E165 WeakPolarHBondContact OH-CG 3.33Å; Y142-E165 PolarHBondContact OH-OE1 2.82Å; Y142-E166 HydrophobicContact CD1-CB 3.87Å; Y142-E166 HydrophobicContact CD1-CG 4.48Å; Y142-E166 HydrophobicContact CD2-CB 3.69Å; Y142-E166 HydrophobicContact CD2-CG 3.58Å; Y142-E166 HydrophobicContact CE1-CB 4Å; Y142-E166 HydrophobicContact CE2-CB 3.85Å; Y142-E166 HydrophobicContact CE2-CG 4.08Å; Y142-E166 HydrophobicContact CG-CB 3.71Å; Y142-E166 HydrophobicContact CG-CG 3.82Å
143	E	95.7	Very high	96.6	Very high	168 Å²	168	57.1 Å²	57.1	79%	0.785	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-102	118	170.5	-68.4	175.8	-170.7	0	0	108.6
144	R	96	Very high	96.5	Very high	96 Å²	96	60.8 Å²	60.8	36%	0.362	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-58.1	151	179.7	-67.2	-156.7	76.5	127.2	-2.4	112.4	Y142 L160 D162 E165	Y142-R144 HydrophobicContact CE1-CG 4.13Å; R144-L160 PolarHBondContact NH2-O 3.07Å; R144-D162 WeakPolarHBondContact CD-OD1 3.31Å; R144-D162 WeakPolarHBondContact CG-OD1 3.46Å; R144-D162 IonicContact CZ-OD1 3.53Å; R144-D162 IonicContact NE-OD1 2.75Å; R144-D162 PolarHBondContact NE-OD1 3.16Å; R144-D162 VanDerWaalsContact NE-OD1 3.15Å; R144-D162 IonicContact NH1-OD1 3.44Å; R144-D162 PolarHBondContact NH1-OD1 3.16Å; R144-D162 IonicContact NH1-OD2 3.45Å; R144-D162 PolarHBondContact NH1-OD2 2.84Å; R144-E165 WeakPolarHBondContact CA-OE1 3.33Å; R144-E165 IonicContact CZ-OE2 3.42Å; R144-E165 IonicContact NE-OE1 3.47Å; R144-E165 PolarHBondContact NE-OE1 2.88Å; R144-E165 IonicContact NE-OE2 2.65Å; R144-E165 IonicContact NH2-OE1 3.55Å; R144-E165 IonicContact NH2-OE2 2.82Å; R144-E165 PolarHBondContact NH2-OE2 2.92Å
145	L	96	Very high	96.3	Very high	18 Å²	18	61.5 Å²	61.5	9%	0.094	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-63.2	146.4	171.6	-69.6	179.5	0	0	0	111.3	V149 E165 M216 Y219 F220	L145-V149 HydrophobicContact CB-CB 4.43Å; L145-V149 HydrophobicContact CD1-CG1 4.06Å; L145-E165 HydrophobicContact CD1-CG 4.24Å; L145-E165 HydrophobicContact CG-CG 4.39Å; L145-E165 PolarHBondContact N-OE1 3.09Å; L145-M216 HydrophobicContact CD1-CB 4.4Å; L145-M216 HydrophobicContact CD1-CE 3.53Å; L145-M216 HydrophobicContact CD1-CG 3.8Å; L145-M216 HydrophobicContact CD1-SD 4.38Å; L145-Y219 HydrophobicContact CD2-CD1 3.43Å; L145-Y219 VanDerWaalsContact CD2-CD1 3.43Å; L145-Y219 HydrophobicContact CD2-CE1 3.39Å; L145-Y219 HydrophobicContact CD2-CG 4.49Å; L145-F220 HydrophobicContact CD2-CE1 3.93Å; L145-F220 HydrophobicContact CD2-CZ 3.73Å
146	P	96	Very high	96.2	Very high	49 Å²	49	68.5 Å²	68.5	32%	0.318	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-56.8	146.9	170.7	-22.3	33	0	0	0	110.6	S148 V149 Y219	P146-S148 PolarHBondContact O-N 3.33Å; P146-V149 HydrophobicContact CB-CG2 4.46Å; P146-V149 HydrophobicContact CG-CG2 4.46Å; P146-V149 PolarHBondContact O-N 3.09Å; P146-Y219 VanDerWaalsContact CD-CZ 3.48Å; P146-Y219 WeakPolarHBondContact CD-OH 3.26Å; P146-Y219 HydrophobicContact CG-CE2 3.71Å
147	S	93.6	Very high	96.1	Very high	119 Å²	119	72.1 Å²	72.1	83%	0.832	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-13.4	179.2	59	0	0	0	0	114.4	V149 H150	S147-V149 VanDerWaalsContact C-N 3.35Å; S147-H150 PolarHBondContact O-CE1 2.9Å; S147-H150 PolarHBondContact O-NE2 3.25Å
148	S	94.3	Very high	95.9	Very high	82 Å²	82	71.8 Å²	71.8	57%	0.573	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-7.6	174.6	65	0	0	0	0	114	P146 H150 E215	P146-S148 PolarHBondContact O-N 3.33Å; S148-H150 PolarHBondContact O-ND1 3.24Å; S148-E215 VanDerWaalsContact O-OE1 3.07Å
149	V	96.1	Very high	95.8	Very high	19 Å²	19	78.2 Å²	78.2	12%	0.115	43%	0.426	C	S	.	.	S	Bend	trans	-112.2	112.4	-177.5	-178.3	0	0	0	0	108.6	L145 P146 S147 E215 M216 Y219	L145-V149 HydrophobicContact CB-CB 4.43Å; L145-V149 HydrophobicContact CD1-CG1 4.06Å; P146-V149 HydrophobicContact CB-CG2 4.46Å; P146-V149 HydrophobicContact CG-CG2 4.46Å; P146-V149 PolarHBondContact O-N 3.09Å; S147-V149 VanDerWaalsContact C-N 3.35Å; V149-E215 WeakPolarHBondContact CA-OE1 3.4Å; V149-E215 HydrophobicContact CG1-CG 4.3Å; V149-M216 HydrophobicContact CG1-CG 4.37Å; V149-Y219 HydrophobicContact CG1-CG 4.23Å; V149-Y219 HydrophobicContact CG2-CD2 3.68Å; V149-Y219 HydrophobicContact CG2-CE2 4.33Å; V149-Y219 HydrophobicContact CG2-CG 3.79Å
150	H	95.6	Very high	95.8	Very high	79 Å²	79	77.6 Å²	77.6	37%	0.366	42%	0.42	S	S	.	.			trans	-106.8	147.5	-171.7	-52.6	80.4	0	0	0	112	S147 S148 P157 E215	S147-H150 PolarHBondContact O-CE1 2.9Å; S147-H150 PolarHBondContact O-NE2 3.25Å; S148-H150 PolarHBondContact O-ND1 3.24Å; H150-P157 HydrophobicContact CB-CB 4.17Å; H150-E215 IonicContact CG-OE1 3.09Å; H150-E215 VanDerWaalsContact N-CD 3.29Å; H150-E215 PolarHBondContact N-OE1 2.83Å; H150-E215 IonicContact ND1-OE1 2.64Å; H150-E215 PolarHBondContact ND1-OE1 3.33Å
151	F	97.5	Very high	95.8	Very high	8 Å²	8	74 Å²	74	4%	0.035	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135.9	160.3	168.1	-106.7	0	0	0	108.5	P157 I158 L160 W193 I205 C211 F213 M216	F151-P157 CarbonylContact O-C 3.58Å; F151-P157 WeakPolarHBondContact O-CA 3.43Å; F151-I158 HydrophobicContact CD1-CB 4.18Å; F151-I158 PolarHBondContact O-N 2.82Å; F151-L160 HydrophobicContact CB-CD1 3.97Å; F151-L160 HydrophobicContact CB-CG 4.29Å; F151-L160 HydrophobicContact CD1-CD1 3.79Å; F151-L160 HydrophobicContact CD1-CD2 3.83Å; F151-L160 HydrophobicContact CD1-CG 3.8Å; F151-L160 HydrophobicContact CD2-CD1 4.49Å; F151-L160 HydrophobicContact CE1-CD1 4.47Å; F151-L160 HydrophobicContact CE1-CD2 4.13Å; F151-L160 HydrophobicContact CG-CD1 3.81Å; F151-L160 HydrophobicContact CG-CG 4.23Å; F151-W193 HydrophobicContact CE1-CH2 4.2Å; F151-W193 AromaticContact CE2-CH2 3.97Å; F151-W193 HydrophobicContact CE2-CH2 3.97Å; F151-W193 AromaticContact CZ-CH2 3.63Å; F151-W193 HydrophobicContact CZ-CH2 3.63Å; F151-W193 HydrophobicContact CZ-CZ2 4.39Å; F151-I205 HydrophobicContact CE1-CD1 3.84Å; F151-I205 HydrophobicContact CE1-CG1 4.43Å; F151-I205 HydrophobicContact CZ-CD1 4.49Å; F151-C211 HydrophobicContact CE2-CB 3.82Å; F151-C211 HydrophobicContact CZ-CB 3.79Å; F151-F213 HydrophobicContact CD2-CD1 4.04Å; F151-F213 HydrophobicContact CD2-CE1 4.05Å; F151-F213 AromaticContact CE2-CD1 4Å; F151-F213 HydrophobicContact CE2-CD1 4Å; F151-F213 AromaticContact CE2-CE1 3.66Å; F151-F213 HydrophobicContact CE2-CE1 3.66Å; F151-F213 AromaticContact CE2-CZ 3.96Å; F151-F213 HydrophobicContact CE2-CZ 3.96Å; F151-M216 HydrophobicContact CB-SD 4.01Å; F151-M216 HydrophobicContact CD2-SD 4.14Å
152	H	97.2	Very high	95.9	Very high	42 Å²	42	72.5 Å²	72.5	19%	0.194	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.9	179.8	-72.6	84.1	0	0	0	110.9	K156 D212 E215	H152-K156 CarbonylContact C-O 3.59Å; H152-K156 WeakPolarHBondContact CA-O 3.4Å; H152-D212 HydrophobicContact CB-CB 4.02Å; H152-D212 PolarHBondContact N-O 3.27Å; H152-D212 PolarHBondContact O-N 3.36Å; H152-E215 IonicContact CE1-OE2 3.71Å; H152-E215 PolarHBondContact CE1-OE2 2.94Å; H152-E215 IonicContact ND1-OE2 3.99Å
153	Y	97.3	Very high	95.8	Very high	21 Å²	21	75.8 Å²	75.8	8%	0.082	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.4	171.1	-176.9	-100.9	0	0	0	109.3	S155 K156 I158 T204 I205 K206 S207 K210	Y153-S155 PolarHBondContact O-N 2.77Å; Y153-K156 PolarHBondContact N-O 2.67Å; Y153-K156 PolarHBondContact O-N 3.2Å; Y153-I158 HydrophobicContact CD1-CD1 4.22Å; Y153-I158 HydrophobicContact CG-CD1 4.19Å; Y153-T204 HydrophobicContact CD1-CG2 4.01Å; Y153-T204 HydrophobicContact CE1-CG2 4.31Å; Y153-T204 WeakPolarHBondContact CE1-O 3.25Å; Y153-T204 PolarHBondContact OH-O 3.3Å; Y153-I205 HydrophobicContact CD2-CB 4.4Å; Y153-I205 HydrophobicContact CD2-CG1 4.22Å; Y153-I205 HydrophobicContact CD2-CG2 4.05Å; Y153-I205 HydrophobicContact CE2-CB 4.32Å; Y153-I205 HydrophobicContact CE2-CG2 3.94Å; Y153-I205 HydrophobicContact CG-CG1 4.32Å; Y153-K206 PolarHBondContact OH-N 2.95Å; Y153-S207 WeakPolarHBondContact CE2-O 3.37Å; Y153-S207 PolarHBondContact OH-N 2.89Å; Y153-K210 WeakPolarHBondContact CA-O 3.33Å; Y153-K210 HydrophobicContact CD2-CB 3.96Å; Y153-K210 HydrophobicContact CE1-CD 4.45Å; Y153-K210 HydrophobicContact CE2-CB 3.47Å; Y153-K210 VanDerWaalsContact CE2-CB 3.47Å; Y153-K210 HydrophobicContact CE2-CD 4.46Å
154	D	96	Very high	95.9	Very high	87 Å²	87	67.8 Å²	67.8	47%	0.465	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	44.7	-176.1	-145.6	6.1	0	0	0	111.7	K156 K210	D154-K156 PolarHBondContact O-N 3.08Å; D154-K156 VanDerWaalsContact O-N 3.11Å; D154-K210 HydrophobicContact CB-CD 4.32Å; D154-K210 PolarHBondContact N-O 3.27Å; D154-K210 IonicContact OD1-NZ 3.15Å; D154-K210 IonicContact OD2-NZ 3.3Å; D154-K210 PolarHBondContact OD2-NZ 2.99Å
155	S	93.8	Very high	96	Very high	115 Å²	115	64.1 Å²	64.1	80%	0.804	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	8.2	-176.4	-54	0	0	0	0	116.1	Y153	Y153-S155 PolarHBondContact O-N 2.77Å
156	K	95.6	Very high	96.2	Very high	152 Å²	152	64.5 Å²	64.5	66%	0.661	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	133	174.8	-63.4	-177.6	-177.1	179.6	0	110.8	H152 Y153 D154 I158	H152-K156 CarbonylContact C-O 3.59Å; H152-K156 WeakPolarHBondContact CA-O 3.4Å; Y153-K156 PolarHBondContact N-O 2.67Å; Y153-K156 PolarHBondContact O-N 3.2Å; D154-K156 PolarHBondContact O-N 3.08Å; D154-K156 VanDerWaalsContact O-N 3.11Å; K156-I158 PolarHBondContact O-N 3.48Å
157	P	95.6	Very high	96.3	Very high	81 Å²	81	62.4 Å²	62.4	53%	0.526	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.4	174.5	27.4	-33.2	0	0	0	109.9	H150 F151	H150-P157 HydrophobicContact CB-CB 4.17Å; F151-P157 CarbonylContact O-C 3.58Å; F151-P157 WeakPolarHBondContact O-CA 3.43Å
158	I	94.7	Very high	96.5	Very high	36 Å²	36	56.8 Å²	56.8	19%	0.185	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.6	174.9	-62.4	-172.1	0	0	0	108.4	F151 Y153 K156 L160 T204	F151-I158 HydrophobicContact CD1-CB 4.18Å; F151-I158 PolarHBondContact O-N 2.82Å; Y153-I158 HydrophobicContact CD1-CD1 4.22Å; Y153-I158 HydrophobicContact CG-CD1 4.19Å; K156-I158 PolarHBondContact O-N 3.48Å; I158-L160 HydrophobicContact CG2-CD2 4.33Å; I158-L160 PolarHBondContact O-N 2.79Å; I158-T204 HydrophobicContact CD1-CG2 3.49Å; I158-T204 VanDerWaalsContact CD1-CG2 3.49Å
159	K	95.2	Very high	96.7	Very high	179 Å²	179	53 Å²	53	78%	0.778	27%	0.273	S	S	*	.			trans	-83.8	110.7	171.1	-172.8	178.1	-177.8	-179.7	0	109.2
160	L	97.1	Very high	96.8	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.026	27%	0.274	C	S	.	.			trans	-76	161.3	178	-63.2	174.5	0	0	0	111.4	R144 F151 I158 A164 E165 A168 W193 E201 I205	R144-L160 PolarHBondContact NH2-O 3.07Å; F151-L160 HydrophobicContact CB-CD1 3.97Å; F151-L160 HydrophobicContact CB-CG 4.29Å; F151-L160 HydrophobicContact CD1-CD1 3.79Å; F151-L160 HydrophobicContact CD1-CD2 3.83Å; F151-L160 HydrophobicContact CD1-CG 3.8Å; F151-L160 HydrophobicContact CD2-CD1 4.49Å; F151-L160 HydrophobicContact CE1-CD1 4.47Å; F151-L160 HydrophobicContact CE1-CD2 4.13Å; F151-L160 HydrophobicContact CG-CD1 3.81Å; F151-L160 HydrophobicContact CG-CG 4.23Å; I158-L160 HydrophobicContact CG2-CD2 4.33Å; I158-L160 PolarHBondContact O-N 2.79Å; L160-A164 HydrophobicContact CB-CB 4.17Å; L160-A164 HydrophobicContact CD2-CB 4.4Å; L160-E165 HydrophobicContact CB-CB 3.98Å; L160-E165 HydrophobicContact CB-CG 4.48Å; L160-A168 HydrophobicContact CD1-CB 3.78Å; L160-W193 HydrophobicContact CD1-CZ2 3.96Å; L160-W193 HydrophobicContact CD2-CZ2 4.4Å; L160-E201 VanDerWaalsContact C-OE1 3.31Å; L160-E201 WeakPolarHBondContact CA-OE1 3.47Å; L160-E201 HydrophobicContact CD2-CG 4.31Å; L160-I205 HydrophobicContact CD2-CD1 3.68Å
161	S	96.9	Very high	96.9	Very high	27 Å²	27	50.8 Å²	50.8	19%	0.189	26%	0.26	C	S	.	.			trans	-74.7	160.5	169	60.9	0	0	0	0	110	H163 A164 E165 E201	S161-H163 VanDerWaalsContact C-N 3.3Å; S161-H163 PolarHBondContact O-N 2.95Å; S161-A164 PolarHBondContact O-N 3.5Å; S161-A164 VanDerWaalsContact O-N 3.14Å; S161-A164 WeakPolarHBondContact OG-CB 3.26Å; S161-E165 VanDerWaalsContact O-CB 3.27Å; S161-E165 WeakPolarHBondContact O-CB 3.4Å; S161-E165 PolarHBondContact O-N 2.9Å; S161-E201 WeakPolarHBondContact CA-OE1 3.35Å; S161-E201 WeakPolarHBondContact CB-OE1 3.18Å; S161-E201 PolarHBondContact N-OE1 3.11Å; S161-E201 PolarHBondContact OG-OE1 3.32Å; S161-E201 PolarHBondContact OG-OE2 3.06Å
162	D	96.4	Very high	96.9	Very high	77 Å²	77	50.4 Å²	50.4	41%	0.412	26%	0.258	S	S	.	.	H	α-helix	trans	-53	-47.8	-176.6	-72.5	-47.9	0	0	0	112.7	R144 E165 E166	R144-D162 WeakPolarHBondContact CD-OD1 3.31Å; R144-D162 WeakPolarHBondContact CG-OD1 3.46Å; R144-D162 IonicContact CZ-OD1 3.53Å; R144-D162 IonicContact NE-OD1 2.75Å; R144-D162 PolarHBondContact NE-OD1 3.16Å; R144-D162 VanDerWaalsContact NE-OD1 3.15Å; R144-D162 IonicContact NH1-OD1 3.44Å; R144-D162 PolarHBondContact NH1-OD1 3.16Å; R144-D162 IonicContact NH1-OD2 3.45Å; R144-D162 PolarHBondContact NH1-OD2 2.84Å; D162-E165 PolarHBondContact O-N 2.77Å; D162-E166 PolarHBondContact O-N 2.9Å
163	H	96.2	Very high	96.9	Very high	132 Å²	132	54.2 Å²	54.2	61%	0.611	27%	0.271	S	S	*	.	H	α-helix	trans	-69.1	-34.8	-178.8	-61.6	-59.2	0	0	0	113	S161 V167 T196	S161-H163 VanDerWaalsContact C-N 3.3Å; S161-H163 PolarHBondContact O-N 2.95Å; H163-V167 WeakPolarHBondContact O-CG2 3.24Å; H163-T196 PolarHBondContact O-OG1 3.39Å
164	A	97.8	Very high	96.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-74.9	-38.3	175.6	0	0	0	0	0	111.8	L160 S161 V167 A168 W193 M197 E201	L160-A164 HydrophobicContact CB-CB 4.17Å; L160-A164 HydrophobicContact CD2-CB 4.4Å; S161-A164 PolarHBondContact O-N 3.5Å; S161-A164 VanDerWaalsContact O-N 3.14Å; S161-A164 WeakPolarHBondContact OG-CB 3.26Å; A164-V167 PolarHBondContact O-N 3.16Å; A164-A168 VanDerWaalsContact O-CB 3.27Å; A164-A168 WeakPolarHBondContact O-CB 3.44Å; A164-A168 PolarHBondContact O-N 3.19Å; A164-W193 PolarHBondContact O-NE1 3.05Å; A164-M197 HydrophobicContact CB-CG 4.01Å; A164-E201 WeakPolarHBondContact CB-OE2 3.27Å
165	E	98.3	Very high	96.9	Very high	18 Å²	18	52.2 Å²	52.2	8%	0.084	26%	0.261	C	S	.	.	H	α-helix	trans	-67.3	-42.4	179.7	-160.8	-178.6	92.6	0	0	111.6	Y142 R144 L145 L160 S161 D162 V167 A168 G169	Y142-E165 HydrophobicContact CE1-CB 4.25Å; Y142-E165 WeakPolarHBondContact OH-CG 3.33Å; Y142-E165 PolarHBondContact OH-OE1 2.82Å; R144-E165 WeakPolarHBondContact CA-OE1 3.33Å; R144-E165 IonicContact CZ-OE2 3.42Å; R144-E165 IonicContact NE-OE1 3.47Å; R144-E165 PolarHBondContact NE-OE1 2.88Å; R144-E165 IonicContact NE-OE2 2.65Å; R144-E165 IonicContact NH2-OE1 3.55Å; R144-E165 IonicContact NH2-OE2 2.82Å; R144-E165 PolarHBondContact NH2-OE2 2.92Å; L145-E165 HydrophobicContact CD1-CG 4.24Å; L145-E165 HydrophobicContact CG-CG 4.39Å; L145-E165 PolarHBondContact N-OE1 3.09Å; L160-E165 HydrophobicContact CB-CB 3.98Å; L160-E165 HydrophobicContact CB-CG 4.48Å; S161-E165 VanDerWaalsContact O-CB 3.27Å; S161-E165 WeakPolarHBondContact O-CB 3.4Å; S161-E165 PolarHBondContact O-N 2.9Å; D162-E165 PolarHBondContact O-N 2.77Å; E165-V167 PolarHBondContact O-N 3.14Å; E165-A168 PolarHBondContact O-N 3.16Å; E165-G169 PolarHBondContact O-N 2.8Å
166	E	98.3	Very high	96.8	Very high	26 Å²	26	53 Å²	53	12%	0.121	26%	0.256	C	S	.	.	H	α-helix	trans	-57.7	-48.5	175.4	-176.7	176.4	-154.8	0	0	110.9	Y142 D162 G169 F170 R287	Y142-E166 HydrophobicContact CD1-CB 3.87Å; Y142-E166 HydrophobicContact CD1-CG 4.48Å; Y142-E166 HydrophobicContact CD2-CB 3.69Å; Y142-E166 HydrophobicContact CD2-CG 3.58Å; Y142-E166 HydrophobicContact CE1-CB 4Å; Y142-E166 HydrophobicContact CE2-CB 3.85Å; Y142-E166 HydrophobicContact CE2-CG 4.08Å; Y142-E166 HydrophobicContact CG-CB 3.71Å; Y142-E166 HydrophobicContact CG-CG 3.82Å; D162-E166 PolarHBondContact O-N 2.9Å; E166-G169 PolarHBondContact O-N 2.84Å; E166-F170 HydrophobicContact CG-CE1 4.11Å; E166-F170 HydrophobicContact CG-CE2 4.01Å; E166-F170 HydrophobicContact CG-CZ 3.5Å; E166-F170 VanDerWaalsContact CG-CZ 3.5Å; E166-F170 PolarHBondContact O-N 3.44Å; E166-R287 IonicContact OE1-CZ 3.8Å; E166-R287 IonicContact OE1-NE 3.64Å; E166-R287 IonicContact OE1-NH2 2.74Å; E166-R287 PolarHBondContact OE1-NH2 2.86Å
167	V	98.4	Very high	96.8	Very high	6 Å²	6	48.5 Å²	48.5	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-69.6	-41.4	-178.1	177	0	0	0	0	112	H163 A164 E165 G169 F170 Y171 F189 W193 T196 L284	H163-V167 WeakPolarHBondContact O-CG2 3.24Å; A164-V167 PolarHBondContact O-N 3.16Å; E165-V167 PolarHBondContact O-N 3.14Å; V167-G169 PolarHBondContact O-N 3.2Å; V167-F170 HydrophobicContact CB-CD2 4.49Å; V167-F170 HydrophobicContact CG2-CD2 4.49Å; V167-F170 HydrophobicContact CG2-CE2 4.33Å; V167-F170 WeakPolarHBondContact O-CB 3.18Å; V167-F170 PolarHBondContact O-N 2.9Å; V167-Y171 PolarHBondContact O-N 3.47Å; V167-F189 HydrophobicContact CG1-CE2 3.92Å; V167-W193 HydrophobicContact CG1-CB 3.88Å; V167-W193 HydrophobicContact CG1-CG 3.9Å; V167-T196 HydrophobicContact CG2-CG2 4Å; V167-L284 HydrophobicContact CG1-CD1 4.27Å; V167-L284 HydrophobicContact CG1-CD2 4.49Å; V167-L284 HydrophobicContact CG2-CD1 3.9Å; V167-L284 HydrophobicContact CG2-CD2 3.74Å; V167-L284 HydrophobicContact CG2-CG 4.49Å
168	A	98.4	Very high	96.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-38.4	171.3	0	0	0	0	0	111.3	L160 A164 E165 F170 Y171 A172 W193 F213 M216	L160-A168 HydrophobicContact CD1-CB 3.78Å; A164-A168 VanDerWaalsContact O-CB 3.27Å; A164-A168 WeakPolarHBondContact O-CB 3.44Å; A164-A168 PolarHBondContact O-N 3.19Å; E165-A168 PolarHBondContact O-N 3.16Å; A168-F170 VanDerWaalsContact C-N 3.32Å; A168-F170 PolarHBondContact O-N 3.24Å; A168-Y171 PolarHBondContact O-N 3.4Å; A168-A172 WeakPolarHBondContact O-CB 3.44Å; A168-A172 PolarHBondContact O-N 3.29Å; A168-W193 HydrophobicContact CB-CZ2 3.73Å; A168-F213 HydrophobicContact CB-CD1 4.46Å; A168-F213 HydrophobicContact CB-CE1 3.99Å; A168-M216 HydrophobicContact CB-CE 3.81Å; A168-M216 HydrophobicContact CB-SD 4.4Å
169	G	98	Very high	96.7	Very high	3 Å²	3	49.4 Å²	49.4	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-35.5	176.6	0	0	0	0	0	113.5	E165 E166 V167 A172 R173	E165-G169 PolarHBondContact O-N 2.8Å; E166-G169 PolarHBondContact O-N 2.84Å; V167-G169 PolarHBondContact O-N 3.2Å; G169-A172 PolarHBondContact O-N 3.37Å; G169-R173 VanDerWaalsContact O-CG 3.28Å; G169-R173 WeakPolarHBondContact O-CG 3.23Å; G169-R173 PolarHBondContact O-N 3.37Å
170	F	98.1	Very high	96.8	Very high	35 Å²	35	41.6 Å²	41.6	15%	0.154	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-43.6	175	-55.9	-38.9	0	0	0	112.2	E166 V167 A168 P269 L271 L284	E166-F170 HydrophobicContact CG-CE1 4.11Å; E166-F170 HydrophobicContact CG-CE2 4.01Å; E166-F170 HydrophobicContact CG-CZ 3.5Å; E166-F170 VanDerWaalsContact CG-CZ 3.5Å; E166-F170 PolarHBondContact O-N 3.44Å; V167-F170 HydrophobicContact CB-CD2 4.49Å; V167-F170 HydrophobicContact CG2-CD2 4.49Å; V167-F170 HydrophobicContact CG2-CE2 4.33Å; V167-F170 WeakPolarHBondContact O-CB 3.18Å; V167-F170 PolarHBondContact O-N 2.9Å; A168-F170 VanDerWaalsContact C-N 3.32Å; A168-F170 PolarHBondContact O-N 3.24Å; F170-P269 HydrophobicContact CE2-CB 4.16Å; F170-P269 HydrophobicContact CZ-CB 3.85Å; F170-P269 HydrophobicContact CZ-CG 3.89Å; F170-L271 HydrophobicContact CB-CD1 4.27Å; F170-L271 HydrophobicContact CB-CD2 4.35Å; F170-L271 HydrophobicContact CB-CG 3.85Å; F170-L284 HydrophobicContact CD2-CD1 4.04Å; F170-L284 HydrophobicContact CE2-CD1 3.96Å
171	Y	98.4	Very high	96.7	Very high	17 Å²	17	46.5 Å²	46.5	7%	0.067	23%	0.234	C	C	.	.	H	α-helix	trans	-67.2	-45.4	176.5	-171.5	-89.3	0	0	0	111.3	V167 A168 R173 M174 L175 T180 F185 N186 F189 F213 L271	V167-Y171 PolarHBondContact O-N 3.47Å; A168-Y171 PolarHBondContact O-N 3.4Å; Y171-R173 VanDerWaalsContact C-N 3.3Å; Y171-R173 PolarHBondContact O-N 3.49Å; Y171-M174 CarbonylContact O-C 3.56Å; Y171-M174 WeakPolarHBondContact O-CA 3.46Å; Y171-M174 PolarHBondContact O-N 3.01Å; Y171-L175 HydrophobicContact CE1-CD1 4.06Å; Y171-L175 PolarHBondContact O-N 3.18Å; Y171-T180 HydrophobicContact CD2-CG2 4.4Å; Y171-T180 HydrophobicContact CE1-CG2 4.43Å; Y171-T180 HydrophobicContact CE2-CG2 3.91Å; Y171-F185 HydrophobicContact CD2-CE1 4.1Å; Y171-F185 HydrophobicContact CE2-CD1 4.37Å; Y171-F185 HydrophobicContact CE2-CE1 4.12Å; Y171-N186 WeakPolarHBondContact CE2-OD1 3.41Å; Y171-N186 PolarHBondContact OH-OD1 2.9Å; Y171-N186 VanDerWaalsContact OH-OD1 3.1Å; Y171-F189 HydrophobicContact CD1-CE1 4.21Å; Y171-F189 HydrophobicContact CD1-CZ 4.48Å; Y171-F189 HydrophobicContact CD2-CB 4.27Å; Y171-F189 AromaticContact CD2-CD1 3.31Å; Y171-F189 HydrophobicContact CD2-CD1 3.31Å; Y171-F189 AromaticContact CD2-CD2 3.94Å; Y171-F189 HydrophobicContact CD2-CD2 3.94Å; Y171-F189 AromaticContact CD2-CE1 3.52Å; Y171-F189 HydrophobicContact CD2-CE1 3.52Å; Y171-F189 HydrophobicContact CD2-CE2 4.12Å; Y171-F189 AromaticContact CD2-CG 3.53Å; Y171-F189 HydrophobicContact CD2-CG 3.53Å; Y171-F189 AromaticContact CD2-CZ 3.93Å; Y171-F189 HydrophobicContact CD2-CZ 3.93Å; Y171-F189 AromaticContact CE2-CD1 3.65Å; Y171-F189 HydrophobicContact CE2-CD1 3.65Å; Y171-F189 HydrophobicContact CE2-CE1 4.08Å; Y171-F189 HydrophobicContact CE2-CG 4.12Å; Y171-F189 AromaticContact CG-CD1 3.92Å; Y171-F189 HydrophobicContact CG-CD1 3.92Å; Y171-F189 HydrophobicContact CG-CD2 4.38Å; Y171-F189 AromaticContact CG-CE1 3.6Å; Y171-F189 HydrophobicContact CG-CE1 3.6Å; Y171-F189 HydrophobicContact CG-CE2 4.1Å; Y171-F189 HydrophobicContact CG-CG 4.3Å; Y171-F189 AromaticContact CG-CZ 3.7Å; Y171-F189 HydrophobicContact CG-CZ 3.7Å; Y171-F213 HydrophobicContact CD1-CD1 4.3Å; Y171-F213 AromaticContact CD1-CD2 3.64Å; Y171-F213 HydrophobicContact CD1-CD2 3.64Å; Y171-F213 HydrophobicContact CD1-CE1 4.34Å; Y171-F213 AromaticContact CD1-CE2 3.67Å; Y171-F213 HydrophobicContact CD1-CE2 3.67Å; Y171-F213 AromaticContact CD1-CG 3.96Å; Y171-F213 HydrophobicContact CD1-CG 3.96Å; Y171-F213 HydrophobicContact CD1-CZ 4.03Å; Y171-F213 AromaticContact CE1-CD2 3.7Å; Y171-F213 HydrophobicContact CE1-CD2 3.7Å; Y171-F213 AromaticContact CE1-CE2 3.73Å; Y171-F213 HydrophobicContact CE1-CE2 3.73Å; Y171-F213 HydrophobicContact CE1-CG 4.43Å; Y171-F213 HydrophobicContact CE1-CZ 4.48Å; Y171-L271 HydrophobicContact CD2-CD1 4.24Å
172	A	98.2	Very high	96.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.4	-39.5	177.5	0	0	0	0	0	112.5	A168 G169 M174 L175 F213 M216 H217 F220	A168-A172 WeakPolarHBondContact O-CB 3.44Å; A168-A172 PolarHBondContact O-N 3.29Å; G169-A172 PolarHBondContact O-N 3.37Å; A172-M174 PolarHBondContact O-N 3Å; A172-L175 PolarHBondContact O-N 3.45Å; A172-F213 HydrophobicContact CB-CB 3.99Å; A172-F213 HydrophobicContact CB-CD1 4.39Å; A172-M216 HydrophobicContact CB-CB 3.63Å; A172-M216 HydrophobicContact CB-CE 4.4Å; A172-M216 HydrophobicContact CB-SD 4.36Å; A172-H217 WeakPolarHBondContact O-CB 3.37Å; A172-H217 PolarHBondContact O-ND1 3.14Å; A172-F220 HydrophobicContact CB-CD2 4.14Å; A172-F220 HydrophobicContact CB-CE2 4Å
173	R	97.4	Very high	96.7	Very high	122 Å²	122	52.8 Å²	52.8	46%	0.46	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-22.4	174.9	-74.4	172	-174.1	-91	6.3	113.8	G169 Y171 F220	G169-R173 VanDerWaalsContact O-CG 3.28Å; G169-R173 WeakPolarHBondContact O-CG 3.23Å; G169-R173 PolarHBondContact O-N 3.37Å; Y171-R173 VanDerWaalsContact C-N 3.3Å; Y171-R173 PolarHBondContact O-N 3.49Å; R173-F220 HydrophobicContact CG-CB 3.93Å; R173-F220 HydrophobicContact CG-CD1 4.14Å; R173-F220 HydrophobicContact CG-CD2 3.49Å; R173-F220 VanDerWaalsContact CG-CD2 3.49Å; R173-F220 HydrophobicContact CG-CE2 3.99Å; R173-F220 HydrophobicContact CG-CG 3.58Å; R173-F220 HydrophobicContact CG-CZ 4.49Å; R173-F220 VanDerWaalsContact CZ-CE1 3.45Å; R173-F220 VanDerWaalsContact NH2-CD1 3.29Å
174	M	95.7	Very high	96.8	Very high	22 Å²	22	49.8 Å²	49.8	11%	0.108	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	8.5	-176.3	-66.8	-176.7	57.6	0	0	113.4	Y171 A172 D176 H177 Y179 T180 F185 R273	Y171-M174 CarbonylContact O-C 3.56Å; Y171-M174 WeakPolarHBondContact O-CA 3.46Å; Y171-M174 PolarHBondContact O-N 3.01Å; A172-M174 PolarHBondContact O-N 3Å; M174-D176 VanDerWaalsContact C-N 3.25Å; M174-D176 PolarHBondContact O-N 3.32Å; M174-D176 VanDerWaalsContact O-N 3.13Å; M174-H177 HydrophobicContact CB-CB 4.33Å; M174-H177 VanDerWaalsContact O-CB 3.24Å; M174-H177 WeakPolarHBondContact O-CB 3.32Å; M174-H177 PolarHBondContact O-N 3.05Å; M174-Y179 HydrophobicContact CE-CD2 3.87Å; M174-Y179 HydrophobicContact CE-CG 4.12Å; M174-T180 HydrophobicContact CB-CG2 4.19Å; M174-T180 WeakPolarHBondContact O-CG2 3.43Å; M174-F185 HydrophobicContact CE-CE2 4.07Å; M174-F185 HydrophobicContact CE-CZ 3.66Å; M174-F185 HydrophobicContact SD-CZ 4.12Å; M174-R273 HydrophobicContact CE-CG 3.87Å; M174-R273 HydrophobicContact SD-CG 4.45Å
175	L	95.7	Very high	96.8	Very high	44 Å²	44	49.8 Å²	49.8	23%	0.23	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-40.8	-169.9	-165	61.5	0	0	0	113.4	Y171 A172 H177 T180 R214 H217	Y171-L175 HydrophobicContact CE1-CD1 4.06Å; Y171-L175 PolarHBondContact O-N 3.18Å; A172-L175 PolarHBondContact O-N 3.45Å; L175-H177 VanDerWaalsContact C-N 3.35Å; L175-T180 PolarHBondContact O-OG1 3.37Å; L175-R214 HydrophobicContact CD2-CG 3.96Å; L175-H217 HydrophobicContact CB-CB 4.23Å; L175-H217 HydrophobicContact CD2-CB 3.86Å
176	D	93.2	Very high	96.8	Very high	130 Å²	130	50.6 Å²	50.6	70%	0.695	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	6.1	179	-70.7	-8.9	0	0	0	114.5	M174 H217	M174-D176 VanDerWaalsContact C-N 3.25Å; M174-D176 PolarHBondContact O-N 3.32Å; M174-D176 VanDerWaalsContact O-N 3.13Å; D176-H217 IonicContact OD1-NE2 3.09Å; D176-H217 IonicContact OD2-NE2 2.85Å; D176-H217 PolarHBondContact OD2-NE2 3.22Å
177	H	94.6	Very high	96.8	Very high	59 Å²	59	56.6 Å²	56.6	27%	0.273	28%	0.275	S	S	.	.	S	Bend	trans	-93.7	140.1	-178.2	-168.9	-50.6	0	0	0	111.2	M174 L175 Y179 T180 R273	M174-H177 HydrophobicContact CB-CB 4.33Å; M174-H177 VanDerWaalsContact O-CB 3.24Å; M174-H177 WeakPolarHBondContact O-CB 3.32Å; M174-H177 PolarHBondContact O-N 3.05Å; L175-H177 VanDerWaalsContact C-N 3.35Å; H177-Y179 AromaticContact CE1-CD2 3.24Å; H177-Y179 WeakPolarHBondContact CE1-CD2 3.45Å; H177-Y179 AromaticContact CE1-CE2 3.63Å; H177-Y179 AromaticContact ND1-CD2 3.41Å; H177-Y179 WeakPolarHBondContact ND1-CD2 3.46Å; H177-Y179 PolarHBondContact ND1-N 2.96Å; H177-Y179 VanDerWaalsContact ND1-N 3.19Å; H177-Y179 AromaticContact NE2-CD2 3.88Å; H177-Y179 PolarHBondContact O-N 2.85Å; H177-T180 PolarHBondContact O-N 3.29Å; H177-T180 PolarHBondContact O-OG1 3.43Å; H177-R273 PolarHBondContact CD2-NH2 3.46Å; H177-R273 PolarHBondContact NE2-NH2 3.21Å
178	D	93.1	Very high	96.8	Very high	109 Å²	109	56.7 Å²	56.7	58%	0.583	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-6.9	173.5	-54.6	-12.1	0	0	0	117.1	T181	D178-T181 PolarHBondContact O-OG1 3.39Å
179	Y	95.7	Very high	96.8	Very high	27 Å²	27	56.7 Å²	56.7	11%	0.106	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-36.7	173	-84	-70.2	0	0	0	111.5	M174 H177 T181 K182 F185 R273 G274 M281	M174-Y179 HydrophobicContact CE-CD2 3.87Å; M174-Y179 HydrophobicContact CE-CG 4.12Å; H177-Y179 AromaticContact CE1-CD2 3.24Å; H177-Y179 WeakPolarHBondContact CE1-CD2 3.45Å; H177-Y179 AromaticContact CE1-CE2 3.63Å; H177-Y179 AromaticContact ND1-CD2 3.41Å; H177-Y179 WeakPolarHBondContact ND1-CD2 3.46Å; H177-Y179 PolarHBondContact ND1-N 2.96Å; H177-Y179 VanDerWaalsContact ND1-N 3.19Å; H177-Y179 AromaticContact NE2-CD2 3.88Å; H177-Y179 PolarHBondContact O-N 2.85Å; Y179-T181 PolarHBondContact O-N 3.1Å; Y179-K182 HydrophobicContact CD1-CD 4.34Å; Y179-K182 WeakPolarHBondContact O-CB 3.37Å; Y179-K182 PolarHBondContact O-N 2.84Å; Y179-F185 AromaticContact CD1-CD2 3.73Å; Y179-F185 HydrophobicContact CD1-CD2 3.73Å; Y179-F185 HydrophobicContact CD1-CE2 4.08Å; Y179-F185 HydrophobicContact CG-CD2 4.02Å; Y179-F185 HydrophobicContact CG-CE2 4.03Å; Y179-F185 WeakPolarHBondContact O-CB 3.24Å; Y179-F185 WeakPolarHBondContact O-CD1 3.28Å; Y179-F185 WeakPolarHBondContact O-CG 3.27Å; Y179-R273 HydrophobicContact CD2-CB 4.45Å; Y179-R273 HydrophobicContact CD2-CG 4.02Å; Y179-R273 HydrophobicContact CE1-CB 4.44Å; Y179-R273 HydrophobicContact CE2-CB 3.82Å; Y179-R273 HydrophobicContact CE2-CG 3.88Å; Y179-G274 PolarHBondContact OH-O 3.49Å; Y179-M281 HydrophobicContact CD1-SD 4.07Å; Y179-M281 HydrophobicContact CE1-SD 4.23Å
180	T	96.1	Very high	96.8	Very high	15 Å²	15	58.4 Å²	58.4	9%	0.092	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-9	-179.3	56.2	0	0	0	0	112.7	Y171 M174 L175 H177 F185 N186	Y171-T180 HydrophobicContact CD2-CG2 4.4Å; Y171-T180 HydrophobicContact CE1-CG2 4.43Å; Y171-T180 HydrophobicContact CE2-CG2 3.91Å; M174-T180 HydrophobicContact CB-CG2 4.19Å; M174-T180 WeakPolarHBondContact O-CG2 3.43Å; L175-T180 PolarHBondContact O-OG1 3.37Å; H177-T180 PolarHBondContact O-N 3.29Å; H177-T180 PolarHBondContact O-OG1 3.43Å; T180-F185 HydrophobicContact CG2-CE1 4.26Å; T180-N186 PolarHBondContact O-ND2 2.92Å; T180-N186 PolarHBondContact O-OD1 3.39Å
181	T	95.5	Very high	96.8	Very high	108 Å²	108	60.6 Å²	60.6	66%	0.663	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-11.5	170.2	65.1	0	0	0	0	112.9	D178 Y179	D178-T181 PolarHBondContact O-OG1 3.39Å; Y179-T181 PolarHBondContact O-N 3.1Å
182	K	96.8	Very high	96.8	Very high	64 Å²	64	60.4 Å²	60.4	28%	0.278	29%	0.289	S	S	.	.			trans	-92.1	126.4	-176.6	-61.4	-179.4	-179.7	-173	0	111.2	Y179 V184 F185 N186 G276 M281	Y179-K182 HydrophobicContact CD1-CD 4.34Å; Y179-K182 WeakPolarHBondContact O-CB 3.37Å; Y179-K182 PolarHBondContact O-N 2.84Å; K182-V184 PolarHBondContact O-N 3.29Å; K182-F185 HydrophobicContact CB-CB 4.08Å; K182-F185 WeakPolarHBondContact O-CB 3.36Å; K182-F185 PolarHBondContact O-N 3.36Å; K182-F185 VanDerWaalsContact O-N 3.13Å; K182-N186 PolarHBondContact O-N 2.86Å; K182-N186 VanDerWaalsContact O-N 3.12Å; K182-G276 PolarHBondContact NZ-O 3.01Å; K182-M281 HydrophobicContact CB-SD 4.24Å; K182-M281 HydrophobicContact CD-CE 4.23Å; K182-M281 HydrophobicContact CD-SD 3.51Å; K182-M281 VanDerWaalsContact CD-SD 3.51Å
183	E	97.2	Very high	96.8	Very high	172 Å²	172	60.4 Å²	60.4	80%	0.804	29%	0.289	S	S	*	.	H	α-helix	trans	-57.1	-46	-179.5	-63.9	-177.9	172.1	0	0	113	F185 N186 Y187	E183-F185 VanDerWaalsContact C-N 3.28Å; E183-F185 PolarHBondContact O-N 3Å; E183-N186 PolarHBondContact O-N 3.39Å; E183-Y187 WeakPolarHBondContact O-CB 3.42Å; E183-Y187 PolarHBondContact O-N 3.41Å
184	V	97.2	Very high	96.8	Very high	69 Å²	69	56.5 Å²	56.5	42%	0.418	28%	0.279	S	S	.	.	H	α-helix	trans	-59.2	-40	178.6	177.9	0	0	0	0	111.6	K182 N188 P279 M281	K182-V184 PolarHBondContact O-N 3.29Å; V184-N188 WeakPolarHBondContact O-CB 3.28Å; V184-N188 PolarHBondContact O-N 2.86Å; V184-N188 PolarHBondContact O-ND2 2.85Å; V184-N188 VanDerWaalsContact O-ND2 3.16Å; V184-P279 VanDerWaalsContact CG1-O 3.24Å; V184-P279 WeakPolarHBondContact CG1-O 3.24Å; V184-M281 HydrophobicContact CB-CG 4.39Å; V184-M281 HydrophobicContact CG1-CG 4.05Å
185	F	98.1	Very high	96.9	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-49.2	177.9	-173.8	-86.9	0	0	0	111	Y171 M174 Y179 T180 K182 E183 N188 F189 L271 M281 G282	Y171-F185 HydrophobicContact CD2-CE1 4.1Å; Y171-F185 HydrophobicContact CE2-CD1 4.37Å; Y171-F185 HydrophobicContact CE2-CE1 4.12Å; M174-F185 HydrophobicContact CE-CE2 4.07Å; M174-F185 HydrophobicContact CE-CZ 3.66Å; M174-F185 HydrophobicContact SD-CZ 4.12Å; Y179-F185 AromaticContact CD1-CD2 3.73Å; Y179-F185 HydrophobicContact CD1-CD2 3.73Å; Y179-F185 HydrophobicContact CD1-CE2 4.08Å; Y179-F185 HydrophobicContact CG-CD2 4.02Å; Y179-F185 HydrophobicContact CG-CE2 4.03Å; Y179-F185 WeakPolarHBondContact O-CB 3.24Å; Y179-F185 WeakPolarHBondContact O-CD1 3.28Å; Y179-F185 WeakPolarHBondContact O-CG 3.27Å; T180-F185 HydrophobicContact CG2-CE1 4.26Å; K182-F185 HydrophobicContact CB-CB 4.08Å; K182-F185 WeakPolarHBondContact O-CB 3.36Å; K182-F185 PolarHBondContact O-N 3.36Å; K182-F185 VanDerWaalsContact O-N 3.13Å; E183-F185 VanDerWaalsContact C-N 3.28Å; E183-F185 PolarHBondContact O-N 3Å; F185-N188 PolarHBondContact O-N 2.71Å; F185-F189 VanDerWaalsContact O-CB 3.27Å; F185-F189 WeakPolarHBondContact O-CB 3.48Å; F185-F189 PolarHBondContact O-N 2.99Å; F185-L271 HydrophobicContact CE1-CD1 3.96Å; F185-L271 HydrophobicContact CE2-CB 4.33Å; F185-L271 HydrophobicContact CZ-CB 3.95Å; F185-L271 HydrophobicContact CZ-CD1 3.67Å; F185-L271 HydrophobicContact CZ-CG 4.47Å; F185-M281 WeakPolarHBondContact CA-O 3.39Å; F185-M281 HydrophobicContact CB-CG 3.92Å; F185-M281 HydrophobicContact CB-SD 4.07Å; F185-M281 HydrophobicContact CD2-CB 4.14Å; F185-M281 HydrophobicContact CD2-CG 4.14Å; F185-G282 VanDerWaalsContact CE2-CA 3.44Å
186	N	98	Very high	97	Very high	35 Å²	35	61.2 Å²	61.2	19%	0.187	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-42.4	-179	-70.4	-14.1	0	0	0	112.2	Y171 T180 K182 E183 F190 L208	Y171-N186 WeakPolarHBondContact CE2-OD1 3.41Å; Y171-N186 PolarHBondContact OH-OD1 2.9Å; Y171-N186 VanDerWaalsContact OH-OD1 3.1Å; T180-N186 PolarHBondContact O-ND2 2.92Å; T180-N186 PolarHBondContact O-OD1 3.39Å; K182-N186 PolarHBondContact O-N 2.86Å; K182-N186 VanDerWaalsContact O-N 3.12Å; E183-N186 PolarHBondContact O-N 3.39Å; N186-F190 WeakPolarHBondContact O-CB 3.35Å; N186-F190 PolarHBondContact O-N 2.89Å; N186-L208 HydrophobicContact CB-CD2 3.67Å
187	Y	98.2	Very high	97.2	Very high	152 Å²	152	55.3 Å²	55.3	60%	0.596	27%	0.268	S	S	*	.	H	α-helix	trans	-60.8	-51.9	175.6	173.8	-101.8	0	0	0	111.8	E183 F190 R191	E183-Y187 WeakPolarHBondContact O-CB 3.42Å; E183-Y187 PolarHBondContact O-N 3.41Å; Y187-F190 PolarHBondContact O-N 2.72Å; Y187-R191 VanDerWaalsContact O-CB 3.31Å; Y187-R191 WeakPolarHBondContact O-CB 3.46Å; Y187-R191 PolarHBondContact O-N 3.04Å
188	N	98.4	Very high	97.3	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-41.9	-179.6	-78	-34.9	0	0	0	112.4	V184 F185 R191 D192 P279 M281 M283	V184-N188 WeakPolarHBondContact O-CB 3.28Å; V184-N188 PolarHBondContact O-N 2.86Å; V184-N188 PolarHBondContact O-ND2 2.85Å; V184-N188 VanDerWaalsContact O-ND2 3.16Å; F185-N188 PolarHBondContact O-N 2.71Å; N188-R191 PolarHBondContact OD1-NH1 2.95Å; N188-D192 PolarHBondContact O-N 3.18Å; N188-D192 VanDerWaalsContact O-N 3.09Å; N188-P279 PolarHBondContact ND2-O 2.92Å; N188-M281 VanDerWaalsContact CB-O 3.24Å; N188-M281 WeakPolarHBondContact CB-O 3Å; N188-M281 PolarHBondContact ND2-O 2.91Å; N188-M283 HydrophobicContact CB-CG 3.78Å
189	F	98.6	Very high	97.4	Very high	1 Å²	1	55.8 Å²	55.8	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-56.6	-55.5	174.1	162.5	-107.3	0	0	0	110.6	V167 Y171 F185 R191 D192 W193 L208 F213 L271 G282	V167-F189 HydrophobicContact CG1-CE2 3.92Å; Y171-F189 HydrophobicContact CD1-CE1 4.21Å; Y171-F189 HydrophobicContact CD1-CZ 4.48Å; Y171-F189 HydrophobicContact CD2-CB 4.27Å; Y171-F189 AromaticContact CD2-CD1 3.31Å; Y171-F189 HydrophobicContact CD2-CD1 3.31Å; Y171-F189 AromaticContact CD2-CD2 3.94Å; Y171-F189 HydrophobicContact CD2-CD2 3.94Å; Y171-F189 AromaticContact CD2-CE1 3.52Å; Y171-F189 HydrophobicContact CD2-CE1 3.52Å; Y171-F189 HydrophobicContact CD2-CE2 4.12Å; Y171-F189 AromaticContact CD2-CG 3.53Å; Y171-F189 HydrophobicContact CD2-CG 3.53Å; Y171-F189 AromaticContact CD2-CZ 3.93Å; Y171-F189 HydrophobicContact CD2-CZ 3.93Å; Y171-F189 AromaticContact CE2-CD1 3.65Å; Y171-F189 HydrophobicContact CE2-CD1 3.65Å; Y171-F189 HydrophobicContact CE2-CE1 4.08Å; Y171-F189 HydrophobicContact CE2-CG 4.12Å; Y171-F189 AromaticContact CG-CD1 3.92Å; Y171-F189 HydrophobicContact CG-CD1 3.92Å; Y171-F189 HydrophobicContact CG-CD2 4.38Å; Y171-F189 AromaticContact CG-CE1 3.6Å; Y171-F189 HydrophobicContact CG-CE1 3.6Å; Y171-F189 HydrophobicContact CG-CE2 4.1Å; Y171-F189 HydrophobicContact CG-CG 4.3Å; Y171-F189 AromaticContact CG-CZ 3.7Å; Y171-F189 HydrophobicContact CG-CZ 3.7Å; F185-F189 VanDerWaalsContact O-CB 3.27Å; F185-F189 WeakPolarHBondContact O-CB 3.48Å; F185-F189 PolarHBondContact O-N 2.99Å; F189-R191 VanDerWaalsContact C-N 3.34Å; F189-R191 PolarHBondContact O-N 2.92Å; F189-D192 PolarHBondContact O-N 3.11Å; F189-W193 HydrophobicContact CD2-CB 4.43Å; F189-W193 HydrophobicContact CE1-CD2 4.31Å; F189-W193 AromaticContact CE1-CE3 3.79Å; F189-W193 HydrophobicContact CE1-CE3 3.79Å; F189-W193 HydrophobicContact CE1-CZ3 4.4Å; F189-W193 HydrophobicContact CE2-CB 3.98Å; F189-W193 HydrophobicContact CE2-CD2 4.43Å; F189-W193 HydrophobicContact CE2-CG 4.15Å; F189-W193 HydrophobicContact CZ-CB 4.08Å; F189-W193 AromaticContact CZ-CD2 3.77Å; F189-W193 HydrophobicContact CZ-CD2 3.77Å; F189-W193 AromaticContact CZ-CE3 3.71Å; F189-W193 HydrophobicContact CZ-CE3 3.71Å; F189-W193 AromaticContact CZ-CG 3.96Å; F189-W193 HydrophobicContact CZ-CG 3.96Å; F189-W193 HydrophobicContact CZ-CZ3 4.44Å; F189-W193 VanDerWaalsContact O-CB 3.26Å; F189-W193 WeakPolarHBondContact O-CB 3.3Å; F189-W193 PolarHBondContact O-N 2.94Å; F189-L208 HydrophobicContact CD1-CD1 3.97Å; F189-L208 HydrophobicContact CD1-CD2 4.32Å; F189-L208 HydrophobicContact CE1-CD1 3.62Å; F189-F213 HydrophobicContact CE1-CZ 4.16Å; F189-F213 HydrophobicContact CZ-CZ 4.32Å; F189-L271 HydrophobicContact CD2-CD1 3.73Å; F189-L271 HydrophobicContact CD2-CD2 3.79Å; F189-L271 HydrophobicContact CD2-CG 4.42Å; F189-L271 HydrophobicContact CE2-CD1 4.32Å; F189-L271 HydrophobicContact CE2-CD2 4.42Å; F189-L271 HydrophobicContact CG-CD1 4.37Å; F189-G282 VanDerWaalsContact CA-O 3.28Å; F189-G282 WeakPolarHBondContact CA-O 3.48Å; F189-G282 PolarHBondContact N-O 2.83Å
190	F	98.4	Very high	97.4	Very high	38 Å²	38	61.4 Å²	61.4	17%	0.167	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-43.6	-174.9	-170.4	-113.3	0	0	0	111.4	N186 Y187 D192 W193 V194 I205 L208	N186-F190 WeakPolarHBondContact O-CB 3.35Å; N186-F190 PolarHBondContact O-N 2.89Å; Y187-F190 PolarHBondContact O-N 2.72Å; F190-D192 VanDerWaalsContact C-N 3.33Å; F190-D192 PolarHBondContact O-N 2.89Å; F190-W193 AromaticContact CD2-CE3 3.88Å; F190-W193 HydrophobicContact CD2-CE3 3.88Å; F190-W193 HydrophobicContact CD2-CZ3 4.19Å; F190-W193 HydrophobicContact CE2-CE3 4.13Å; F190-W193 HydrophobicContact CE2-CZ3 4.13Å; F190-W193 PolarHBondContact O-N 2.91Å; F190-V194 HydrophobicContact CD1-CG2 4.41Å; F190-V194 HydrophobicContact CE1-CG2 4.1Å; F190-V194 HydrophobicContact CE2-CG2 4.23Å; F190-V194 HydrophobicContact CZ-CG2 3.97Å; F190-V194 VanDerWaalsContact O-CG2 3.27Å; F190-V194 WeakPolarHBondContact O-CG2 3.48Å; F190-V194 PolarHBondContact O-N 2.84Å; F190-I205 HydrophobicContact CE2-CG2 3.93Å; F190-I205 HydrophobicContact CZ-CG2 4.28Å; F190-L208 HydrophobicContact CB-CB 4.3Å; F190-L208 HydrophobicContact CB-CD2 4.5Å; F190-L208 HydrophobicContact CD2-CB 3.75Å; F190-L208 HydrophobicContact CD2-CD1 4.06Å; F190-L208 HydrophobicContact CD2-CG 4.46Å; F190-L208 HydrophobicContact CE2-CB 4.26Å; F190-L208 HydrophobicContact CG-CB 4Å
191	R	98.1	Very high	97.5	Very high	81 Å²	81	61 Å²	61	31%	0.306	29%	0.294	S	S	.	.	H	α-helix	trans	-57.6	-43	176.3	-174.5	-163	68.9	-157.4	-5.9	112.6	Y187 N188 F189 M283	Y187-R191 VanDerWaalsContact O-CB 3.31Å; Y187-R191 WeakPolarHBondContact O-CB 3.46Å; Y187-R191 PolarHBondContact O-N 3.04Å; N188-R191 PolarHBondContact OD1-NH1 2.95Å; F189-R191 VanDerWaalsContact C-N 3.34Å; F189-R191 PolarHBondContact O-N 2.92Å; R191-M283 PolarHBondContact NH2-SD 2.68Å; R191-M283 VanDerWaalsContact NH2-SD 3.39Å
192	D	98.4	Very high	97.5	Very high	13 Å²	13	60.9 Å²	60.9	7%	0.07	28%	0.281	C	S	.	.	H	α-helix	trans	-81.8	-31.3	-178.3	-71.5	-8.4	0	0	0	112.4	N188 F189 F190 K195 M283 L284	N188-D192 PolarHBondContact O-N 3.18Å; N188-D192 VanDerWaalsContact O-N 3.09Å; F189-D192 PolarHBondContact O-N 3.11Å; F190-D192 VanDerWaalsContact C-N 3.33Å; F190-D192 PolarHBondContact O-N 2.89Å; D192-K195 WeakPolarHBondContact O-CB 3.2Å; D192-K195 PolarHBondContact O-N 3.14Å; D192-K195 IonicContact OD1-NZ 3.62Å; D192-K195 PolarHBondContact OD1-NZ 2.75Å; D192-M283 WeakPolarHBondContact OD2-CA 3.39Å; D192-M283 WeakPolarHBondContact OD2-CB 3.45Å; D192-L284 HydrophobicContact CB-CB 3.93Å; D192-L284 PolarHBondContact OD2-N 3.13Å; D192-L284 VanDerWaalsContact OD2-N 3.14Å
193	W	98.5	Very high	97.5	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-41.3	174.5	-177.5	35.4	0	0	0	112.4	F151 L160 A164 V167 A168 F189 F190 K195 T196 M197 I205 F213	F151-W193 HydrophobicContact CE1-CH2 4.2Å; F151-W193 AromaticContact CE2-CH2 3.97Å; F151-W193 HydrophobicContact CE2-CH2 3.97Å; F151-W193 AromaticContact CZ-CH2 3.63Å; F151-W193 HydrophobicContact CZ-CH2 3.63Å; F151-W193 HydrophobicContact CZ-CZ2 4.39Å; L160-W193 HydrophobicContact CD1-CZ2 3.96Å; L160-W193 HydrophobicContact CD2-CZ2 4.4Å; A164-W193 PolarHBondContact O-NE1 3.05Å; V167-W193 HydrophobicContact CG1-CB 3.88Å; V167-W193 HydrophobicContact CG1-CG 3.9Å; A168-W193 HydrophobicContact CB-CZ2 3.73Å; F189-W193 HydrophobicContact CD2-CB 4.43Å; F189-W193 HydrophobicContact CE1-CD2 4.31Å; F189-W193 AromaticContact CE1-CE3 3.79Å; F189-W193 HydrophobicContact CE1-CE3 3.79Å; F189-W193 HydrophobicContact CE1-CZ3 4.4Å; F189-W193 HydrophobicContact CE2-CB 3.98Å; F189-W193 HydrophobicContact CE2-CD2 4.43Å; F189-W193 HydrophobicContact CE2-CG 4.15Å; F189-W193 HydrophobicContact CZ-CB 4.08Å; F189-W193 AromaticContact CZ-CD2 3.77Å; F189-W193 HydrophobicContact CZ-CD2 3.77Å; F189-W193 AromaticContact CZ-CE3 3.71Å; F189-W193 HydrophobicContact CZ-CE3 3.71Å; F189-W193 AromaticContact CZ-CG 3.96Å; F189-W193 HydrophobicContact CZ-CG 3.96Å; F189-W193 HydrophobicContact CZ-CZ3 4.44Å; F189-W193 VanDerWaalsContact O-CB 3.26Å; F189-W193 WeakPolarHBondContact O-CB 3.3Å; F189-W193 PolarHBondContact O-N 2.94Å; F190-W193 AromaticContact CD2-CE3 3.88Å; F190-W193 HydrophobicContact CD2-CE3 3.88Å; F190-W193 HydrophobicContact CD2-CZ3 4.19Å; F190-W193 HydrophobicContact CE2-CE3 4.13Å; F190-W193 HydrophobicContact CE2-CZ3 4.13Å; F190-W193 PolarHBondContact O-N 2.91Å; W193-K195 PolarHBondContact O-N 2.8Å; W193-K195 VanDerWaalsContact O-N 3.1Å; W193-T196 PolarHBondContact O-N 2.57Å; W193-T196 PolarHBondContact O-OG1 3.38Å; W193-M197 HydrophobicContact CD2-CE 3.33Å; W193-M197 HydrophobicContact CE3-CE 3.53Å; W193-M197 HydrophobicContact CG-CE 3.91Å; W193-M197 HydrophobicContact CH2-CE 3.72Å; W193-M197 HydrophobicContact CZ2-CE 3.53Å; W193-M197 HydrophobicContact CZ3-CE 3.72Å; W193-M197 PolarHBondContact O-N 2.83Å; W193-I205 HydrophobicContact CH2-CD1 4.29Å; W193-I205 HydrophobicContact CH2-CG2 4.25Å; W193-I205 HydrophobicContact CZ2-CD1 4.47Å; W193-I205 HydrophobicContact CZ3-CG2 4.12Å; W193-F213 AromaticContact CH2-CE1 3.97Å; W193-F213 HydrophobicContact CH2-CE1 3.97Å; W193-F213 AromaticContact CH2-CZ 3.87Å; W193-F213 HydrophobicContact CH2-CZ 3.87Å; W193-F213 HydrophobicContact CZ2-CE1 4.39Å; W193-F213 HydrophobicContact CZ3-CE1 4.31Å; W193-F213 AromaticContact CZ3-CZ 3.79Å; W193-F213 HydrophobicContact CZ3-CZ 3.79Å
194	V	97.8	Very high	97.4	Very high	40 Å²	40	60.5 Å²	60.5	24%	0.242	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-28	174.4	169.5	0	0	0	0	112.2	F190 T196 M197 R202	F190-V194 HydrophobicContact CD1-CG2 4.41Å; F190-V194 HydrophobicContact CE1-CG2 4.1Å; F190-V194 HydrophobicContact CE2-CG2 4.23Å; F190-V194 HydrophobicContact CZ-CG2 3.97Å; F190-V194 VanDerWaalsContact O-CG2 3.27Å; F190-V194 WeakPolarHBondContact O-CG2 3.48Å; F190-V194 PolarHBondContact O-N 2.84Å; V194-T196 VanDerWaalsContact C-N 3.32Å; V194-M197 HydrophobicContact CG2-CE 4.43Å; V194-M197 HydrophobicContact CG2-SD 4.29Å; V194-R202 HydrophobicContact CG1-CG 4.09Å; V194-R202 WeakPolarHBondContact O-CD 3.35Å; V194-R202 WeakPolarHBondContact O-CG 3.4Å
195	K	97.4	Very high	97.4	Very high	133 Å²	133	57.3 Å²	57.3	58%	0.578	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-20	176.8	-59.8	169.8	-170.1	162.2	0	113.1	D192 W193	D192-K195 WeakPolarHBondContact O-CB 3.2Å; D192-K195 PolarHBondContact O-N 3.14Å; D192-K195 IonicContact OD1-NZ 3.62Å; D192-K195 PolarHBondContact OD1-NZ 2.75Å; W193-K195 PolarHBondContact O-N 2.8Å; W193-K195 VanDerWaalsContact O-N 3.1Å
196	T	97	Very high	97.3	Very high	33 Å²	33	63.9 Å²	63.9	20%	0.202	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-10.6	177.9	72.7	0	0	0	0	113.3	H163 V167 W193 V194 L284	H163-T196 PolarHBondContact O-OG1 3.39Å; V167-T196 HydrophobicContact CG2-CG2 4Å; W193-T196 PolarHBondContact O-N 2.57Å; W193-T196 PolarHBondContact O-OG1 3.38Å; V194-T196 VanDerWaalsContact C-N 3.32Å; T196-L284 HydrophobicContact CG2-CD2 3.76Å
197	M	97.7	Very high	97.2	Very high	6 Å²	6	64.1 Å²	64.1	3%	0.03	29%	0.291	C	S	.	.	S	Bend	trans	-70.9	152	175.6	-72.2	175.8	-170.5	0	0	112.8	A164 W193 V194 E201 R202 I205	A164-M197 HydrophobicContact CB-CG 4.01Å; W193-M197 HydrophobicContact CD2-CE 3.33Å; W193-M197 HydrophobicContact CE3-CE 3.53Å; W193-M197 HydrophobicContact CG-CE 3.91Å; W193-M197 HydrophobicContact CH2-CE 3.72Å; W193-M197 HydrophobicContact CZ2-CE 3.53Å; W193-M197 HydrophobicContact CZ3-CE 3.72Å; W193-M197 PolarHBondContact O-N 2.83Å; V194-M197 HydrophobicContact CG2-CE 4.43Å; V194-M197 HydrophobicContact CG2-SD 4.29Å; M197-E201 WeakPolarHBondContact CA-OE2 3.24Å; M197-E201 HydrophobicContact CB-CB 3.68Å; M197-E201 HydrophobicContact CG-CB 3.86Å; M197-E201 HydrophobicContact SD-CB 4.11Å; M197-R202 HydrophobicContact CB-CG 3.66Å; M197-R202 PolarHBondContact O-NH1 3.19Å; M197-R202 HydrophobicContact SD-CG 4.49Å; M197-I205 HydrophobicContact CE-CB 4.04Å; M197-I205 HydrophobicContact CE-CD1 3.73Å; M197-I205 HydrophobicContact CE-CG2 3.83Å; M197-I205 HydrophobicContact SD-CB 4.12Å; M197-I205 HydrophobicContact SD-CD1 4.08Å
198	N	97.1	Very high	97.2	Very high	64 Å²	64	58.4 Å²	58.4	34%	0.342	27%	0.27	S	S	.	.			trans	-74.6	177.9	165.1	70.3	32.7	0	0	0	111.1	E200 E201 R202	N198-E200 PolarHBondContact O-N 3.23Å; N198-E200 PolarHBondContact OD1-N 3.19Å; N198-E200 VanDerWaalsContact OD1-N 3.11Å; N198-E201 VanDerWaalsContact CG-CD 3.43Å; N198-E201 PolarHBondContact N-OE2 2.77Å; N198-E201 PolarHBondContact ND2-OE1 3.48Å; N198-E201 WeakPolarHBondContact OD1-CB 3.33Å; N198-E201 VanDerWaalsContact OD1-CG 3.31Å; N198-E201 WeakPolarHBondContact OD1-CG 3.37Å; N198-E201 PolarHBondContact OD1-N 2.75Å; N198-R202 WeakPolarHBondContact O-CB 3.14Å; N198-R202 VanDerWaalsContact O-CG 3.32Å; N198-R202 WeakPolarHBondContact O-CG 3.2Å; N198-R202 PolarHBondContact O-N 3.16Å
199	E	96.3	Very high	97.1	Very high	113 Å²	113	63.2 Å²	63.2	53%	0.528	31%	0.305	S	S	.	.	H	α-helix	trans	-65.5	-38.7	-176.3	-169.4	174.2	-177.2	0	0	113.8	R202 R203	E199-R202 PolarHBondContact O-N 2.8Å; E199-R203 VanDerWaalsContact O-CG 3.3Å; E199-R203 WeakPolarHBondContact O-CG 3.5Å; E199-R203 PolarHBondContact O-N 3.27Å; E199-R203 IonicContact OE1-CZ 2.73Å; E199-R203 IonicContact OE1-NE 2.66Å; E199-R203 IonicContact OE1-NH2 2.65Å; E199-R203 PolarHBondContact OE1-NH2 3.03Å
200	E	95.8	Very high	97	Very high	145 Å²	145	67.7 Å²	67.7	68%	0.678	32%	0.324	S	S	*	.	H	α-helix	trans	-65.8	-45.5	179.1	-175.8	-178.9	175.8	0	0	111.9	N198 R202 R203 T204	N198-E200 PolarHBondContact O-N 3.23Å; N198-E200 PolarHBondContact OD1-N 3.19Å; N198-E200 VanDerWaalsContact OD1-N 3.11Å; E200-R202 PolarHBondContact O-N 3.43Å; E200-R203 WeakPolarHBondContact O-CB 3.33Å; E200-R203 PolarHBondContact O-N 3.46Å; E200-R203 VanDerWaalsContact O-N 3.16Å; E200-T204 PolarHBondContact O-N 3.21Å; E200-T204 PolarHBondContact O-OG1 3.36Å; E200-T204 VanDerWaalsContact O-OG1 3.04Å
201	E	97	Very high	97	Very high	8 Å²	8	66.7 Å²	66.7	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-59.9	-45.6	174.7	-74.9	159.6	-173.4	0	0	111.2	L160 S161 A164 M197 N198 R203 T204 I205	L160-E201 VanDerWaalsContact C-OE1 3.31Å; L160-E201 WeakPolarHBondContact CA-OE1 3.47Å; L160-E201 HydrophobicContact CD2-CG 4.31Å; S161-E201 WeakPolarHBondContact CA-OE1 3.35Å; S161-E201 WeakPolarHBondContact CB-OE1 3.18Å; S161-E201 PolarHBondContact N-OE1 3.11Å; S161-E201 PolarHBondContact OG-OE1 3.32Å; S161-E201 PolarHBondContact OG-OE2 3.06Å; A164-E201 WeakPolarHBondContact CB-OE2 3.27Å; M197-E201 WeakPolarHBondContact CA-OE2 3.24Å; M197-E201 HydrophobicContact CB-CB 3.68Å; M197-E201 HydrophobicContact CG-CB 3.86Å; M197-E201 HydrophobicContact SD-CB 4.11Å; N198-E201 VanDerWaalsContact CG-CD 3.43Å; N198-E201 PolarHBondContact N-OE2 2.77Å; N198-E201 PolarHBondContact ND2-OE1 3.48Å; N198-E201 WeakPolarHBondContact OD1-CB 3.33Å; N198-E201 VanDerWaalsContact OD1-CG 3.31Å; N198-E201 WeakPolarHBondContact OD1-CG 3.37Å; N198-E201 PolarHBondContact OD1-N 2.75Å; E201-R203 VanDerWaalsContact C-N 3.25Å; E201-R203 PolarHBondContact O-N 2.82Å; E201-T204 PolarHBondContact O-N 2.92Å; E201-T204 VanDerWaalsContact O-N 3.13Å; E201-I205 HydrophobicContact CB-CD1 4.47Å; E201-I205 WeakPolarHBondContact O-CB 3.17Å; E201-I205 PolarHBondContact O-N 3.48Å
202	R	96	Very high	97	Very high	105 Å²	105	64.9 Å²	64.9	40%	0.396	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-31.1	176.4	-74.7	-168.6	-68.3	-106.4	0.2	112.8	V194 M197 N198 E199 E200 K206	V194-R202 HydrophobicContact CG1-CG 4.09Å; V194-R202 WeakPolarHBondContact O-CD 3.35Å; V194-R202 WeakPolarHBondContact O-CG 3.4Å; M197-R202 HydrophobicContact CB-CG 3.66Å; M197-R202 PolarHBondContact O-NH1 3.19Å; M197-R202 HydrophobicContact SD-CG 4.49Å; N198-R202 WeakPolarHBondContact O-CB 3.14Å; N198-R202 VanDerWaalsContact O-CG 3.32Å; N198-R202 WeakPolarHBondContact O-CG 3.2Å; N198-R202 PolarHBondContact O-N 3.16Å; E199-R202 PolarHBondContact O-N 2.8Å; E200-R202 PolarHBondContact O-N 3.43Å; R202-K206 WeakPolarHBondContact O-CE 3.31Å; R202-K206 PolarHBondContact O-NZ 3.11Å
203	R	95.8	Very high	96.9	Very high	168 Å²	168	64.6 Å²	64.6	63%	0.634	32%	0.316	S	S	*	.	H	α-helix	trans	-73.9	-33.6	175.7	-73.3	172.9	-174.9	-171.3	2.5	111.6	E199 E200 E201 K206	E199-R203 VanDerWaalsContact O-CG 3.3Å; E199-R203 WeakPolarHBondContact O-CG 3.5Å; E199-R203 PolarHBondContact O-N 3.27Å; E199-R203 IonicContact OE1-CZ 2.73Å; E199-R203 IonicContact OE1-NE 2.66Å; E199-R203 IonicContact OE1-NH2 2.65Å; E199-R203 PolarHBondContact OE1-NH2 3.03Å; E200-R203 WeakPolarHBondContact O-CB 3.33Å; E200-R203 PolarHBondContact O-N 3.46Å; E200-R203 VanDerWaalsContact O-N 3.16Å; E201-R203 VanDerWaalsContact C-N 3.25Å; E201-R203 PolarHBondContact O-N 2.82Å; R203-K206 WeakPolarHBondContact O-CE 3.47Å
204	T	96.2	Very high	96.9	Very high	59 Å²	59	72.1 Å²	72.1	36%	0.362	34%	0.344	S	S	.	.	H	α-helix	trans	-86.3	-51	-177.2	-53.3	0	0	0	0	112.7	Y153 I158 E200 E201 K206	Y153-T204 HydrophobicContact CD1-CG2 4.01Å; Y153-T204 HydrophobicContact CE1-CG2 4.31Å; Y153-T204 WeakPolarHBondContact CE1-O 3.25Å; Y153-T204 PolarHBondContact OH-O 3.3Å; I158-T204 HydrophobicContact CD1-CG2 3.49Å; I158-T204 VanDerWaalsContact CD1-CG2 3.49Å; E200-T204 PolarHBondContact O-N 3.21Å; E200-T204 PolarHBondContact O-OG1 3.36Å; E200-T204 VanDerWaalsContact O-OG1 3.04Å; E201-T204 PolarHBondContact O-N 2.92Å; E201-T204 VanDerWaalsContact O-N 3.13Å; T204-K206 PolarHBondContact O-N 2.89Å
205	I	96.7	Very high	96.9	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.01	35%	0.345	C	S	.	.			trans	-86.2	95.2	-171.6	-56.1	169	0	0	0	109.8	F151 Y153 L160 F190 W193 M197 E201	F151-I205 HydrophobicContact CE1-CD1 3.84Å; F151-I205 HydrophobicContact CE1-CG1 4.43Å; F151-I205 HydrophobicContact CZ-CD1 4.49Å; Y153-I205 HydrophobicContact CD2-CB 4.4Å; Y153-I205 HydrophobicContact CD2-CG1 4.22Å; Y153-I205 HydrophobicContact CD2-CG2 4.05Å; Y153-I205 HydrophobicContact CE2-CB 4.32Å; Y153-I205 HydrophobicContact CE2-CG2 3.94Å; Y153-I205 HydrophobicContact CG-CG1 4.32Å; L160-I205 HydrophobicContact CD2-CD1 3.68Å; F190-I205 HydrophobicContact CE2-CG2 3.93Å; F190-I205 HydrophobicContact CZ-CG2 4.28Å; W193-I205 HydrophobicContact CH2-CD1 4.29Å; W193-I205 HydrophobicContact CH2-CG2 4.25Å; W193-I205 HydrophobicContact CZ2-CD1 4.47Å; W193-I205 HydrophobicContact CZ3-CG2 4.12Å; M197-I205 HydrophobicContact CE-CB 4.04Å; M197-I205 HydrophobicContact CE-CD1 3.73Å; M197-I205 HydrophobicContact CE-CG2 3.83Å; M197-I205 HydrophobicContact SD-CB 4.12Å; M197-I205 HydrophobicContact SD-CD1 4.08Å; E201-I205 HydrophobicContact CB-CD1 4.47Å; E201-I205 WeakPolarHBondContact O-CB 3.17Å; E201-I205 PolarHBondContact O-N 3.48Å
206	K	96.2	Very high	96.9	Very high	138 Å²	138	66.5 Å²	66.5	60%	0.6	32%	0.318	S	S	*	.			trans	-104.4	-17.2	-176.7	-62.2	-54.7	-165.4	-170.7	0	115.7	Y153 R202 R203 T204	Y153-K206 PolarHBondContact OH-N 2.95Å; R202-K206 WeakPolarHBondContact O-CE 3.31Å; R202-K206 PolarHBondContact O-NZ 3.11Å; R203-K206 WeakPolarHBondContact O-CE 3.47Å; T204-K206 PolarHBondContact O-N 2.89Å
207	S	96.4	Very high	96.9	Very high	41 Å²	41	65.7 Å²	65.7	29%	0.287	31%	0.312	S	S	.	.			trans	-145.4	132.6	-177.1	-178.5	0	0	0	0	111.5	Y153 S209 K210 C211	Y153-S207 WeakPolarHBondContact CE2-O 3.37Å; Y153-S207 PolarHBondContact OH-N 2.89Å; S207-S209 PolarHBondContact O-N 2.92Å; S207-S209 PolarHBondContact OG-N 3.23Å; S207-S209 PolarHBondContact OG-OG 3.26Å; S207-K210 PolarHBondContact O-N 3.49Å; S207-C211 PolarHBondContact O-SG 3.13Å
208	L	96.9	Very high	96.9	Very high	31 Å²	31	71.7 Å²	71.7	16%	0.162	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-60.2	-33	172.8	-174	64.5	0	0	0	112.1	N186 F189 F190 K210 C211 F213	N186-L208 HydrophobicContact CB-CD2 3.67Å; F189-L208 HydrophobicContact CD1-CD1 3.97Å; F189-L208 HydrophobicContact CD1-CD2 4.32Å; F189-L208 HydrophobicContact CE1-CD1 3.62Å; F190-L208 HydrophobicContact CB-CB 4.3Å; F190-L208 HydrophobicContact CB-CD2 4.5Å; F190-L208 HydrophobicContact CD2-CB 3.75Å; F190-L208 HydrophobicContact CD2-CD1 4.06Å; F190-L208 HydrophobicContact CD2-CG 4.46Å; F190-L208 HydrophobicContact CE2-CB 4.26Å; F190-L208 HydrophobicContact CG-CB 4Å; L208-K210 PolarHBondContact O-N 3.12Å; L208-C211 HydrophobicContact CD1-CB 4.37Å; L208-C211 VanDerWaalsContact O-CB 3.24Å; L208-C211 WeakPolarHBondContact O-CB 3.24Å; L208-C211 PolarHBondContact O-N 3.33Å; L208-F213 HydrophobicContact CD1-CE2 3.74Å; L208-F213 HydrophobicContact CD1-CZ 3.97Å
209	S	96.1	Very high	97	Very high	109 Å²	109	71.4 Å²	71.4	76%	0.762	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-66.1	-19.9	-178.7	62.8	0	0	0	0	114.2	S207	S207-S209 PolarHBondContact O-N 2.92Å; S207-S209 PolarHBondContact OG-N 3.23Å; S207-S209 PolarHBondContact OG-OG 3.26Å
210	K	97.5	Very high	97	Very high	95 Å²	95	66.7 Å²	66.7	41%	0.413	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-92.1	-5.6	174.6	-70	-170.7	168.8	-155	0	113.1	Y153 D154 S207 L208	Y153-K210 WeakPolarHBondContact CA-O 3.33Å; Y153-K210 HydrophobicContact CD2-CB 3.96Å; Y153-K210 HydrophobicContact CE1-CD 4.45Å; Y153-K210 HydrophobicContact CE2-CB 3.47Å; Y153-K210 VanDerWaalsContact CE2-CB 3.47Å; Y153-K210 HydrophobicContact CE2-CD 4.46Å; D154-K210 HydrophobicContact CB-CD 4.32Å; D154-K210 PolarHBondContact N-O 3.27Å; D154-K210 IonicContact OD1-NZ 3.15Å; D154-K210 IonicContact OD2-NZ 3.3Å; D154-K210 PolarHBondContact OD2-NZ 2.99Å; S207-K210 PolarHBondContact O-N 3.49Å; L208-K210 PolarHBondContact O-N 3.12Å
211	C	97.9	Very high	97	Very high	17 Å²	17	64 Å²	64	12%	0.115	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	133.9	179.8	-59.2	0	0	0	0	109.9	F151 S207 L208 F213	F151-C211 HydrophobicContact CE2-CB 3.82Å; F151-C211 HydrophobicContact CZ-CB 3.79Å; S207-C211 PolarHBondContact O-SG 3.13Å; L208-C211 HydrophobicContact CD1-CB 4.37Å; L208-C211 VanDerWaalsContact O-CB 3.24Å; L208-C211 WeakPolarHBondContact O-CB 3.24Å; L208-C211 PolarHBondContact O-N 3.33Å; C211-F213 HydrophobicContact CB-CD2 4.29Å; C211-F213 HydrophobicContact CB-CE2 3.47Å; C211-F213 VanDerWaalsContact CB-CE2 3.47Å; C211-F213 HydrophobicContact CB-CZ 3.72Å
212	D	97.6	Very high	97	Very high	42 Å²	42	70 Å²	70	23%	0.225	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	114.1	174.8	-179.5	9.2	0	0	0	110.6	H152 R214	H152-D212 HydrophobicContact CB-CB 4.02Å; H152-D212 PolarHBondContact N-O 3.27Å; H152-D212 PolarHBondContact O-N 3.36Å; D212-R214 VanDerWaalsContact CG-NE 3.31Å; D212-R214 VanDerWaalsContact OD1-CB 3.24Å; D212-R214 WeakPolarHBondContact OD1-CB 3.44Å; D212-R214 WeakPolarHBondContact OD1-CG 3.24Å; D212-R214 IonicContact OD1-CZ 2.86Å; D212-R214 PolarHBondContact OD1-N 3.28Å; D212-R214 IonicContact OD1-NE 3.77Å; D212-R214 PolarHBondContact OD1-NE 3.25Å; D212-R214 IonicContact OD1-NH2 3.51Å; D212-R214 IonicContact OD2-CZ 2.87Å; D212-R214 VanDerWaalsContact OD2-CZ 3.28Å; D212-R214 IonicContact OD2-NE 2.65Å; D212-R214 PolarHBondContact OD2-NE 2.85Å; D212-R214 VanDerWaalsContact OD2-NE 3.08Å; D212-R214 IonicContact OD2-NH2 3.98Å; D212-R214 PolarHBondContact OD2-NH2 2.85Å
213	F	98	Very high	96.9	Very high	8 Å²	8	66.9 Å²	66.9	4%	0.035	32%	0.319	C	S	.	.			trans	-102.3	3.4	-178.2	-56.7	-86	0	0	0	112.8	F151 A168 Y171 A172 F189 W193 L208 C211 E215 M216 H217	F151-F213 HydrophobicContact CD2-CD1 4.04Å; F151-F213 HydrophobicContact CD2-CE1 4.05Å; F151-F213 AromaticContact CE2-CD1 4Å; F151-F213 HydrophobicContact CE2-CD1 4Å; F151-F213 AromaticContact CE2-CE1 3.66Å; F151-F213 HydrophobicContact CE2-CE1 3.66Å; F151-F213 AromaticContact CE2-CZ 3.96Å; F151-F213 HydrophobicContact CE2-CZ 3.96Å; A168-F213 HydrophobicContact CB-CD1 4.46Å; A168-F213 HydrophobicContact CB-CE1 3.99Å; Y171-F213 HydrophobicContact CD1-CD1 4.3Å; Y171-F213 AromaticContact CD1-CD2 3.64Å; Y171-F213 HydrophobicContact CD1-CD2 3.64Å; Y171-F213 HydrophobicContact CD1-CE1 4.34Å; Y171-F213 AromaticContact CD1-CE2 3.67Å; Y171-F213 HydrophobicContact CD1-CE2 3.67Å; Y171-F213 AromaticContact CD1-CG 3.96Å; Y171-F213 HydrophobicContact CD1-CG 3.96Å; Y171-F213 HydrophobicContact CD1-CZ 4.03Å; Y171-F213 AromaticContact CE1-CD2 3.7Å; Y171-F213 HydrophobicContact CE1-CD2 3.7Å; Y171-F213 AromaticContact CE1-CE2 3.73Å; Y171-F213 HydrophobicContact CE1-CE2 3.73Å; Y171-F213 HydrophobicContact CE1-CG 4.43Å; Y171-F213 HydrophobicContact CE1-CZ 4.48Å; A172-F213 HydrophobicContact CB-CB 3.99Å; A172-F213 HydrophobicContact CB-CD1 4.39Å; F189-F213 HydrophobicContact CE1-CZ 4.16Å; F189-F213 HydrophobicContact CZ-CZ 4.32Å; W193-F213 AromaticContact CH2-CE1 3.97Å; W193-F213 HydrophobicContact CH2-CE1 3.97Å; W193-F213 AromaticContact CH2-CZ 3.87Å; W193-F213 HydrophobicContact CH2-CZ 3.87Å; W193-F213 HydrophobicContact CZ2-CE1 4.39Å; W193-F213 HydrophobicContact CZ3-CE1 4.31Å; W193-F213 AromaticContact CZ3-CZ 3.79Å; W193-F213 HydrophobicContact CZ3-CZ 3.79Å; L208-F213 HydrophobicContact CD1-CE2 3.74Å; L208-F213 HydrophobicContact CD1-CZ 3.97Å; C211-F213 HydrophobicContact CB-CD2 4.29Å; C211-F213 HydrophobicContact CB-CE2 3.47Å; C211-F213 VanDerWaalsContact CB-CE2 3.47Å; C211-F213 HydrophobicContact CB-CZ 3.72Å; F213-E215 PolarHBondContact O-N 3.28Å; F213-M216 HydrophobicContact CD1-SD 4.06Å; F213-M216 PolarHBondContact O-N 2.72Å; F213-H217 WeakPolarHBondContact O-CB 3.32Å; F213-H217 PolarHBondContact O-N 3.35Å
214	R	97.2	Very high	96.9	Very high	157 Å²	157	60.6 Å²	60.6	59%	0.592	30%	0.3	S	S	*	.	H	α-helix	trans	-61.9	-39.9	-170.9	-71.3	175.1	-67.7	-178	1.1	112.9	L175 D212 H217 Q218	L175-R214 HydrophobicContact CD2-CG 3.96Å; D212-R214 VanDerWaalsContact CG-NE 3.31Å; D212-R214 VanDerWaalsContact OD1-CB 3.24Å; D212-R214 WeakPolarHBondContact OD1-CB 3.44Å; D212-R214 WeakPolarHBondContact OD1-CG 3.24Å; D212-R214 IonicContact OD1-CZ 2.86Å; D212-R214 PolarHBondContact OD1-N 3.28Å; D212-R214 IonicContact OD1-NE 3.77Å; D212-R214 PolarHBondContact OD1-NE 3.25Å; D212-R214 IonicContact OD1-NH2 3.51Å; D212-R214 IonicContact OD2-CZ 2.87Å; D212-R214 VanDerWaalsContact OD2-CZ 3.28Å; D212-R214 IonicContact OD2-NE 2.65Å; D212-R214 PolarHBondContact OD2-NE 2.85Å; D212-R214 VanDerWaalsContact OD2-NE 3.08Å; D212-R214 IonicContact OD2-NH2 3.98Å; D212-R214 PolarHBondContact OD2-NH2 2.85Å; R214-H217 WeakPolarHBondContact O-CB 3.14Å; R214-H217 PolarHBondContact O-N 2.83Å; R214-Q218 WeakPolarHBondContact O-CB 3.5Å; R214-Q218 VanDerWaalsContact O-CG 3.3Å; R214-Q218 WeakPolarHBondContact O-CG 3.39Å; R214-Q218 PolarHBondContact O-N 2.81Å
215	E	97.4	Very high	96.8	Very high	55 Å²	55	62.4 Å²	62.4	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-44.8	178.1	-170.6	178	155	0	0	111.7	S148 V149 H150 H152 F213 H217 Q218 Y219	S148-E215 VanDerWaalsContact O-OE1 3.07Å; V149-E215 WeakPolarHBondContact CA-OE1 3.4Å; V149-E215 HydrophobicContact CG1-CG 4.3Å; H150-E215 IonicContact CG-OE1 3.09Å; H150-E215 VanDerWaalsContact N-CD 3.29Å; H150-E215 PolarHBondContact N-OE1 2.83Å; H150-E215 IonicContact ND1-OE1 2.64Å; H150-E215 PolarHBondContact ND1-OE1 3.33Å; H152-E215 IonicContact CE1-OE2 3.71Å; H152-E215 PolarHBondContact CE1-OE2 2.94Å; H152-E215 IonicContact ND1-OE2 3.99Å; F213-E215 PolarHBondContact O-N 3.28Å; E215-H217 VanDerWaalsContact C-N 3.32Å; E215-H217 PolarHBondContact O-N 2.76Å; E215-Q218 PolarHBondContact O-N 2.72Å; E215-Y219 PolarHBondContact O-N 3.12Å
216	M	98	Very high	96.7	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-59.1	-43.6	171.6	-59.8	173.2	76.8	0	0	111.4	L145 V149 F151 A168 A172 F213 Y219 F220	L145-M216 HydrophobicContact CD1-CB 4.4Å; L145-M216 HydrophobicContact CD1-CE 3.53Å; L145-M216 HydrophobicContact CD1-CG 3.8Å; L145-M216 HydrophobicContact CD1-SD 4.38Å; V149-M216 HydrophobicContact CG1-CG 4.37Å; F151-M216 HydrophobicContact CB-SD 4.01Å; F151-M216 HydrophobicContact CD2-SD 4.14Å; A168-M216 HydrophobicContact CB-CE 3.81Å; A168-M216 HydrophobicContact CB-SD 4.4Å; A172-M216 HydrophobicContact CB-CB 3.63Å; A172-M216 HydrophobicContact CB-CE 4.4Å; A172-M216 HydrophobicContact CB-SD 4.36Å; F213-M216 HydrophobicContact CD1-SD 4.06Å; F213-M216 PolarHBondContact O-N 2.72Å; M216-Y219 WeakPolarHBondContact O-CB 3.3Å; M216-Y219 PolarHBondContact O-N 3.19Å; M216-F220 HydrophobicContact CB-CE2 4.26Å; M216-F220 WeakPolarHBondContact O-CD2 3.48Å; M216-F220 WeakPolarHBondContact O-CG 3.46Å; M216-F220 PolarHBondContact O-N 3.48Å
217	H	97.9	Very high	96.5	Very high	16 Å²	16	64.6 Å²	64.6	7%	0.074	31%	0.313	C	S	.	.	H	α-helix	trans	-60.7	-48.4	178.2	-178.9	66.6	0	0	0	111.6	A172 L175 D176 F213 R214 E215 Y219 F220 L221	A172-H217 WeakPolarHBondContact O-CB 3.37Å; A172-H217 PolarHBondContact O-ND1 3.14Å; L175-H217 HydrophobicContact CB-CB 4.23Å; L175-H217 HydrophobicContact CD2-CB 3.86Å; D176-H217 IonicContact OD1-NE2 3.09Å; D176-H217 IonicContact OD2-NE2 2.85Å; D176-H217 PolarHBondContact OD2-NE2 3.22Å; F213-H217 WeakPolarHBondContact O-CB 3.32Å; F213-H217 PolarHBondContact O-N 3.35Å; R214-H217 WeakPolarHBondContact O-CB 3.14Å; R214-H217 PolarHBondContact O-N 2.83Å; E215-H217 VanDerWaalsContact C-N 3.32Å; E215-H217 PolarHBondContact O-N 2.76Å; H217-Y219 VanDerWaalsContact C-N 3.31Å; H217-Y219 PolarHBondContact O-N 2.93Å; H217-F220 PolarHBondContact O-N 3.43Å; H217-F220 VanDerWaalsContact O-N 3.11Å; H217-L221 WeakPolarHBondContact NE2-CD1 3.49Å; H217-L221 WeakPolarHBondContact O-CG 3.47Å; H217-L221 PolarHBondContact O-N 2.84Å
218	Q	97.7	Very high	96.3	Very high	131 Å²	131	68.7 Å²	68.7	61%	0.612	33%	0.326	S	S	*	.	H	α-helix	trans	-58.5	-41.8	176	-74.9	175.2	-3.7	0	0	112	R214 E215 L221 K222	R214-Q218 WeakPolarHBondContact O-CB 3.5Å; R214-Q218 VanDerWaalsContact O-CG 3.3Å; R214-Q218 WeakPolarHBondContact O-CG 3.39Å; R214-Q218 PolarHBondContact O-N 2.81Å; E215-Q218 PolarHBondContact O-N 2.72Å; Q218-L221 PolarHBondContact O-N 3.28Å; Q218-K222 WeakPolarHBondContact O-CB 3.41Å; Q218-K222 PolarHBondContact O-N 3.06Å
219	Y	97.8	Very high	96.1	Very high	58 Å²	58	72.8 Å²	72.8	23%	0.227	35%	0.348	C	S	.	.	H	α-helix	trans	-60.1	-45.4	173.8	173.4	-104.6	0	0	0	112.1	L145 P146 V149 E215 M216 H217 L221 K222 L223	L145-Y219 HydrophobicContact CD2-CD1 3.43Å; L145-Y219 VanDerWaalsContact CD2-CD1 3.43Å; L145-Y219 HydrophobicContact CD2-CE1 3.39Å; L145-Y219 HydrophobicContact CD2-CG 4.49Å; P146-Y219 VanDerWaalsContact CD-CZ 3.48Å; P146-Y219 WeakPolarHBondContact CD-OH 3.26Å; P146-Y219 HydrophobicContact CG-CE2 3.71Å; V149-Y219 HydrophobicContact CG1-CG 4.23Å; V149-Y219 HydrophobicContact CG2-CD2 3.68Å; V149-Y219 HydrophobicContact CG2-CE2 4.33Å; V149-Y219 HydrophobicContact CG2-CG 3.79Å; E215-Y219 PolarHBondContact O-N 3.12Å; M216-Y219 WeakPolarHBondContact O-CB 3.3Å; M216-Y219 PolarHBondContact O-N 3.19Å; H217-Y219 VanDerWaalsContact C-N 3.31Å; H217-Y219 PolarHBondContact O-N 2.93Å; Y219-L221 PolarHBondContact O-N 3.32Å; Y219-K222 WeakPolarHBondContact O-CB 3.22Å; Y219-K222 PolarHBondContact O-N 3.11Å; Y219-L223 HydrophobicContact CD1-CD1 3.98Å; Y219-L223 HydrophobicContact CD1-CG 4.39Å; Y219-L223 HydrophobicContact CE1-CD1 3.29Å; Y219-L223 HydrophobicContact CE1-CG 3.92Å; Y219-L223 HydrophobicContact CE2-CD1 4.32Å; Y219-L223 HydrophobicContact CE2-CD2 4.29Å; Y219-L223 HydrophobicContact CE2-CG 4.09Å; Y219-L223 VanDerWaalsContact CZ-CD1 3.5Å; Y219-L223 PolarHBondContact O-N 2.83Å
220	F	97	Very high	95.9	Very high	15 Å²	15	72 Å²	72	7%	0.066	33%	0.328	C	S	.	.	H	α-helix	trans	-68.2	-33.1	178	-66.7	-51.9	0	0	0	113.7	L145 A172 R173 M216 H217 L223 S224	L145-F220 HydrophobicContact CD2-CE1 3.93Å; L145-F220 HydrophobicContact CD2-CZ 3.73Å; A172-F220 HydrophobicContact CB-CD2 4.14Å; A172-F220 HydrophobicContact CB-CE2 4Å; R173-F220 HydrophobicContact CG-CB 3.93Å; R173-F220 HydrophobicContact CG-CD1 4.14Å; R173-F220 HydrophobicContact CG-CD2 3.49Å; R173-F220 VanDerWaalsContact CG-CD2 3.49Å; R173-F220 HydrophobicContact CG-CE2 3.99Å; R173-F220 HydrophobicContact CG-CG 3.58Å; R173-F220 HydrophobicContact CG-CZ 4.49Å; R173-F220 VanDerWaalsContact CZ-CE1 3.45Å; R173-F220 VanDerWaalsContact NH2-CD1 3.29Å; M216-F220 HydrophobicContact CB-CE2 4.26Å; M216-F220 WeakPolarHBondContact O-CD2 3.48Å; M216-F220 WeakPolarHBondContact O-CG 3.46Å; M216-F220 PolarHBondContact O-N 3.48Å; H217-F220 PolarHBondContact O-N 3.43Å; H217-F220 VanDerWaalsContact O-N 3.11Å; F220-L223 HydrophobicContact CD1-CD1 4.12Å; F220-S224 WeakPolarHBondContact O-CB 3.15Å; F220-S224 PolarHBondContact O-N 3.28Å
221	L	96.3	Very high	95.8	Very high	89 Å²	89	70.6 Å²	70.6	47%	0.466	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-47.6	170.1	-72.4	-179.1	0	0	0	110.7	H217 Q218 Y219 L223 S224 E225	H217-L221 WeakPolarHBondContact NE2-CD1 3.49Å; H217-L221 WeakPolarHBondContact O-CG 3.47Å; H217-L221 PolarHBondContact O-N 2.84Å; Q218-L221 PolarHBondContact O-N 3.28Å; Y219-L221 PolarHBondContact O-N 3.32Å; L221-L223 PolarHBondContact O-N 2.91Å; L221-S224 WeakPolarHBondContact O-CA 3.47Å; L221-S224 WeakPolarHBondContact O-CB 3.36Å; L221-S224 PolarHBondContact O-N 3.02Å; L221-S224 VanDerWaalsContact O-N 3.07Å; L221-E225 PolarHBondContact O-N 2.97Å
222	K	96.6	Very high	95.7	Very high	134 Å²	134	78.2 Å²	78.2	58%	0.583	36%	0.359	S	S	*	.	H	α-helix	trans	-57.8	-49.1	175.8	-174.1	-174.6	178.9	-168.3	0	111.5	Q218 Y219 S224 E225 E226	Q218-K222 WeakPolarHBondContact O-CB 3.41Å; Q218-K222 PolarHBondContact O-N 3.06Å; Y219-K222 WeakPolarHBondContact O-CB 3.22Å; Y219-K222 PolarHBondContact O-N 3.11Å; K222-S224 PolarHBondContact O-N 3.25Å; K222-E225 WeakPolarHBondContact O-CB 3.46Å; K222-E225 PolarHBondContact O-N 3.13Å; K222-E226 WeakPolarHBondContact CE-OE1 3.42Å; K222-E226 IonicContact NZ-OE1 3.44Å; K222-E226 WeakPolarHBondContact O-CG 3.44Å; K222-E226 PolarHBondContact O-N 2.81Å
223	L	94.5	Very high	95.6	Very high	39 Å²	39	82.9 Å²	82.9	20%	0.204	38%	0.379	C	S	.	.	H	α-helix	trans	-57.9	-38.2	174.6	-76.2	-177.4	0	0	0	112	Y219 F220 L221 E225 R227	Y219-L223 HydrophobicContact CD1-CD1 3.98Å; Y219-L223 HydrophobicContact CD1-CG 4.39Å; Y219-L223 HydrophobicContact CE1-CD1 3.29Å; Y219-L223 HydrophobicContact CE1-CG 3.92Å; Y219-L223 HydrophobicContact CE2-CD1 4.32Å; Y219-L223 HydrophobicContact CE2-CD2 4.29Å; Y219-L223 HydrophobicContact CE2-CG 4.09Å; Y219-L223 VanDerWaalsContact CZ-CD1 3.5Å; Y219-L223 PolarHBondContact O-N 2.83Å; F220-L223 HydrophobicContact CD1-CD1 4.12Å; L221-L223 PolarHBondContact O-N 2.91Å; L223-E225 VanDerWaalsContact C-N 3.35Å; L223-R227 WeakPolarHBondContact O-CB 3.48Å; L223-R227 VanDerWaalsContact O-CG 3.27Å; L223-R227 WeakPolarHBondContact O-CG 3.33Å; L223-R227 PolarHBondContact O-N 2.74Å; L223-R227 PolarHBondContact O-NH1 3.41Å
224	S	94.1	Very high	95.4	Very high	36 Å²	36	87 Å²	87	25%	0.252	40%	0.398	S	S	.	.	H	α-helix	trans	-67.1	-36.8	176.4	-168.1	0	0	0	0	112.6	F220 L221 K222 K228	F220-S224 WeakPolarHBondContact O-CB 3.15Å; F220-S224 PolarHBondContact O-N 3.28Å; L221-S224 WeakPolarHBondContact O-CA 3.47Å; L221-S224 WeakPolarHBondContact O-CB 3.36Å; L221-S224 PolarHBondContact O-N 3.02Å; L221-S224 VanDerWaalsContact O-N 3.07Å; K222-S224 PolarHBondContact O-N 3.25Å; S224-K228 WeakPolarHBondContact O-CG 3.16Å; S224-K228 PolarHBondContact O-N 3.37Å
225	E	94.9	Very high	95.2	Very high	96 Å²	96	84.3 Å²	84.3	45%	0.449	39%	0.391	S	S	.	.	H	α-helix	trans	-70.5	-43.8	177.8	-156.6	63.9	-161.5	0	0	110.9	L221 K222 L223 R227 K228 N229	L221-E225 PolarHBondContact O-N 2.97Å; K222-E225 WeakPolarHBondContact O-CB 3.46Å; K222-E225 PolarHBondContact O-N 3.13Å; L223-E225 VanDerWaalsContact C-N 3.35Å; E225-R227 VanDerWaalsContact C-N 3.34Å; E225-R227 PolarHBondContact O-N 3.04Å; E225-K228 WeakPolarHBondContact O-CB 3.41Å; E225-K228 PolarHBondContact O-N 2.93Å; E225-K228 VanDerWaalsContact O-N 3.11Å; E225-K228 IonicContact OE2-NZ 3.93Å; E225-N229 WeakPolarHBondContact O-CB 3.48Å; E225-N229 PolarHBondContact O-N 3Å; E225-N229 PolarHBondContact O-ND2 3.29Å
226	E	94.5	Very high	95.1	Very high	92 Å²	92	85.9 Å²	85.9	43%	0.43	40%	0.398	S	S	.	.	H	α-helix	trans	-56.4	-46	171.6	-72	171.4	-177	0	0	111.3	K222 K228 N229 R230	K222-E226 WeakPolarHBondContact CE-OE1 3.42Å; K222-E226 IonicContact NZ-OE1 3.44Å; K222-E226 WeakPolarHBondContact O-CG 3.44Å; K222-E226 PolarHBondContact O-N 2.81Å; E226-K228 VanDerWaalsContact C-N 3.3Å; E226-K228 PolarHBondContact O-N 3.11Å; E226-N229 CarbonylContact O-C 3.57Å; E226-N229 PolarHBondContact O-N 2.66Å; E226-N229 VanDerWaalsContact O-N 3.11Å; E226-R230 PolarHBondContact O-N 3.17Å
227	R	92.4	Very high	95	Very high	95 Å²	95	92 Å²	92	36%	0.358	43%	0.425	S	S	.	.	H	α-helix	trans	-57.7	-39.7	175.4	-76.5	-165.9	-60.8	-84	-1.4	112.9	L223 E225	L223-R227 WeakPolarHBondContact O-CB 3.48Å; L223-R227 VanDerWaalsContact O-CG 3.27Å; L223-R227 WeakPolarHBondContact O-CG 3.33Å; L223-R227 PolarHBondContact O-N 2.74Å; L223-R227 PolarHBondContact O-NH1 3.41Å; E225-R227 VanDerWaalsContact C-N 3.34Å; E225-R227 PolarHBondContact O-N 3.04Å
228	K	91.8	Very high	94.8	Very high	127 Å²	127	93.6 Å²	93.6	55%	0.552	43%	0.434	S	S	*	.	H	α-helix	trans	-69.6	-37.5	177.2	-69.1	167.9	-171	166.1	0	111.3	S224 E225 E226 K235	S224-K228 WeakPolarHBondContact O-CG 3.16Å; S224-K228 PolarHBondContact O-N 3.37Å; E225-K228 WeakPolarHBondContact O-CB 3.41Å; E225-K228 PolarHBondContact O-N 2.93Å; E225-K228 VanDerWaalsContact O-N 3.11Å; E225-K228 IonicContact OE2-NZ 3.93Å; E226-K228 VanDerWaalsContact C-N 3.3Å; E226-K228 PolarHBondContact O-N 3.11Å; K228-K235 PolarHBondContact O-NZ 3.11Å
229	N	93.3	Very high	94.6	Very high	116 Å²	116	94 Å²	94	62%	0.62	43%	0.433	S	S	*	.	H	α-helix	trans	-86.9	-1.8	-176	-67.6	-24.5	0	0	0	115.1	E225 E226	E225-N229 WeakPolarHBondContact O-CB 3.48Å; E225-N229 PolarHBondContact O-N 3Å; E225-N229 PolarHBondContact O-ND2 3.29Å; E226-N229 CarbonylContact O-C 3.57Å; E226-N229 PolarHBondContact O-N 2.66Å; E226-N229 VanDerWaalsContact O-N 3.11Å
230	R	92.3	Very high	94.5	Very high	93 Å²	93	95.8 Å²	95.8	35%	0.351	44%	0.444	S	S	.	.			trans	-43.8	142.1	171.8	-77.2	176.2	-179.7	157.7	-7.6	112.9	E226 E234 K235 I238	E226-R230 PolarHBondContact O-N 3.17Å; R230-E234 VanDerWaalsContact CA-OE2 3.23Å; R230-E234 WeakPolarHBondContact CA-OE2 3.42Å; R230-E234 HydrophobicContact CB-CB 4.17Å; R230-E234 WeakPolarHBondContact CB-OE2 3.42Å; R230-E234 HydrophobicContact CG-CB 4.46Å; R230-E234 WeakPolarHBondContact CG-OE2 3.39Å; R230-K235 HydrophobicContact CB-CD 4.48Å; R230-K235 HydrophobicContact CB-CG 3.99Å; R230-K235 VanDerWaalsContact O-CE 3.26Å; R230-K235 WeakPolarHBondContact O-CE 3.45Å; R230-K235 PolarHBondContact O-NZ 3.32Å; R230-I238 VanDerWaalsContact NH1-CD1 3.26Å
231	T	95.2	Very high	94.5	Very high	65 Å²	65	99.2 Å²	99.2	40%	0.399	46%	0.46	S	S	.	.			trans	-63.9	166.3	179.5	70.2	0	0	0	0	111	E233 E234 K235	T231-E233 WeakPolarHBondContact CB-OE2 3.24Å; T231-E233 PolarHBondContact O-N 3.16Å; T231-E233 PolarHBondContact OG1-OE2 3.48Å; T231-E234 PolarHBondContact N-OE2 3Å; T231-E234 VanDerWaalsContact OG1-CG 3.29Å; T231-E234 WeakPolarHBondContact OG1-CG 3.35Å; T231-E234 PolarHBondContact OG1-N 3.28Å; T231-E234 VanDerWaalsContact OG1-N 3.12Å; T231-K235 WeakPolarHBondContact O-CB 3.38Å; T231-K235 WeakPolarHBondContact O-CG 3.38Å; T231-K235 PolarHBondContact O-N 3.41Å; T231-K235 VanDerWaalsContact O-N 3.07Å
232	K	94.7	Very high	94.4	Very high	178 Å²	178	98.4 Å²	98.4	77%	0.774	46%	0.456	S	S	*	.	H	α-helix	trans	-64.5	-36.7	176.8	-73.3	-178.1	-179.3	173.7	0	110.6	K235 Q236	K232-K235 PolarHBondContact O-N 3.21Å; K232-Q236 WeakPolarHBondContact O-CB 3.41Å; K232-Q236 PolarHBondContact O-N 3.33Å
233	E	95.5	Very high	94.3	Very high	139 Å²	139	96.8 Å²	96.8	65%	0.65	45%	0.453	S	S	*	.	H	α-helix	trans	-63.6	-48.5	178.5	-62.1	72.1	-156.3	0	0	110.9	T231 K235 Q236 K237	T231-E233 WeakPolarHBondContact CB-OE2 3.24Å; T231-E233 PolarHBondContact O-N 3.16Å; T231-E233 PolarHBondContact OG1-OE2 3.48Å; E233-K235 PolarHBondContact O-N 2.96Å; E233-Q236 PolarHBondContact O-N 3.45Å; E233-K237 PolarHBondContact O-N 3.06Å
234	E	94.6	Very high	94.4	Very high	95 Å²	95	101.1 Å²	101.1	44%	0.444	47%	0.472	S	S	.	.	H	α-helix	trans	-63.1	-43.7	176.5	-72	171.1	156.7	0	0	112.3	R230 T231 Q236 K237 I238	R230-E234 VanDerWaalsContact CA-OE2 3.23Å; R230-E234 WeakPolarHBondContact CA-OE2 3.42Å; R230-E234 HydrophobicContact CB-CB 4.17Å; R230-E234 WeakPolarHBondContact CB-OE2 3.42Å; R230-E234 HydrophobicContact CG-CB 4.46Å; R230-E234 WeakPolarHBondContact CG-OE2 3.39Å; T231-E234 PolarHBondContact N-OE2 3Å; T231-E234 VanDerWaalsContact OG1-CG 3.29Å; T231-E234 WeakPolarHBondContact OG1-CG 3.35Å; T231-E234 PolarHBondContact OG1-N 3.28Å; T231-E234 VanDerWaalsContact OG1-N 3.12Å; E234-Q236 VanDerWaalsContact C-N 3.28Å; E234-Q236 PolarHBondContact O-N 3.49Å; E234-K237 PolarHBondContact O-N 2.92Å; E234-I238 WeakPolarHBondContact O-CG1 3.49Å; E234-I238 PolarHBondContact O-N 3.36Å
235	K	92.8	Very high	94.5	Very high	101 Å²	101	101.8 Å²	101.8	44%	0.439	47%	0.472	S	S	.	.	H	α-helix	trans	-62	-37.3	176.3	-76.3	170.7	174.8	148.7	0	111.7	K228 R230 T231 K232 E233 K239	K228-K235 PolarHBondContact O-NZ 3.11Å; R230-K235 HydrophobicContact CB-CD 4.48Å; R230-K235 HydrophobicContact CB-CG 3.99Å; R230-K235 VanDerWaalsContact O-CE 3.26Å; R230-K235 WeakPolarHBondContact O-CE 3.45Å; R230-K235 PolarHBondContact O-NZ 3.32Å; T231-K235 WeakPolarHBondContact O-CB 3.38Å; T231-K235 WeakPolarHBondContact O-CG 3.38Å; T231-K235 PolarHBondContact O-N 3.41Å; T231-K235 VanDerWaalsContact O-N 3.07Å; K232-K235 PolarHBondContact O-N 3.21Å; E233-K235 PolarHBondContact O-N 2.96Å; K235-K239 WeakPolarHBondContact O-CB 3.25Å; K235-K239 PolarHBondContact O-N 3.05Å; K235-K239 VanDerWaalsContact O-N 3.13Å
236	Q	94.6	Very high	94.5	Very high	87 Å²	87	99.2 Å²	99.2	41%	0.407	46%	0.46	S	S	.	.	H	α-helix	trans	-69.8	-44.3	177.5	-176.9	59.5	26.5	0	0	111.3	K232 E233 E234 I238 K239 E240	K232-Q236 WeakPolarHBondContact O-CB 3.41Å; K232-Q236 PolarHBondContact O-N 3.33Å; E233-Q236 PolarHBondContact O-N 3.45Å; E234-Q236 VanDerWaalsContact C-N 3.28Å; E234-Q236 PolarHBondContact O-N 3.49Å; Q236-I238 PolarHBondContact O-N 3.42Å; Q236-K239 WeakPolarHBondContact O-CB 3.12Å; Q236-K239 PolarHBondContact O-N 3.25Å; Q236-K239 VanDerWaalsContact O-N 3.12Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.42Å; Q236-E240 PolarHBondContact NE2-OE1 2.87Å; Q236-E240 WeakPolarHBondContact O-CG 3.4Å; Q236-E240 PolarHBondContact O-N 3.19Å
237	K	96.2	Very high	94.6	Very high	130 Å²	130	99 Å²	99	57%	0.565	46%	0.463	S	S	*	.	H	α-helix	trans	-57.1	-49.5	174.9	-175.5	179.9	175.9	-175.8	0	112.2	E233 E234 K239 E240 E241	E233-K237 PolarHBondContact O-N 3.06Å; E234-K237 PolarHBondContact O-N 2.92Å; K237-K239 PolarHBondContact O-N 3.29Å; K237-E240 PolarHBondContact O-N 3.07Å; K237-E240 VanDerWaalsContact O-N 3.13Å; K237-E241 WeakPolarHBondContact CE-OE1 3.44Å; K237-E241 WeakPolarHBondContact O-CG 3.41Å; K237-E241 PolarHBondContact O-N 2.87Å
238	I	93.5	Very high	94.7	Very high	50 Å²	50	99.5 Å²	99.5	26%	0.256	47%	0.469	S	S	.	.	H	α-helix	trans	-61.5	-35.3	177.5	-67.8	170.1	0	0	0	111.4	R230 E234 Q236 N242	R230-I238 VanDerWaalsContact NH1-CD1 3.26Å; E234-I238 WeakPolarHBondContact O-CG1 3.49Å; E234-I238 PolarHBondContact O-N 3.36Å; Q236-I238 PolarHBondContact O-N 3.42Å; I238-N242 WeakPolarHBondContact CG2-ND2 3.31Å; I238-N242 WeakPolarHBondContact O-CB 3.25Å; I238-N242 PolarHBondContact O-N 2.63Å; I238-N242 PolarHBondContact O-ND2 2.95Å
239	K	93.8	Very high	95	Very high	139 Å²	139	96 Å²	96	60%	0.604	45%	0.453	S	S	*	.	H	α-helix	trans	-68.5	-37.9	177.5	-175.3	-176.8	176.1	-170.7	0	111.7	K235 Q236 K237 L243	K235-K239 WeakPolarHBondContact O-CB 3.25Å; K235-K239 PolarHBondContact O-N 3.05Å; K235-K239 VanDerWaalsContact O-N 3.13Å; Q236-K239 WeakPolarHBondContact O-CB 3.12Å; Q236-K239 PolarHBondContact O-N 3.25Å; Q236-K239 VanDerWaalsContact O-N 3.12Å; K237-K239 PolarHBondContact O-N 3.29Å; K239-L243 WeakPolarHBondContact O-CB 3.41Å; K239-L243 PolarHBondContact O-N 3.28Å
240	E	96.2	Very high	95.2	Very high	96 Å²	96	90.5 Å²	90.5	45%	0.449	42%	0.423	S	S	.	.	H	α-helix	trans	-68.1	-45.7	176	-72.6	166.8	-169.1	0	0	111.6	Q236 K237 N242 L243 Q244	Q236-E240 WeakPolarHBondContact CG-OE1 3.42Å; Q236-E240 PolarHBondContact NE2-OE1 2.87Å; Q236-E240 WeakPolarHBondContact O-CG 3.4Å; Q236-E240 PolarHBondContact O-N 3.19Å; K237-E240 PolarHBondContact O-N 3.07Å; K237-E240 VanDerWaalsContact O-N 3.13Å; E240-N242 VanDerWaalsContact C-N 3.34Å; E240-N242 PolarHBondContact O-N 2.7Å; E240-L243 WeakPolarHBondContact O-CB 3.48Å; E240-L243 PolarHBondContact O-N 2.97Å; E240-L243 VanDerWaalsContact O-N 3.09Å; E240-Q244 WeakPolarHBondContact O-CG 3.2Å; E240-Q244 PolarHBondContact O-N 2.98Å
241	E	95.7	Very high	95.5	Very high	86 Å²	86	88.5 Å²	88.5	40%	0.402	42%	0.416	S	S	.	.	H	α-helix	trans	-57.2	-45.9	173.1	-70.9	169.9	-177.4	0	0	111.4	K237 L243 Q244 I245	K237-E241 WeakPolarHBondContact CE-OE1 3.44Å; K237-E241 WeakPolarHBondContact O-CG 3.41Å; K237-E241 PolarHBondContact O-N 2.87Å; E241-L243 VanDerWaalsContact C-N 3.29Å; E241-L243 PolarHBondContact O-N 3.13Å; E241-Q244 PolarHBondContact O-N 2.9Å; E241-I245 WeakPolarHBondContact O-CG1 3.48Å; E241-I245 PolarHBondContact O-N 2.97Å
242	N	94.8	Very high	95.6	Very high	72 Å²	72	85.6 Å²	85.6	39%	0.385	40%	0.398	S	S	.	.	H	α-helix	trans	-64.8	-32.1	176.1	-81.4	-56.6	0	0	0	113.3	I238 E240 Q246	I238-N242 WeakPolarHBondContact CG2-ND2 3.31Å; I238-N242 WeakPolarHBondContact O-CB 3.25Å; I238-N242 PolarHBondContact O-N 2.63Å; I238-N242 PolarHBondContact O-ND2 2.95Å; E240-N242 VanDerWaalsContact C-N 3.34Å; E240-N242 PolarHBondContact O-N 2.7Å; N242-Q246 VanDerWaalsContact O-CB 3.31Å; N242-Q246 WeakPolarHBondContact O-CB 3.47Å; N242-Q246 PolarHBondContact O-N 2.59Å
243	L	94.9	Very high	95.7	Very high	100 Å²	100	79.9 Å²	79.9	52%	0.524	38%	0.375	S	S	.	.	H	α-helix	trans	-71.2	-39.4	175.9	-178.4	62.8	0	0	0	111.2	K239 E240 E241 Q246 N247	K239-L243 WeakPolarHBondContact O-CB 3.41Å; K239-L243 PolarHBondContact O-N 3.28Å; E240-L243 WeakPolarHBondContact O-CB 3.48Å; E240-L243 PolarHBondContact O-N 2.97Å; E240-L243 VanDerWaalsContact O-N 3.09Å; E241-L243 VanDerWaalsContact C-N 3.29Å; E241-L243 PolarHBondContact O-N 3.13Å; L243-Q246 PolarHBondContact O-N 3.02Å; L243-N247 WeakPolarHBondContact O-CB 3.41Å; L243-N247 PolarHBondContact O-N 2.89Å; L243-N247 PolarHBondContact O-ND2 2.96Å
244	Q	96.8	Very high	95.8	Very high	130 Å²	130	73.3 Å²	73.3	61%	0.607	35%	0.345	S	S	*	.	H	α-helix	trans	-60.4	-49.1	173.2	-70.1	173.7	-1	0	0	110.7	E240 E241 Q246 N247 E248	E240-Q244 WeakPolarHBondContact O-CG 3.2Å; E240-Q244 PolarHBondContact O-N 2.98Å; E241-Q244 PolarHBondContact O-N 2.9Å; Q244-Q246 VanDerWaalsContact C-N 3.3Å; Q244-Q246 PolarHBondContact O-N 3.12Å; Q244-N247 PolarHBondContact O-N 3.4Å; Q244-N247 VanDerWaalsContact O-N 3.07Å; Q244-E248 PolarHBondContact O-N 3.42Å
245	I	96.5	Very high	95.8	Very high	50 Å²	50	70.7 Å²	70.7	26%	0.256	33%	0.334	S	S	.	.	H	α-helix	trans	-57.2	-43.4	174.5	-69.9	169.7	0	0	0	111.4	L137 E241 N247 E248 Y249 F264	L137-I245 HydrophobicContact CD2-CG2 3.5Å; E241-I245 WeakPolarHBondContact O-CG1 3.48Å; E241-I245 PolarHBondContact O-N 2.97Å; I245-N247 VanDerWaalsContact C-N 3.33Å; I245-N247 PolarHBondContact O-N 2.82Å; I245-E248 PolarHBondContact O-N 3.38Å; I245-Y249 HydrophobicContact CG2-CD2 4.48Å; I245-Y249 PolarHBondContact O-N 2.91Å; I245-F264 HydrophobicContact CG2-CE2 3.79Å; I245-F264 HydrophobicContact CG2-CZ 4.23Å
246	Q	95.2	Very high	95.9	Very high	42 Å²	42	68.8 Å²	68.8	20%	0.196	34%	0.343	C	S	.	.	H	α-helix	trans	-64.4	-36.4	176.9	-179.3	66.7	45.8	0	0	112.4	N242 L243 Q244 G250 Y251 F264	N242-Q246 VanDerWaalsContact O-CB 3.31Å; N242-Q246 WeakPolarHBondContact O-CB 3.47Å; N242-Q246 PolarHBondContact O-N 2.59Å; L243-Q246 PolarHBondContact O-N 3.02Å; Q244-Q246 VanDerWaalsContact C-N 3.3Å; Q244-Q246 PolarHBondContact O-N 3.12Å; Q246-G250 WeakPolarHBondContact O-CA 3.19Å; Q246-G250 PolarHBondContact O-N 3.21Å; Q246-Y251 WeakPolarHBondContact O-CD2 3.33Å; Q246-Y251 WeakPolarHBondContact O-CE2 3.23Å; Q246-F264 VanDerWaalsContact OE1-CE1 3.24Å
247	N	95.2	Very high	95.9	Very high	89 Å²	89	67.6 Å²	67.6	48%	0.476	34%	0.337	S	S	.	.	H	α-helix	trans	-71.8	-34.8	178.5	-71.5	-18.6	0	0	0	112	L243 Q244 I245	L243-N247 WeakPolarHBondContact O-CB 3.41Å; L243-N247 PolarHBondContact O-N 2.89Å; L243-N247 PolarHBondContact O-ND2 2.96Å; Q244-N247 PolarHBondContact O-N 3.4Å; Q244-N247 VanDerWaalsContact O-N 3.07Å; I245-N247 VanDerWaalsContact C-N 3.33Å; I245-N247 PolarHBondContact O-N 2.82Å
248	E	95.8	Very high	95.9	Very high	104 Å²	104	67.5 Å²	67.5	49%	0.486	34%	0.337	S	S	.	.	H	α-helix	trans	-80.4	-51.5	-179.3	-172.4	179.4	170.7	0	0	112.7	K134 Q244 I245	K134-E248 VanDerWaalsContact CG-O 3.31Å; K134-E248 WeakPolarHBondContact CG-O 3.36Å; Q244-E248 PolarHBondContact O-N 3.42Å; I245-E248 PolarHBondContact O-N 3.38Å
249	Y	97.9	Very high	95.9	Very high	55 Å²	55	66 Å²	66	22%	0.216	33%	0.329	C	S	.	.	H	α-helix	trans	-103.7	-14.6	-173.3	-66.3	-90.6	0	0	0	113.9	K134 L137 I245 Y251 F264	K134-Y249 HydrophobicContact CB-CD1 4.06Å; K134-Y249 HydrophobicContact CB-CE1 4.26Å; L137-Y249 HydrophobicContact CB-CD1 4.45Å; L137-Y249 HydrophobicContact CB-CG 4.41Å; L137-Y249 HydrophobicContact CD1-CD2 4.33Å; L137-Y249 HydrophobicContact CD1-CE2 4.21Å; I245-Y249 HydrophobicContact CG2-CD2 4.48Å; I245-Y249 PolarHBondContact O-N 2.91Å; Y249-Y251 VanDerWaalsContact C-N 3.3Å; Y249-Y251 PolarHBondContact O-N 2.96Å; Y249-F264 VanDerWaalsContact CB-CD2 3.41Å; Y249-F264 HydrophobicContact CG-CD2 4.48Å; Y249-F264 WeakPolarHBondContact O-CB 3.34Å; Y249-F264 WeakPolarHBondContact O-CG 3.38Å
250	G	97.2	Very high	96.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.314	C	S	.	.	S	Bend	trans	-85.9	4.3	-171.3	0	0	0	0	0	115.4	Q246 R260 I261	Q246-G250 WeakPolarHBondContact O-CA 3.19Å; Q246-G250 PolarHBondContact O-N 3.21Å; G250-R260 WeakPolarHBondContact O-CA 3.49Å; G250-I261 PolarHBondContact O-N 3Å
251	Y	97.5	Very high	96.1	Very high	51 Å²	51	58.8 Å²	58.8	20%	0.2	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152.5	180	-60.5	-87.9	0	0	0	111.5	Q246 Y249 K258 Q259 R260	Q246-Y251 WeakPolarHBondContact O-CD2 3.33Å; Q246-Y251 WeakPolarHBondContact O-CE2 3.23Å; Y249-Y251 VanDerWaalsContact C-N 3.3Å; Y249-Y251 PolarHBondContact O-N 2.96Å; Y251-K258 HydrophobicContact CD1-CD 4.31Å; Y251-K258 HydrophobicContact CD1-CG 3.96Å; Y251-K258 HydrophobicContact CG-CD 4.35Å; Y251-K258 HydrophobicContact CG-CG 4.18Å; Y251-Q259 CarbonylContact C-O 3.38Å; Y251-Q259 WeakPolarHBondContact CA-O 3.43Å; Y251-R260 HydrophobicContact CD1-CB 4.13Å; Y251-R260 HydrophobicContact CE1-CB 3.97Å; Y251-R260 HydrophobicContact CE1-CG 4.36Å; Y251-R260 PolarHBondContact OH-NH2 3.49Å
252	C	97.8	Very high	96	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.02	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	168	166	70.1	0	0	0	0	109.4	L131 E132 H133 K258 Q259 I261 L324 L340	L131-C252 HydrophobicContact CD1-CB 4.39Å; E132-C252 CarbonylContact O-C 3.58Å; E132-C252 WeakPolarHBondContact O-CA 3.46Å; E132-C252 WeakPolarHBondContact O-CB 3.27Å; H133-C252 HydrophobicContact CB-CB 3.74Å; C252-K258 CarbonylContact O-C 3.53Å; C252-K258 WeakPolarHBondContact O-CA 3.27Å; C252-Q259 PolarHBondContact N-O 3.07Å; C252-Q259 PolarHBondContact O-N 2.86Å; C252-I261 HydrophobicContact CB-CD1 4.12Å; C252-I261 HydrophobicContact CB-CG1 4.24Å; C252-L324 HydrophobicContact CB-CD2 3.92Å; C252-L340 WeakPolarHBondContact SG-CD2 3.35Å
253	I	97.7	Very high	96	Very high	58 Å²	58	55.9 Å²	55.9	30%	0.297	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.1	164.2	-53.1	-55.8	0	0	0	107.2	F130 L131 E132 K258	F130-I253 HydrophobicContact CD1-CB 4.49Å; F130-I253 HydrophobicContact CD1-CG2 4.01Å; F130-I253 HydrophobicContact CE1-CB 4.13Å; F130-I253 HydrophobicContact CE1-CG2 3.9Å; L131-I253 WeakPolarHBondContact CA-O 3.29Å; E132-I253 HydrophobicContact CB-CB 4.4Å; E132-I253 PolarHBondContact N-O 3.27Å; E132-I253 PolarHBondContact O-N 3.34Å; I253-K258 HydrophobicContact CD1-CB 4.05Å; I253-K258 HydrophobicContact CD1-CG 4.28Å
254	L	96.3	Very high	96.2	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.4	177	-173.6	85.3	0	0	0	107.8	W114 W128 F130 L131 G256 H257 Q259 L340 L346	W114-L254 HydrophobicContact CH2-CD2 4.43Å; W114-L254 HydrophobicContact CZ3-CD2 4.25Å; W128-L254 HydrophobicContact CB-CD1 3.62Å; W128-L254 HydrophobicContact CB-CG 4.35Å; W128-L254 HydrophobicContact CG-CD1 3.97Å; F130-L254 WeakPolarHBondContact O-CA 3.42Å; L131-L254 HydrophobicContact CD1-CD1 3.84Å; L254-G256 PolarHBondContact O-N 3.4Å; L254-H257 PolarHBondContact N-O 2.94Å; L254-H257 PolarHBondContact O-N 2.92Å; L254-Q259 HydrophobicContact CB-CB 4.49Å; L254-Q259 HydrophobicContact CB-CG 3.98Å; L254-Q259 HydrophobicContact CD2-CG 4.46Å; L254-L340 HydrophobicContact CD1-CD1 4.44Å; L254-L340 HydrophobicContact CD2-CD1 3.84Å; L254-L346 HydrophobicContact CD1-CD1 4.14Å; L254-L346 HydrophobicContact CD2-CD1 3.86Å; L254-L346 HydrophobicContact CD2-CD2 4.35Å; L254-L346 HydrophobicContact CD2-CG 3.79Å
255	D	95.3	Very high	96.2	Very high	40 Å²	40	50 Å²	50	21%	0.214	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	42	179.3	-57.7	-32.5	0	0	0	113.3	K129 F130 H257 R345	K129-D255 WeakPolarHBondContact CA-OD1 3.38Å; K129-D255 PolarHBondContact N-OD1 3.09Å; F130-D255 PolarHBondContact N-OD1 3.41Å; F130-D255 PolarHBondContact O-N 3.27Å; D255-H257 VanDerWaalsContact C-N 3.29Å; D255-H257 PolarHBondContact O-CD2 2.86Å; D255-H257 VanDerWaalsContact O-CD2 3.29Å; D255-H257 PolarHBondContact O-N 3.42Å; D255-R345 IonicContact OD2-CZ 2.74Å; D255-R345 IonicContact OD2-NH2 3.63Å; D255-R345 PolarHBondContact OD2-NH2 3.19Å
256	G	94.2	Very high	96.3	Very high	62 Å²	62	48 Å²	48	64%	0.639	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	-15.1	-178.5	0	0	0	0	0	115.2	L254	L254-G256 PolarHBondContact O-N 3.4Å
257	H	95.4	Very high	96.3	Very high	61 Å²	61	48.9 Å²	48.9	28%	0.282	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.2	-178.3	-60.5	-84.8	0	0	0	112.4	W114 L254 D255 Q259	W114-H257 AromaticContact CD1-CE1 3.62Å; W114-H257 AromaticContact CD1-ND1 3.88Å; W114-H257 AromaticContact CD1-NE2 3.82Å; W114-H257 HydrophobicContact CD2-CB 3.91Å; W114-H257 AromaticContact CD2-CD2 3.61Å; W114-H257 AromaticContact CD2-CG 3.52Å; W114-H257 AromaticContact CD2-ND1 3.9Å; W114-H257 AromaticContact CE2-CD2 3.32Å; W114-H257 AromaticContact CE2-CG 3.76Å; W114-H257 AromaticContact CE2-NE2 3.54Å; W114-H257 HydrophobicContact CE3-CB 3.6Å; W114-H257 AromaticContact CE3-CD2 4Å; W114-H257 AromaticContact CE3-CG 3.75Å; W114-H257 HydrophobicContact CG-CB 4.43Å; W114-H257 AromaticContact CG-CE1 3.9Å; W114-H257 AromaticContact CG-CG 3.83Å; W114-H257 AromaticContact CG-ND1 3.68Å; W114-H257 HydrophobicContact CH2-CB 4.37Å; W114-H257 AromaticContact CH2-CD2 3.76Å; W114-H257 AromaticContact CZ2-CD2 3.41Å; W114-H257 VanDerWaalsContact CZ2-CD2 3.41Å; W114-H257 WeakPolarHBondContact CZ2-CD2 3.43Å; W114-H257 AromaticContact CZ2-NE2 3.89Å; W114-H257 HydrophobicContact CZ3-CB 3.83Å; W114-H257 AromaticContact NE1-CD2 3.76Å; W114-H257 AromaticContact NE1-CE1 3.75Å; W114-H257 AromaticContact NE1-NE2 3.45Å; W114-H257 PolarHBondContact NE1-NE2 2.99Å; L254-H257 PolarHBondContact N-O 2.94Å; L254-H257 PolarHBondContact O-N 2.92Å; D255-H257 VanDerWaalsContact C-N 3.29Å; D255-H257 PolarHBondContact O-CD2 2.86Å; D255-H257 VanDerWaalsContact O-CD2 3.29Å; D255-H257 PolarHBondContact O-N 3.42Å; H257-Q259 PolarHBondContact O-N 3.19Å
258	K	95.7	Very high	96.4	Very high	128 Å²	128	48.8 Å²	48.8	56%	0.557	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	116.9	172.3	-172.2	175.6	-177.9	174.3	0	110.1	Y251 C252 I253	Y251-K258 HydrophobicContact CD1-CD 4.31Å; Y251-K258 HydrophobicContact CD1-CG 3.96Å; Y251-K258 HydrophobicContact CG-CD 4.35Å; Y251-K258 HydrophobicContact CG-CG 4.18Å; C252-K258 CarbonylContact O-C 3.53Å; C252-K258 WeakPolarHBondContact O-CA 3.27Å; I253-K258 HydrophobicContact CD1-CB 4.05Å; I253-K258 HydrophobicContact CD1-CG 4.28Å
259	Q	95.1	Very high	96.5	Very high	20 Å²	20	44.5 Å²	44.5	9%	0.093	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.4	-177.1	-67.3	-62.4	-63	0	0	111.1	W114 Y251 C252 L254 H257 L340	W114-Q259 HydrophobicContact CE3-CG 4.33Å; W114-Q259 HydrophobicContact CZ3-CG 4.1Å; Y251-Q259 CarbonylContact C-O 3.38Å; Y251-Q259 WeakPolarHBondContact CA-O 3.43Å; C252-Q259 PolarHBondContact N-O 3.07Å; C252-Q259 PolarHBondContact O-N 2.86Å; L254-Q259 HydrophobicContact CB-CB 4.49Å; L254-Q259 HydrophobicContact CB-CG 3.98Å; L254-Q259 HydrophobicContact CD2-CG 4.46Å; H257-Q259 PolarHBondContact O-N 3.19Å; Q259-L340 HydrophobicContact CB-CD2 4.46Å
260	R	96	Very high	96.5	Very high	79 Å²	79	42.3 Å²	42.3	30%	0.298	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	136.5	178	-177.1	178.4	-82.5	170.3	-0.2	110.5	G250 Y251 N341 E660	G250-R260 WeakPolarHBondContact O-CA 3.49Å; Y251-R260 HydrophobicContact CD1-CB 4.13Å; Y251-R260 HydrophobicContact CE1-CB 3.97Å; Y251-R260 HydrophobicContact CE1-CG 4.36Å; Y251-R260 PolarHBondContact OH-NH2 3.49Å; R260-N341 HydrophobicContact CB-CB 3.89Å; R260-N341 HydrophobicContact CG-CB 3.98Å; R260-N341 WeakPolarHBondContact O-CB 3.41Å; R260-N341 PolarHBondContact O-N 2.84Å; R260-E660 IonicContact NH1-OE2 3.28Å
261	I	97.5	Very high	96.5	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-85.5	135.5	171.8	-59.1	174	0	0	0	109.2	H133 G250 C252 F264 L324 I338 L340	H133-I261 HydrophobicContact CB-CD1 4.3Å; G250-I261 PolarHBondContact O-N 3Å; C252-I261 HydrophobicContact CB-CD1 4.12Å; C252-I261 HydrophobicContact CB-CG1 4.24Å; I261-F264 HydrophobicContact CB-CB 4.32Å; I261-F264 HydrophobicContact CG2-CB 3.82Å; I261-L324 HydrophobicContact CD1-CD2 3.59Å; I261-L324 HydrophobicContact CG1-CD2 3.77Å; I261-I338 HydrophobicContact CG2-CG2 3.39Å; I261-L340 HydrophobicContact CG1-CD2 4.42Å
262	G	94.3	Very high	96.6	Very high	41 Å²	41	41.1 Å²	41.1	42%	0.423	23%	0.226	S	C	.	.	S	Bend	trans	-71	-48.4	-176.9	0	0	0	0	0	113.3	M339	G262-M339 PolarHBondContact N-O 3.31Å
263	N	94.7	Very high	96.4	Very high	55 Å²	55	44 Å²	44	29%	0.294	24%	0.236	S	C	.	.			trans	-140.7	59.2	-170.7	62.3	-49	0	0	0	112.4	R265 Y337 I338 M339	N263-R265 PolarHBondContact O-N 2.97Å; N263-Y337 PolarHBondContact ND2-O 3.45Å; N263-I338 WeakPolarHBondContact O-CG1 3.26Å; N263-M339 PolarHBondContact OD1-N 3.39Å
264	F	97.7	Very high	96.2	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.026	22%	0.222	C	C	.	.			trans	-68.2	-15.9	-178.8	65.4	-89.4	0	0	0	114.5	P136 L137 I245 Q246 Y249 I261	P136-F264 CarbonylContact C-O 3.57Å; P136-F264 WeakPolarHBondContact CA-O 3.36Å; L137-F264 HydrophobicContact CB-CD2 4Å; L137-F264 HydrophobicContact CB-CE2 4.35Å; L137-F264 HydrophobicContact CD2-CE2 4.29Å; L137-F264 PolarHBondContact N-O 3.01Å; I245-F264 HydrophobicContact CG2-CE2 3.79Å; I245-F264 HydrophobicContact CG2-CZ 4.23Å; Q246-F264 VanDerWaalsContact OE1-CE1 3.24Å; Y249-F264 VanDerWaalsContact CB-CD2 3.41Å; Y249-F264 HydrophobicContact CG-CD2 4.48Å; Y249-F264 WeakPolarHBondContact O-CB 3.34Å; Y249-F264 WeakPolarHBondContact O-CG 3.38Å; I261-F264 HydrophobicContact CB-CB 4.32Å; I261-F264 HydrophobicContact CG2-CB 3.82Å
265	R	97.9	Very high	96	Very high	101 Å²	101	45 Å²	45	38%	0.381	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-85	124.8	175.1	-61	-173.6	176.1	75	-0.4	109.6	L137 N263	L137-R265 HydrophobicContact CB-CG 4.36Å; L137-R265 HydrophobicContact CD2-CG 4Å; L137-R265 WeakPolarHBondContact O-CA 3.39Å; N263-R265 PolarHBondContact O-N 2.97Å
266	I	97.4	Very high	95.8	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.036	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-64.7	138.2	171.9	-74.9	173.8	0	0	0	109.3	P136 L137 F138 I288 V293 W327	P136-I266 HydrophobicContact CB-CD1 3.61Å; P136-I266 HydrophobicContact CB-CG1 3.77Å; P136-I266 HydrophobicContact CG-CD1 3.87Å; L137-I266 PolarHBondContact O-N 3.37Å; F138-I266 HydrophobicContact CD1-CD1 3.63Å; F138-I266 HydrophobicContact CE1-CD1 3.46Å; F138-I266 VanDerWaalsContact CE1-CD1 3.46Å; F138-I266 HydrophobicContact CG-CD1 4.27Å; F138-I266 HydrophobicContact CZ-CD1 3.98Å; I266-I288 HydrophobicContact CD1-CG2 4.23Å; I266-I288 HydrophobicContact CG2-CB 3.78Å; I266-I288 HydrophobicContact CG2-CG1 4.03Å; I266-I288 HydrophobicContact CG2-CG2 4.36Å; I266-V293 HydrophobicContact CD1-CG2 4.02Å; I266-W327 HydrophobicContact CG1-CH2 3.86Å; I266-W327 HydrophobicContact CG1-CZ2 4.41Å; I266-W327 HydrophobicContact CG1-CZ3 3.91Å; I266-W327 HydrophobicContact CG2-CZ2 4.48Å
267	E	95.3	Very high	95.7	Very high	62 Å²	62	48 Å²	48	29%	0.29	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-58.5	127.9	176.4	-71.2	175.8	-154	0	0	109.7	K336	E267-K336 IonicContact OE1-NZ 3.08Å; E267-K336 PolarHBondContact OE1-NZ 3.12Å; E267-K336 IonicContact OE2-NZ 3.52Å; E267-K336 PolarHBondContact OE2-NZ 2.71Å; E267-K336 VanDerWaalsContact OE2-NZ 3.17Å
268	P	97	Very high	95.7	Very high	86 Å²	86	45.4 Å²	45.4	56%	0.558	23%	0.232	S	C	*	.	P	Polyproline II helix	trans	-66.3	156.5	178.8	27.4	-34.3	0	0	0	111.7	A139	A139-P268 HydrophobicContact CB-CB 4Å
269	P	98.1	Very high	95.7	Very high	15 Å²	15	41.7 Å²	41.7	10%	0.097	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-58.9	155.3	170.3	27.7	-35.1	0	0	0	111.1	F170 K285 R287	F170-P269 HydrophobicContact CE2-CB 4.16Å; F170-P269 HydrophobicContact CZ-CB 3.85Å; F170-P269 HydrophobicContact CZ-CG 3.89Å; P269-K285 WeakPolarHBondContact CA-O 3.38Å; P269-K285 WeakPolarHBondContact CB-O 3.09Å; P269-R287 HydrophobicContact CB-CB 4.23Å; P269-R287 HydrophobicContact CG-CB 4.19Å
270	G	98.2	Very high	95.8	Very high	9 Å²	9	42.2 Å²	42.2	9%	0.093	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.7	-170.8	-179.4	0	0	0	0	0	112.7	K285	G270-K285 PolarHBondContact N-O 3.31Å; G270-K285 VanDerWaalsContact N-O 3.16Å; G270-K285 WeakPolarHBondContact O-CA 3.04Å; G270-K285 VanDerWaalsContact O-CB 3.31Å; G270-K285 WeakPolarHBondContact O-CB 3.34Å; G270-K285 PolarHBondContact O-N 2.68Å
271	L	98.3	Very high	95.9	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.037	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	137.5	177.7	-54.9	-178.3	0	0	0	111.3	F170 Y171 F185 F189 R273 L284 K285	F170-L271 HydrophobicContact CB-CD1 4.27Å; F170-L271 HydrophobicContact CB-CD2 4.35Å; F170-L271 HydrophobicContact CB-CG 3.85Å; Y171-L271 HydrophobicContact CD2-CD1 4.24Å; F185-L271 HydrophobicContact CE1-CD1 3.96Å; F185-L271 HydrophobicContact CE2-CB 4.33Å; F185-L271 HydrophobicContact CZ-CB 3.95Å; F185-L271 HydrophobicContact CZ-CD1 3.67Å; F185-L271 HydrophobicContact CZ-CG 4.47Å; F189-L271 HydrophobicContact CD2-CD1 3.73Å; F189-L271 HydrophobicContact CD2-CD2 3.79Å; F189-L271 HydrophobicContact CD2-CG 4.42Å; F189-L271 HydrophobicContact CE2-CD1 4.32Å; F189-L271 HydrophobicContact CE2-CD2 4.42Å; F189-L271 HydrophobicContact CG-CD1 4.37Å; L271-R273 PolarHBondContact O-N 3.13Å; L271-L284 HydrophobicContact CD2-CD1 4.37Å; L271-K285 VanDerWaalsContact C-CE 3.47Å; L271-K285 WeakPolarHBondContact O-CE 3.39Å; L271-K285 PolarHBondContact O-NZ 3.12Å
272	F	97.7	Very high	95.9	Very high	18 Å²	18	38.5 Å²	38.5	8%	0.079	21%	0.209	C	C	.	.			trans	-70.3	115.5	178.6	-177.2	-110.8	0	0	0	110.8	G274 H278 K280 M281 G282 M283 K285 I331	F272-G274 PolarHBondContact O-N 3.33Å; F272-H278 AromaticContact CE1-CE1 3.68Å; F272-H278 AromaticContact CE1-CG 3.93Å; F272-H278 AromaticContact CE1-ND1 3.69Å; F272-H278 AromaticContact CE1-NE2 3.85Å; F272-K280 HydrophobicContact CD1-CB 4.19Å; F272-K280 WeakPolarHBondContact CD1-O 3.19Å; F272-K280 HydrophobicContact CE1-CB 4.33Å; F272-M281 CarbonylContact O-C 3.45Å; F272-M281 VanDerWaalsContact O-CA 3.32Å; F272-M281 WeakPolarHBondContact O-CA 3.41Å; F272-G282 PolarHBondContact O-N 3.5Å; F272-M283 WeakPolarHBondContact CB-O 3.24Å; F272-M283 PolarHBondContact N-O 3.44Å; F272-K285 HydrophobicContact CB-CD 4.46Å; F272-K285 HydrophobicContact CB-CG 4.17Å; F272-K285 HydrophobicContact CD2-CD 4.26Å; F272-I331 HydrophobicContact CB-CD1 4.16Å; F272-I331 HydrophobicContact CB-CG1 4.18Å; F272-I331 HydrophobicContact CB-CG2 4.43Å; F272-I331 HydrophobicContact CD1-CG2 3.88Å; F272-I331 HydrophobicContact CD2-CG1 4.26Å; F272-I331 HydrophobicContact CD2-CG2 4.14Å; F272-I331 HydrophobicContact CE1-CG2 4.12Å; F272-I331 HydrophobicContact CE2-CG2 4.38Å; F272-I331 HydrophobicContact CG-CG1 4.26Å; F272-I331 HydrophobicContact CG-CG2 3.89Å; F272-I331 HydrophobicContact CZ-CG2 4.36Å
273	R	95.5	Very high	96.1	Very high	63 Å²	63	38 Å²	38	24%	0.238	20%	0.196	C	C	.	.			trans	-100.3	67.6	179	-68.7	170.9	71.3	-150.2	0.9	109.8	D44 M174 H177 Y179 L271	D44-R273 IonicContact OD1-CZ 3.16Å; D44-R273 VanDerWaalsContact OD1-CZ 3.27Å; D44-R273 IonicContact OD1-NH1 3.88Å; D44-R273 PolarHBondContact OD1-NH1 2.83Å; D44-R273 IonicContact OD1-NH2 2.86Å; D44-R273 PolarHBondContact OD1-NH2 3.36Å; D44-R273 IonicContact OD2-CZ 3.73Å; D44-R273 VanDerWaalsContact OD2-CZ 3.25Å; D44-R273 IonicContact OD2-NH1 3.8Å; D44-R273 PolarHBondContact OD2-NH1 2.79Å; D44-R273 IonicContact OD2-NH2 2.72Å; D44-R273 PolarHBondContact OD2-NH2 2.94Å; M174-R273 HydrophobicContact CE-CG 3.87Å; M174-R273 HydrophobicContact SD-CG 4.45Å; H177-R273 PolarHBondContact CD2-NH2 3.46Å; H177-R273 PolarHBondContact NE2-NH2 3.21Å; Y179-R273 HydrophobicContact CD2-CB 4.45Å; Y179-R273 HydrophobicContact CD2-CG 4.02Å; Y179-R273 HydrophobicContact CE1-CB 4.44Å; Y179-R273 HydrophobicContact CE2-CB 3.82Å; Y179-R273 HydrophobicContact CE2-CG 3.88Å; L271-R273 PolarHBondContact O-N 3.13Å
274	G	93.1	Very high	96.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.01	19%	0.187	C	C	.	.			trans	-62.6	132.8	176.4	0	0	0	0	0	111.1	Y179 F272	Y179-G274 PolarHBondContact OH-O 3.49Å; F272-G274 PolarHBondContact O-N 3.33Å
275	R	91.5	Very high	96.3	Very high	81 Å²	81	38.2 Å²	38.2	31%	0.306	20%	0.195	S	C	.	.	S	Bend	trans	-69.5	149.2	-177.6	-60.1	-177.8	-174.8	-177.8	-4.7	111.2	S40 D443	S40-R275 PolarHBondContact O-NH2 2.79Å; S40-R275 PolarHBondContact OG-NH2 2.59Å; R275-D443 WeakPolarHBondContact CD-OD1 3.47Å; R275-D443 IonicContact CZ-OD1 3.9Å; R275-D443 IonicContact NE-OD1 2.62Å; R275-D443 IonicContact NH1-OD1 3.01Å; R275-D443 PolarHBondContact NH1-OD1 3Å; R275-D443 IonicContact NH1-OD2 3.76Å; R275-D443 PolarHBondContact NH1-OD2 3.03Å
276	G	91.2	Very high	96.3	Very high	27 Å²	27	39.9 Å²	39.9	28%	0.278	21%	0.205	S	C	.	.	S	Bend	trans	67.8	-139.1	-177.6	0	0	0	0	0	112.9	K182 H278 M281	K182-G276 PolarHBondContact NZ-O 3.01Å; G276-H278 VanDerWaalsContact C-N 3.34Å; G276-H278 PolarHBondContact O-N 3.39Å; G276-M281 VanDerWaalsContact O-CE 3.24Å; G276-M281 WeakPolarHBondContact O-CE 3.48Å
277	N	92	Very high	96.3	Very high	137 Å²	137	42.7 Å²	42.7	73%	0.733	22%	0.215	S	C	*	.	S	Bend	trans	-96.5	50.7	176.1	-68.7	-18.9	0	0	0	111.1
278	H	95.1	Very high	96.4	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.032	21%	0.206	C	C	.	.			trans	-65.5	123.8	-178	-161.3	-60.1	0	0	0	112	F272 G276 K280 M281 D407 A409	F272-H278 AromaticContact CE1-CE1 3.68Å; F272-H278 AromaticContact CE1-CG 3.93Å; F272-H278 AromaticContact CE1-ND1 3.69Å; F272-H278 AromaticContact CE1-NE2 3.85Å; G276-H278 VanDerWaalsContact C-N 3.34Å; G276-H278 PolarHBondContact O-N 3.39Å; H278-K280 VanDerWaalsContact C-N 3.26Å; H278-K280 PolarHBondContact ND1-N 2.95Å; H278-K280 PolarHBondContact O-N 3.24Å; H278-M281 HydrophobicContact CB-CE 4.25Å; H278-M281 WeakPolarHBondContact O-CB 3.31Å; H278-M281 WeakPolarHBondContact O-CE 3.32Å; H278-M281 VanDerWaalsContact O-CG 3.31Å; H278-M281 WeakPolarHBondContact O-CG 3.44Å; H278-M281 PolarHBondContact O-N 3.07Å; H278-D407 PolarHBondContact CE1-O 3.12Å; H278-D407 VanDerWaalsContact CE1-O 3.28Å; H278-A409 HydrophobicContact CB-CB 4.23Å
279	P	96.2	Very high	96.5	Very high	50 Å²	50	39.8 Å²	39.8	33%	0.325	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.5	-172.8	25.5	-35.4	0	0	0	113.4	V184 N188 D407 E408	V184-P279 VanDerWaalsContact CG1-O 3.24Å; V184-P279 WeakPolarHBondContact CG1-O 3.24Å; N188-P279 PolarHBondContact ND2-O 2.92Å; P279-D407 VanDerWaalsContact CG-C 3.41Å; P279-D407 WeakPolarHBondContact CG-O 3.39Å; P279-E408 VanDerWaalsContact CD-C 3.44Å; P279-E408 WeakPolarHBondContact CD-O 3.38Å
280	K	97.1	Very high	96.5	Very high	31 Å²	31	39.3 Å²	39.3	14%	0.135	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	2.2	174.3	-59.3	-173.8	178.9	173	0	116.1	F272 H278 G282 M283 I331 D407	F272-K280 HydrophobicContact CD1-CB 4.19Å; F272-K280 WeakPolarHBondContact CD1-O 3.19Å; F272-K280 HydrophobicContact CE1-CB 4.33Å; H278-K280 VanDerWaalsContact C-N 3.26Å; H278-K280 PolarHBondContact ND1-N 2.95Å; H278-K280 PolarHBondContact O-N 3.24Å; K280-G282 PolarHBondContact O-N 3.49Å; K280-M283 HydrophobicContact CB-CG 4.33Å; K280-M283 HydrophobicContact CB-SD 3.66Å; K280-M283 HydrophobicContact CD-SD 4.16Å; K280-M283 HydrophobicContact CG-SD 3.75Å; K280-M283 VanDerWaalsContact O-CB 3.32Å; K280-M283 WeakPolarHBondContact O-CB 3.49Å; K280-M283 VanDerWaalsContact O-CG 3.3Å; K280-M283 WeakPolarHBondContact O-CG 3.43Å; K280-M283 PolarHBondContact O-N 3.12Å; K280-I331 HydrophobicContact CB-CG2 4Å; K280-I331 HydrophobicContact CD-CG2 3.74Å; K280-I331 WeakPolarHBondContact CD-O 3.36Å; K280-I331 PolarHBondContact NZ-O 3.31Å; K280-D407 VanDerWaalsContact CE-OD2 3.24Å; K280-D407 WeakPolarHBondContact CE-OD2 3.39Å; K280-D407 IonicContact NZ-OD2 3.9Å; K280-D407 PolarHBondContact NZ-OD2 3.27Å
281	M	97.2	Very high	96.5	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.02	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	142.1	179.5	73	176	75.5	0	0	110.7	Y179 K182 V184 F185 N188 F272 G276 H278 M283	Y179-M281 HydrophobicContact CD1-SD 4.07Å; Y179-M281 HydrophobicContact CE1-SD 4.23Å; K182-M281 HydrophobicContact CB-SD 4.24Å; K182-M281 HydrophobicContact CD-CE 4.23Å; K182-M281 HydrophobicContact CD-SD 3.51Å; K182-M281 VanDerWaalsContact CD-SD 3.51Å; V184-M281 HydrophobicContact CB-CG 4.39Å; V184-M281 HydrophobicContact CG1-CG 4.05Å; F185-M281 WeakPolarHBondContact CA-O 3.39Å; F185-M281 HydrophobicContact CB-CG 3.92Å; F185-M281 HydrophobicContact CB-SD 4.07Å; F185-M281 HydrophobicContact CD2-CB 4.14Å; F185-M281 HydrophobicContact CD2-CG 4.14Å; N188-M281 VanDerWaalsContact CB-O 3.24Å; N188-M281 WeakPolarHBondContact CB-O 3Å; N188-M281 PolarHBondContact ND2-O 2.91Å; F272-M281 CarbonylContact O-C 3.45Å; F272-M281 VanDerWaalsContact O-CA 3.32Å; F272-M281 WeakPolarHBondContact O-CA 3.41Å; G276-M281 VanDerWaalsContact O-CE 3.24Å; G276-M281 WeakPolarHBondContact O-CE 3.48Å; H278-M281 HydrophobicContact CB-CE 4.25Å; H278-M281 WeakPolarHBondContact O-CB 3.31Å; H278-M281 WeakPolarHBondContact O-CE 3.32Å; H278-M281 VanDerWaalsContact O-CG 3.31Å; H278-M281 WeakPolarHBondContact O-CG 3.44Å; H278-M281 PolarHBondContact O-N 3.07Å; M281-M283 VanDerWaalsContact C-N 3.29Å; M281-M283 PolarHBondContact O-N 3.35Å
282	G	97.8	Very high	96.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-14.9	-176.7	0	0	0	0	0	114.9	F185 F189 F272 K280	F185-G282 VanDerWaalsContact CE2-CA 3.44Å; F189-G282 VanDerWaalsContact CA-O 3.28Å; F189-G282 WeakPolarHBondContact CA-O 3.48Å; F189-G282 PolarHBondContact N-O 2.83Å; F272-G282 PolarHBondContact O-N 3.5Å; K280-G282 PolarHBondContact O-N 3.49Å
283	M	98.4	Very high	96.5	Very high	31 Å²	31	44 Å²	44	15%	0.153	21%	0.214	C	C	.	.			trans	-61.4	147.9	174.1	-71.6	-173.4	60.3	0	0	111.9	N188 R191 D192 F272 K280 M281 K285 I331	N188-M283 HydrophobicContact CB-CG 3.78Å; R191-M283 PolarHBondContact NH2-SD 2.68Å; R191-M283 VanDerWaalsContact NH2-SD 3.39Å; D192-M283 WeakPolarHBondContact OD2-CA 3.39Å; D192-M283 WeakPolarHBondContact OD2-CB 3.45Å; F272-M283 WeakPolarHBondContact CB-O 3.24Å; F272-M283 PolarHBondContact N-O 3.44Å; K280-M283 HydrophobicContact CB-CG 4.33Å; K280-M283 HydrophobicContact CB-SD 3.66Å; K280-M283 HydrophobicContact CD-SD 4.16Å; K280-M283 HydrophobicContact CG-SD 3.75Å; K280-M283 VanDerWaalsContact O-CB 3.32Å; K280-M283 WeakPolarHBondContact O-CB 3.49Å; K280-M283 VanDerWaalsContact O-CG 3.3Å; K280-M283 WeakPolarHBondContact O-CG 3.43Å; K280-M283 PolarHBondContact O-N 3.12Å; M281-M283 VanDerWaalsContact C-N 3.29Å; M281-M283 PolarHBondContact O-N 3.35Å; M283-K285 PolarHBondContact O-N 2.67Å; M283-I331 HydrophobicContact CB-CD1 3.7Å
284	L	98.4	Very high	96.7	Very high	18 Å²	18	41.2 Å²	41.2	9%	0.094	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	117.3	-177.7	179	62.8	0	0	0	111.3	V167 F170 D192 T196 L271 K286 N330 I331	V167-L284 HydrophobicContact CG1-CD1 4.27Å; V167-L284 HydrophobicContact CG1-CD2 4.49Å; V167-L284 HydrophobicContact CG2-CD1 3.9Å; V167-L284 HydrophobicContact CG2-CD2 3.74Å; V167-L284 HydrophobicContact CG2-CG 4.49Å; F170-L284 HydrophobicContact CD2-CD1 4.04Å; F170-L284 HydrophobicContact CE2-CD1 3.96Å; D192-L284 HydrophobicContact CB-CB 3.93Å; D192-L284 PolarHBondContact OD2-N 3.13Å; D192-L284 VanDerWaalsContact OD2-N 3.14Å; T196-L284 HydrophobicContact CG2-CD2 3.76Å; L271-L284 HydrophobicContact CD2-CD1 4.37Å; L284-K286 PolarHBondContact O-N 3.01Å; L284-N330 PolarHBondContact O-ND2 2.9Å; L284-I331 WeakPolarHBondContact O-CD1 3.24Å
285	K	98.2	Very high	97	Very high	48 Å²	48	41.2 Å²	41.2	21%	0.209	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	114.3	162.7	-66.7	177.2	-77.3	174.1	0	108.1	P269 G270 L271 F272 M283 I331	P269-K285 WeakPolarHBondContact CA-O 3.38Å; P269-K285 WeakPolarHBondContact CB-O 3.09Å; G270-K285 PolarHBondContact N-O 3.31Å; G270-K285 VanDerWaalsContact N-O 3.16Å; G270-K285 WeakPolarHBondContact O-CA 3.04Å; G270-K285 VanDerWaalsContact O-CB 3.31Å; G270-K285 WeakPolarHBondContact O-CB 3.34Å; G270-K285 PolarHBondContact O-N 2.68Å; L271-K285 VanDerWaalsContact C-CE 3.47Å; L271-K285 WeakPolarHBondContact O-CE 3.39Å; L271-K285 PolarHBondContact O-NZ 3.12Å; F272-K285 HydrophobicContact CB-CD 4.46Å; F272-K285 HydrophobicContact CB-CG 4.17Å; F272-K285 HydrophobicContact CD2-CD 4.26Å; M283-K285 PolarHBondContact O-N 2.67Å; K285-I331 HydrophobicContact CG-CD1 4.16Å; K285-I331 HydrophobicContact CG-CG1 3.79Å
286	K	97.2	Very high	97.3	Very high	135 Å²	135	37.3 Å²	37.3	59%	0.587	19%	0.189	S	C	*	.	P	Polyproline II helix	trans	-72.7	157.4	-177.1	-67.1	-178.9	179.8	-176.4	0	111.1	L284 I288 N330	L284-K286 PolarHBondContact O-N 3.01Å; K286-I288 PolarHBondContact O-N 2.83Å; K286-N330 HydrophobicContact CD-CB 4.33Å; K286-N330 PolarHBondContact N-OD1 2.91Å
287	R	97.8	Very high	97.6	Very high	66 Å²	66	36 Å²	36	25%	0.249	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-68.4	128.2	168.9	-178	173.8	-67.3	-86.2	2	108.7	A139 P140 E166 P269 M289	A139-R287 PolarHBondContact O-NH1 2.96Å; A139-R287 VanDerWaalsContact O-NH1 3.09Å; P140-R287 PolarHBondContact O-NH1 3.17Å; P140-R287 PolarHBondContact O-NH2 3.14Å; P140-R287 VanDerWaalsContact O-NH2 3.16Å; E166-R287 IonicContact OE1-CZ 3.8Å; E166-R287 IonicContact OE1-NE 3.64Å; E166-R287 IonicContact OE1-NH2 2.74Å; E166-R287 PolarHBondContact OE1-NH2 2.86Å; P269-R287 HydrophobicContact CB-CB 4.23Å; P269-R287 HydrophobicContact CG-CB 4.19Å; R287-M289 HydrophobicContact CG-SD 4.07Å
288	I	98.2	Very high	97.9	Very high	17 Å²	17	29.7 Å²	29.7	9%	0.087	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-81.9	125.6	174.3	-55.6	-57.3	0	0	0	108.2	F138 I266 K286 D292 V293 W327	F138-I288 WeakPolarHBondContact CD1-O 3.18Å; I266-I288 HydrophobicContact CD1-CG2 4.23Å; I266-I288 HydrophobicContact CG2-CB 3.78Å; I266-I288 HydrophobicContact CG2-CG1 4.03Å; I266-I288 HydrophobicContact CG2-CG2 4.36Å; K286-I288 PolarHBondContact O-N 2.83Å; I288-D292 HydrophobicContact CG2-CB 3.91Å; I288-V293 HydrophobicContact CG2-CG2 3.81Å; I288-W327 VanDerWaalsContact CD1-CD1 3.46Å; I288-W327 HydrophobicContact CD1-CG 4.32Å; I288-W327 HydrophobicContact CG1-CG 4.36Å; I288-W327 HydrophobicContact CG2-CB 4.21Å; I288-W327 HydrophobicContact CG2-CD2 4.26Å; I288-W327 HydrophobicContact CG2-CG 3.93Å
289	M	98.1	Very high	98	Very high	71 Å²	71	37.8 Å²	37.8	35%	0.35	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-98.7	161.5	177.9	-58.8	-57.9	-67.6	0	0	110.2	R287 E291 D292	R287-M289 HydrophobicContact CG-SD 4.07Å; M289-E291 PolarHBondContact O-N 2.84Å; M289-E291 VanDerWaalsContact O-N 3.16Å; M289-D292 PolarHBondContact N-OD2 2.77Å; M289-D292 WeakPolarHBondContact O-CB 3.3Å; M289-D292 PolarHBondContact O-N 3.49Å
290	P	98.5	Very high	98.1	Very high	4 Å²	4	41 Å²	41	3%	0.026	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-53.8	-33.1	174.3	-25.7	34.9	0	0	0	113.7	F138 D292 V293 P307 H310 K311 W312 K313	F138-P290 HydrophobicContact CE1-CG 3.96Å; F138-P290 HydrophobicContact CE2-CB 4.48Å; F138-P290 HydrophobicContact CE2-CG 3.93Å; F138-P290 HydrophobicContact CZ-CB 3.9Å; F138-P290 HydrophobicContact CZ-CG 3.54Å; P290-D292 PolarHBondContact O-N 2.71Å; P290-D292 VanDerWaalsContact O-N 3.16Å; P290-V293 PolarHBondContact O-N 3.11Å; P290-P307 HydrophobicContact CG-CG 3.9Å; P290-H310 HydrophobicContact CB-CB 3.74Å; P290-H310 HydrophobicContact CG-CB 3.64Å; P290-K311 CarbonylContact C-O 3.18Å; P290-W312 HydrophobicContact CB-CE3 4.1Å; P290-W312 HydrophobicContact CB-CZ3 4.13Å; P290-W312 WeakPolarHBondContact O-CA 3.44Å; P290-K313 PolarHBondContact O-N 2.8Å
291	E	98.5	Very high	98.1	Very high	68 Å²	68	40.1 Å²	40.1	32%	0.318	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-66.6	-11.9	177.3	-67.2	69.9	-152.7	0	0	113.8	M289 H310 K311 K313	M289-E291 PolarHBondContact O-N 2.84Å; M289-E291 VanDerWaalsContact O-N 3.16Å; E291-H310 VanDerWaalsContact CD-ND1 3.32Å; E291-H310 WeakPolarHBondContact OE1-CA 3.21Å; E291-H310 WeakPolarHBondContact OE1-CB 3.33Å; E291-H310 IonicContact OE1-CG 2.89Å; E291-H310 IonicContact OE1-ND1 3.74Å; E291-H310 PolarHBondContact OE1-ND1 2.65Å; E291-H310 IonicContact OE2-CE1 3.34Å; E291-H310 IonicContact OE2-ND1 2.66Å; E291-H310 PolarHBondContact OE2-ND1 2.79Å; E291-K311 WeakPolarHBondContact CA-O 3.38Å; E291-K311 HydrophobicContact CG-CG 4.3Å; E291-K311 PolarHBondContact N-O 3.48Å; E291-K311 PolarHBondContact OE1-N 2.88Å; E291-K311 VanDerWaalsContact OE1-N 3.08Å; E291-K313 WeakPolarHBondContact O-CB 3.47Å; E291-K313 WeakPolarHBondContact O-CG 3.45Å
292	D	98.3	Very high	98.1	Very high	64 Å²	64	46.8 Å²	46.8	34%	0.342	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-94.6	-17	174.8	-59.2	-50.9	0	0	0	112.7	I288 M289 P290 W327	I288-D292 HydrophobicContact CG2-CB 3.91Å; M289-D292 PolarHBondContact N-OD2 2.77Å; M289-D292 WeakPolarHBondContact O-CB 3.3Å; M289-D292 PolarHBondContact O-N 3.49Å; P290-D292 PolarHBondContact O-N 2.71Å; P290-D292 VanDerWaalsContact O-N 3.16Å; D292-W327 WeakPolarHBondContact O-CB 3.3Å
293	V	98.7	Very high	98.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-94.9	129	-169	178.2	0	0	0	0	111.7	P136 F138 I266 I288 P290 I295 W312 K313 A325	P136-V293 HydrophobicContact CG-CG1 4.18Å; F138-V293 HydrophobicContact CE1-CG2 4.21Å; F138-V293 HydrophobicContact CZ-CG2 4.15Å; I266-V293 HydrophobicContact CD1-CG2 4.02Å; I288-V293 HydrophobicContact CG2-CG2 3.81Å; P290-V293 PolarHBondContact O-N 3.11Å; V293-I295 HydrophobicContact CG1-CD1 3.94Å; V293-W312 HydrophobicContact CB-CE3 3.94Å; V293-W312 HydrophobicContact CB-CZ3 4.05Å; V293-W312 HydrophobicContact CG1-CE3 4.07Å; V293-W312 HydrophobicContact CG1-CZ3 4.04Å; V293-K313 VanDerWaalsContact O-CB 3.23Å; V293-K313 WeakPolarHBondContact O-CB 3.32Å; V293-K313 PolarHBondContact O-N 3.44Å; V293-A325 HydrophobicContact CG1-CB 4.14Å
294	I	98.7	Very high	98.1	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.9	169.9	-56.6	177.7	0	0	0	108.5	K313 E314 R316 W323 A325 C326	I294-K313 HydrophobicContact CD1-CD 4.35Å; I294-K313 HydrophobicContact CG1-CB 4.12Å; I294-K313 HydrophobicContact CG1-CD 4Å; I294-K313 HydrophobicContact CG1-CG 4.28Å; I294-E314 CarbonylContact C-O 3.59Å; I294-E314 WeakPolarHBondContact CA-O 3.33Å; I294-E314 HydrophobicContact CB-CB 4.48Å; I294-E314 HydrophobicContact CG1-CB 4.11Å; I294-E314 HydrophobicContact CG2-CB 4.07Å; I294-E314 HydrophobicContact CG2-CG 4.49Å; I294-R316 HydrophobicContact CG2-CG 4.3Å; I294-W323 HydrophobicContact CG2-CH2 4.02Å; I294-W323 HydrophobicContact CG2-CZ3 4.23Å; I294-A325 CarbonylContact O-C 3.51Å; I294-A325 WeakPolarHBondContact O-CA 3.22Å; I294-C326 PolarHBondContact N-O 2.94Å; I294-C326 PolarHBondContact O-N 2.92Å
295	I	98.8	Very high	98	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	140.7	177	-62.6	-61.8	0	0	0	110	V293 P304 W312 E314 V315 R316 A325	V293-I295 HydrophobicContact CG1-CD1 3.94Å; I295-P304 HydrophobicContact CG2-CG 3.89Å; I295-W312 HydrophobicContact CD1-CD2 4.24Å; I295-W312 HydrophobicContact CD1-CE3 4.29Å; I295-W312 HydrophobicContact CD1-CH2 4.33Å; I295-W312 HydrophobicContact CD1-CZ2 4.27Å; I295-W312 HydrophobicContact CD1-CZ3 4.3Å; I295-W312 HydrophobicContact CG1-CB 4.5Å; I295-W312 HydrophobicContact CG1-CD2 3.7Å; I295-W312 HydrophobicContact CG1-CE3 4.13Å; I295-W312 HydrophobicContact CG1-CG 3.85Å; I295-W312 HydrophobicContact CG1-CZ2 4.39Å; I295-E314 PolarHBondContact N-O 2.93Å; I295-V315 HydrophobicContact CB-CG1 4.47Å; I295-V315 HydrophobicContact CB-CG2 4.29Å; I295-V315 HydrophobicContact CG2-CG1 4.38Å; I295-V315 WeakPolarHBondContact O-CA 3.26Å; I295-R316 PolarHBondContact O-N 2.88Å; I295-A325 HydrophobicContact CD1-CB 4.03Å
296	N	98.7	Very high	98	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	118.8	173.3	-171.9	41	0	0	0	111.4	L131 H133 R316 D318 V321 W323 L324	L131-N296 WeakPolarHBondContact CD2-O 3.44Å; H133-N296 PolarHBondContact NE2-O 2.82Å; N296-R316 WeakPolarHBondContact CA-O 3.37Å; N296-R316 HydrophobicContact CB-CG 4.24Å; N296-R316 PolarHBondContact OD1-O 3.3Å; N296-D318 PolarHBondContact ND2-O 2.87Å; N296-D318 PolarHBondContact OD1-N 2.83Å; N296-V321 VanDerWaalsContact ND2-CG2 3.3Å; N296-V321 WeakPolarHBondContact ND2-CG2 3.16Å; N296-W323 HydrophobicContact CB-CD2 4.48Å; N296-W323 HydrophobicContact CB-CE3 3.66Å; N296-W323 HydrophobicContact CB-CH2 3.79Å; N296-W323 HydrophobicContact CB-CZ3 3.29Å; N296-W323 PolarHBondContact ND2-O 2.95Å; N296-W323 VanDerWaalsContact ND2-O 3.12Å; N296-L324 PolarHBondContact N-O 2.68Å
297	C	98.5	Very high	98	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.			trans	-150.4	168.2	-176.3	59.1	0	0	0	0	109.8	L131 S301 R316 H317	L131-C297 WeakPolarHBondContact O-CA 3.44Å; L131-C297 WeakPolarHBondContact O-CB 3.37Å; C297-S301 WeakPolarHBondContact CB-OG 3.19Å; C297-R316 PolarHBondContact N-O 2.84Å; C297-R316 VanDerWaalsContact N-O 3.14Å; C297-H317 VanDerWaalsContact O-CA 3.24Å; C297-H317 WeakPolarHBondContact O-CA 3.35Å; C297-H317 WeakPolarHBondContact O-CB 3.15Å; C297-H317 PolarHBondContact O-ND1 2.82Å
298	S	98.1	Very high	98	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.028	29%	0.286	C	S	.	.			trans	-74	153	177	66.2	0	0	0	0	111.5	F130 L131 D300 S301	F130-S298 WeakPolarHBondContact CD2-OG 3.08Å; L131-S298 PolarHBondContact N-OG 3.49Å; L131-S298 PolarHBondContact O-N 3.5Å; S298-D300 WeakPolarHBondContact CB-OD1 3.31Å; S298-D300 PolarHBondContact O-N 3.34Å; S298-D300 PolarHBondContact OG-OD1 2.81Å; S298-S301 PolarHBondContact N-OG 3.05Å; S298-S301 PolarHBondContact O-N 3.24Å; S298-S301 VanDerWaalsContact O-N 3.12Å; S298-S301 PolarHBondContact O-OG 2.82Å; S298-S301 WeakPolarHBondContact OG-CB 3.4Å; S298-S301 PolarHBondContact OG-N 2.78Å
299	K	97.5	Very high	98	Very high	177 Å²	177	58.1 Å²	58.1	77%	0.77	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.5	-178.2	-69.1	-179.7	-179.2	176.1	0	112.8	H317	K299-H317 HydrophobicContact CG-CB 3.62Å; K299-H317 VanDerWaalsContact CG-CG 3.48Å
300	D	97.1	Very high	98	Very high	116 Å²	116	58.2 Å²	58.2	62%	0.62	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	3.7	-179.3	61	-20.4	0	0	0	113.5	S298	S298-D300 WeakPolarHBondContact CB-OD1 3.31Å; S298-D300 PolarHBondContact O-N 3.34Å; S298-D300 PolarHBondContact OG-OD1 2.81Å
301	S	97.3	Very high	98	Very high	14 Å²	14	65.2 Å²	65.2	10%	0.098	35%	0.352	C	S	.	.	S	Bend	trans	-89.2	163.7	175.5	69.8	0	0	0	0	113.1	L131 C297 S298 V303	L131-S301 WeakPolarHBondContact O-CB 3.44Å; L131-S301 PolarHBondContact O-OG 2.96Å; C297-S301 WeakPolarHBondContact CB-OG 3.19Å; S298-S301 PolarHBondContact N-OG 3.05Å; S298-S301 PolarHBondContact O-N 3.24Å; S298-S301 VanDerWaalsContact O-N 3.12Å; S298-S301 PolarHBondContact O-OG 2.82Å; S298-S301 WeakPolarHBondContact OG-CB 3.4Å; S298-S301 PolarHBondContact OG-N 2.78Å; S301-V303 PolarHBondContact O-N 3.4Å
302	K	97.5	Very high	98	Very high	143 Å²	143	63.3 Å²	63.3	62%	0.622	34%	0.343	S	S	*	.			trans	-74.1	105.8	166.4	-175.4	172.6	-179.3	167.7	0	110.7	E132	E132-K302 WeakPolarHBondContact OE2-CB 3.42Å; E132-K302 PolarHBondContact OE2-N 2.71Å
303	V	98	Very high	98	Very high	63 Å²	63	65.8 Å²	65.8	38%	0.382	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-56.5	129.7	174.3	-178.5	0	0	0	0	110.6	S301 A305 V315	S301-V303 PolarHBondContact O-N 3.4Å; V303-A305 PolarHBondContact O-N 3.2Å; V303-V315 HydrophobicContact CG1-CG1 3.76Å; V303-V315 HydrophobicContact CG1-CG2 4Å; V303-V315 HydrophobicContact CG2-CG1 4.29Å
304	P	97.8	Very high	97.9	Very high	8 Å²	8	69 Å²	69	5%	0.052	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-54.3	131.2	173.7	-20.8	24.7	0	0	0	112.4	H133 I295 W312	H133-P304 WeakPolarHBondContact O-CG 3.41Å; I295-P304 HydrophobicContact CG2-CG 3.89Å; P304-W312 HydrophobicContact CB-CZ2 4.3Å; P304-W312 PolarHBondContact O-NE1 2.81Å
305	A	97.5	Very high	97.9	Very high	86 Å²	86	71.3 Å²	71.3	71%	0.711	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-76.2	134.1	172	0	0	0	0	0	110.4	V303	V303-A305 PolarHBondContact O-N 3.2Å
306	P	97.9	Very high	97.9	Very high	45 Å²	45	72.8 Å²	72.8	29%	0.292	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-67.3	160.6	171.5	29.7	-33.7	0	0	0	111.1	H310 W312	P306-H310 VanDerWaalsContact CG-O 3.26Å; P306-H310 WeakPolarHBondContact CG-O 3.34Å; P306-W312 VanDerWaalsContact CA-CZ2 3.42Å; P306-W312 HydrophobicContact CB-CD2 3.97Å; P306-W312 HydrophobicContact CB-CG 4.35Å; P306-W312 HydrophobicContact CB-CZ2 3.98Å
307	P	97.1	Very high	97.9	Very high	54 Å²	54	76.2 Å²	76.2	35%	0.351	40%	0.401	S	S	.	.	S	Bend	trans	-50.7	147.5	169.3	-27.1	35.8	0	0	0	112.1	F138 P290 G309 H310	F138-P307 HydrophobicContact CD2-CG 3.82Å; F138-P307 HydrophobicContact CE2-CG 3.75Å; P290-P307 HydrophobicContact CG-CG 3.9Å; P307-G309 PolarHBondContact O-N 3.06Å; P307-H310 WeakPolarHBondContact O-CB 3.36Å; P307-H310 PolarHBondContact O-N 3.17Å
308	K	97	Very high	97.8	Very high	213 Å²	213	77.9 Å²	77.9	93%	0.926	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	128.9	-176.3	-169.1	179.6	-177.7	-179.6	0	110.9
309	G	97.6	Very high	97.7	Very high	84 Å²	84	80.9 Å²	80.9	87%	0.866	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	-3.7	-179.2	0	0	0	0	0	115	P307	P307-G309 PolarHBondContact O-N 3.06Å
310	H	98.3	Very high	97.6	Very high	73 Å²	73	74 Å²	74	34%	0.338	40%	0.399	S	S	.	.			trans	-113.7	167.9	-179.2	-72.6	-85.6	0	0	0	112.9	P290 E291 P306 P307	P290-H310 HydrophobicContact CB-CB 3.74Å; P290-H310 HydrophobicContact CG-CB 3.64Å; E291-H310 VanDerWaalsContact CD-ND1 3.32Å; E291-H310 WeakPolarHBondContact OE1-CA 3.21Å; E291-H310 WeakPolarHBondContact OE1-CB 3.33Å; E291-H310 IonicContact OE1-CG 2.89Å; E291-H310 IonicContact OE1-ND1 3.74Å; E291-H310 PolarHBondContact OE1-ND1 2.65Å; E291-H310 IonicContact OE2-CE1 3.34Å; E291-H310 IonicContact OE2-ND1 2.66Å; E291-H310 PolarHBondContact OE2-ND1 2.79Å; P306-H310 VanDerWaalsContact CG-O 3.26Å; P306-H310 WeakPolarHBondContact CG-O 3.34Å; P307-H310 WeakPolarHBondContact O-CB 3.36Å; P307-H310 PolarHBondContact O-N 3.17Å
311	K	98.3	Very high	97.6	Very high	151 Å²	151	68.7 Å²	68.7	66%	0.657	37%	0.371	S	S	*	.			trans	-132.6	149.8	170.8	62.6	-177	179.9	-179.2	0	110.9	P290 E291	P290-K311 CarbonylContact C-O 3.18Å; E291-K311 WeakPolarHBondContact CA-O 3.38Å; E291-K311 HydrophobicContact CG-CG 4.3Å; E291-K311 PolarHBondContact N-O 3.48Å; E291-K311 PolarHBondContact OE1-N 2.88Å; E291-K311 VanDerWaalsContact OE1-N 3.08Å
312	W	98.6	Very high	97.5	Very high	29 Å²	29	68.7 Å²	68.7	11%	0.11	37%	0.371	C	S	.	.			trans	-65.3	151.8	169	-58.1	125.8	0	0	0	110.6	P136 F138 P290 V293 I295 P304 P306 E314 V315	P136-W312 HydrophobicContact CG-CH2 3.99Å; P136-W312 HydrophobicContact CG-CZ3 4.03Å; F138-W312 AromaticContact CE2-CH2 3.86Å; F138-W312 HydrophobicContact CE2-CH2 3.86Å; F138-W312 AromaticContact CE2-CZ3 3.83Å; F138-W312 HydrophobicContact CE2-CZ3 3.83Å; F138-W312 HydrophobicContact CZ-CH2 4.2Å; F138-W312 AromaticContact CZ-CZ3 3.68Å; F138-W312 HydrophobicContact CZ-CZ3 3.68Å; P290-W312 HydrophobicContact CB-CE3 4.1Å; P290-W312 HydrophobicContact CB-CZ3 4.13Å; P290-W312 WeakPolarHBondContact O-CA 3.44Å; V293-W312 HydrophobicContact CB-CE3 3.94Å; V293-W312 HydrophobicContact CB-CZ3 4.05Å; V293-W312 HydrophobicContact CG1-CE3 4.07Å; V293-W312 HydrophobicContact CG1-CZ3 4.04Å; I295-W312 HydrophobicContact CD1-CD2 4.24Å; I295-W312 HydrophobicContact CD1-CE3 4.29Å; I295-W312 HydrophobicContact CD1-CH2 4.33Å; I295-W312 HydrophobicContact CD1-CZ2 4.27Å; I295-W312 HydrophobicContact CD1-CZ3 4.3Å; I295-W312 HydrophobicContact CG1-CB 4.5Å; I295-W312 HydrophobicContact CG1-CD2 3.7Å; I295-W312 HydrophobicContact CG1-CE3 4.13Å; I295-W312 HydrophobicContact CG1-CG 3.85Å; I295-W312 HydrophobicContact CG1-CZ2 4.39Å; P304-W312 HydrophobicContact CB-CZ2 4.3Å; P304-W312 PolarHBondContact O-NE1 2.81Å; P306-W312 VanDerWaalsContact CA-CZ2 3.42Å; P306-W312 HydrophobicContact CB-CD2 3.97Å; P306-W312 HydrophobicContact CB-CG 4.35Å; P306-W312 HydrophobicContact CB-CZ2 3.98Å; W312-E314 VanDerWaalsContact C-N 3.28Å; W312-E314 PolarHBondContact O-N 2.97Å; W312-V315 HydrophobicContact CB-CG2 4.27Å; W312-V315 HydrophobicContact CG-CG2 4.37Å
313	K	98.5	Very high	97.5	Very high	116 Å²	116	62.4 Å²	62.4	50%	0.504	34%	0.343	S	S	.	.	S	Bend	trans	-57.9	-46.1	170.2	-170.1	171.9	175.7	174.4	0	111.1	P290 E291 V293 I294	P290-K313 PolarHBondContact O-N 2.8Å; E291-K313 WeakPolarHBondContact O-CB 3.47Å; E291-K313 WeakPolarHBondContact O-CG 3.45Å; V293-K313 VanDerWaalsContact O-CB 3.23Å; V293-K313 WeakPolarHBondContact O-CB 3.32Å; V293-K313 PolarHBondContact O-N 3.44Å; I294-K313 HydrophobicContact CD1-CD 4.35Å; I294-K313 HydrophobicContact CG1-CB 4.12Å; I294-K313 HydrophobicContact CG1-CD 4Å; I294-K313 HydrophobicContact CG1-CG 4.28Å
314	E	98.4	Very high	97.5	Very high	66 Å²	66	59.5 Å²	59.5	31%	0.308	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	148.3	-177.8	-173.5	-169.1	142.7	0	0	109.3	I294 I295 W312 R316	I294-E314 CarbonylContact C-O 3.59Å; I294-E314 WeakPolarHBondContact CA-O 3.33Å; I294-E314 HydrophobicContact CB-CB 4.48Å; I294-E314 HydrophobicContact CG1-CB 4.11Å; I294-E314 HydrophobicContact CG2-CB 4.07Å; I294-E314 HydrophobicContact CG2-CG 4.49Å; I295-E314 PolarHBondContact N-O 2.93Å; W312-E314 VanDerWaalsContact C-N 3.28Å; W312-E314 PolarHBondContact O-N 2.97Å; E314-R316 IonicContact OE1-CZ 3.93Å; E314-R316 IonicContact OE1-NE 3.48Å; E314-R316 PolarHBondContact OE1-NE 3.31Å; E314-R316 IonicContact OE1-NH2 2.98Å; E314-R316 PolarHBondContact OE1-NH2 2.58Å; E314-R316 IonicContact OE2-CZ 3.01Å; E314-R316 IonicContact OE2-NE 2.89Å; E314-R316 IonicContact OE2-NH2 3.77Å; E314-R316 PolarHBondContact OE2-NH2 3.48Å
315	V	98.4	Very high	97.5	Very high	55 Å²	55	59.2 Å²	59.2	33%	0.333	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.1	165.3	-178.2	0	0	0	0	107.1	I295 V303 W312	I295-V315 HydrophobicContact CB-CG1 4.47Å; I295-V315 HydrophobicContact CB-CG2 4.29Å; I295-V315 HydrophobicContact CG2-CG1 4.38Å; I295-V315 WeakPolarHBondContact O-CA 3.26Å; V303-V315 HydrophobicContact CG1-CG1 3.76Å; V303-V315 HydrophobicContact CG1-CG2 4Å; V303-V315 HydrophobicContact CG2-CG1 4.29Å; W312-V315 HydrophobicContact CB-CG2 4.27Å; W312-V315 HydrophobicContact CG-CG2 4.37Å
316	R	97.7	Very high	97.6	Very high	31 Å²	31	55.2 Å²	55.2	12%	0.117	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	171.3	177.5	70.8	174.7	69.3	157.8	-0.3	112.3	I20 I294 I295 N296 C297 E314 W323	I20-R316 VanDerWaalsContact CG2-NH1 3.27Å; I294-R316 HydrophobicContact CG2-CG 4.3Å; I295-R316 PolarHBondContact O-N 2.88Å; N296-R316 WeakPolarHBondContact CA-O 3.37Å; N296-R316 HydrophobicContact CB-CG 4.24Å; N296-R316 PolarHBondContact OD1-O 3.3Å; C297-R316 PolarHBondContact N-O 2.84Å; C297-R316 VanDerWaalsContact N-O 3.14Å; E314-R316 IonicContact OE1-CZ 3.93Å; E314-R316 IonicContact OE1-NE 3.48Å; E314-R316 PolarHBondContact OE1-NE 3.31Å; E314-R316 IonicContact OE1-NH2 2.98Å; E314-R316 PolarHBondContact OE1-NH2 2.58Å; E314-R316 IonicContact OE2-CZ 3.01Å; E314-R316 IonicContact OE2-NE 2.89Å; E314-R316 IonicContact OE2-NH2 3.77Å; E314-R316 PolarHBondContact OE2-NH2 3.48Å; R316-W323 HydrophobicContact CG-CH2 4.1Å
317	H	98.2	Very high	97.6	Very high	73 Å²	73	53.6 Å²	53.6	34%	0.338	28%	0.279	S	S	.	.			trans	-135.2	56.5	-173.5	-48.4	-71	0	0	0	110.8	C297 K299	C297-H317 VanDerWaalsContact O-CA 3.24Å; C297-H317 WeakPolarHBondContact O-CA 3.35Å; C297-H317 WeakPolarHBondContact O-CB 3.15Å; C297-H317 PolarHBondContact O-ND1 2.82Å; K299-H317 HydrophobicContact CG-CB 3.62Å; K299-H317 VanDerWaalsContact CG-CG 3.48Å
318	D	97.6	Very high	97.6	Very high	35 Å²	35	53.2 Å²	53.2	19%	0.187	28%	0.276	C	S	.	.			trans	-94	103	-176.9	-176	-4.8	0	0	0	109.8	W128 N296 S320 V321	W128-D318 WeakPolarHBondContact CZ2-O 3.27Å; N296-D318 PolarHBondContact ND2-O 2.87Å; N296-D318 PolarHBondContact OD1-N 2.83Å; D318-S320 VanDerWaalsContact C-N 3.31Å; D318-S320 WeakPolarHBondContact OD1-CB 3.48Å; D318-S320 PolarHBondContact OD1-N 3.45Å; D318-S320 PolarHBondContact OD1-OG 2.9Å; D318-V321 HydrophobicContact CB-CG2 4.08Å; D318-V321 VanDerWaalsContact O-CG2 3.3Å; D318-V321 WeakPolarHBondContact O-CG2 3.28Å; D318-V321 WeakPolarHBondContact OD2-CG1 3.5Å
319	N	96.4	Very high	97.5	Very high	67 Å²	67	44 Å²	44	36%	0.358	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.7	179.9	68.4	-10.4	0	0	0	113.9	V126 K127 W128 V321	V126-N319 HydrophobicContact CG1-CB 4.33Å; K127-N319 PolarHBondContact N-O 3.28Å; W128-N319 HydrophobicContact CD2-CB 4.04Å; W128-N319 HydrophobicContact CE3-CB 3.91Å; W128-N319 HydrophobicContact CH2-CB 3.97Å; W128-N319 HydrophobicContact CZ2-CB 4.1Å; W128-N319 HydrophobicContact CZ3-CB 3.85Å; W128-N319 WeakPolarHBondContact O-CB 3.45Å; N319-V321 VanDerWaalsContact C-N 3.32Å
320	S	95.4	Very high	97.5	Very high	31 Å²	31	42.3 Å²	42.3	22%	0.217	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-16.7	173.2	75.4	0	0	0	0	112.5	K127 D318	K127-S320 WeakPolarHBondContact CE-O 3.46Å; K127-S320 WeakPolarHBondContact CG-O 3.42Å; D318-S320 VanDerWaalsContact C-N 3.31Å; D318-S320 WeakPolarHBondContact OD1-CB 3.48Å; D318-S320 PolarHBondContact OD1-N 3.45Å; D318-S320 PolarHBondContact OD1-OG 2.9Å
321	V	95.3	Very high	97.3	Very high	5 Å²	5	39 Å²	39	3%	0.03	19%	0.191	C	C	.	.	S	Bend	trans	-109.8	163	-176.3	-53.5	0	0	0	0	112.6	E24 W128 N296 D318 N319 W323	E24-V321 HydrophobicContact CG-CG1 4.47Å; W128-V321 PolarHBondContact NE1-O 2.97Å; N296-V321 VanDerWaalsContact ND2-CG2 3.3Å; N296-V321 WeakPolarHBondContact ND2-CG2 3.16Å; D318-V321 HydrophobicContact CB-CG2 4.08Å; D318-V321 VanDerWaalsContact O-CG2 3.3Å; D318-V321 WeakPolarHBondContact O-CG2 3.28Å; D318-V321 WeakPolarHBondContact OD2-CG1 3.5Å; N319-V321 VanDerWaalsContact C-N 3.32Å; V321-W323 HydrophobicContact CG2-CD2 4.16Å; V321-W323 HydrophobicContact CG2-CG 4.29Å; V321-W323 HydrophobicContact CG2-CZ2 4.02Å
322	T	95.8	Very high	97	Very high	14 Å²	14	33.2 Å²	33.2	9%	0.086	17%	0.167	C	C	.	.			trans	-108.5	0.7	-175.9	65.8	0	0	0	0	115.1	K127 L346	K127-T322 HydrophobicContact CB-CG2 4.12Å; K127-T322 HydrophobicContact CD-CG2 4.37Å; K127-T322 HydrophobicContact CG-CG2 3.92Å; T322-L346 HydrophobicContact CG2-CB 4.45Å; T322-L346 HydrophobicContact CG2-CD1 4.13Å
323	W	97.6	Very high	96.8	Very high	12 Å²	12	37.6 Å²	37.6	5%	0.045	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	149.1	-177.7	55	-98	0	0	0	111.2	I294 N296 R316 V321 C326 Y337 M339	I294-W323 HydrophobicContact CG2-CH2 4.02Å; I294-W323 HydrophobicContact CG2-CZ3 4.23Å; N296-W323 HydrophobicContact CB-CD2 4.48Å; N296-W323 HydrophobicContact CB-CE3 3.66Å; N296-W323 HydrophobicContact CB-CH2 3.79Å; N296-W323 HydrophobicContact CB-CZ3 3.29Å; N296-W323 PolarHBondContact ND2-O 2.95Å; N296-W323 VanDerWaalsContact ND2-O 3.12Å; R316-W323 HydrophobicContact CG-CH2 4.1Å; V321-W323 HydrophobicContact CG2-CD2 4.16Å; V321-W323 HydrophobicContact CG2-CG 4.29Å; V321-W323 HydrophobicContact CG2-CZ2 4.02Å; W323-C326 HydrophobicContact CD2-CB 4.39Å; W323-C326 HydrophobicContact CE3-CB 4.07Å; W323-C326 HydrophobicContact CZ3-CB 4.23Å; W323-Y337 HydrophobicContact CB-CD1 3.67Å; W323-Y337 HydrophobicContact CB-CG 4.25Å; W323-Y337 AromaticContact CD1-CD1 3.62Å; W323-Y337 AromaticContact CD1-CE1 3.67Å; W323-Y337 HydrophobicContact CD2-CD1 4Å; W323-Y337 HydrophobicContact CD2-CE1 4.3Å; W323-Y337 AromaticContact CG-CD1 3.47Å; W323-Y337 HydrophobicContact CG-CD1 3.47Å; W323-Y337 VanDerWaalsContact CG-CD1 3.47Å; W323-Y337 AromaticContact CG-CE1 3.95Å; W323-Y337 HydrophobicContact CG-CE1 3.95Å; W323-Y337 HydrophobicContact CG-CG 4.48Å; W323-Y337 AromaticContact NE1-CE1 3.88Å; W323-M339 HydrophobicContact CB-CE 4.16Å; W323-M339 HydrophobicContact CB-CG 4.12Å
324	L	98.4	Very high	96.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-34.4	-176	-73.6	66.6	0	0	0	111.3	L131 H133 C252 I261 N296 I338 L340	L131-L324 HydrophobicContact CD1-CG 4.21Å; L131-L324 HydrophobicContact CD2-CG 4.38Å; H133-L324 HydrophobicContact CB-CD2 4.05Å; H133-L324 PolarHBondContact CE1-O 3.13Å; H133-L324 VanDerWaalsContact CE1-O 3.32Å; H133-L324 PolarHBondContact NE2-O 3.13Å; C252-L324 HydrophobicContact CB-CD2 3.92Å; I261-L324 HydrophobicContact CD1-CD2 3.59Å; I261-L324 HydrophobicContact CG1-CD2 3.77Å; N296-L324 PolarHBondContact N-O 2.68Å; L324-I338 HydrophobicContact CB-CG2 4.47Å; L324-I338 PolarHBondContact N-O 3.29Å; L324-L340 HydrophobicContact CD1-CD2 3.77Å; L324-L340 HydrophobicContact CD1-CG 4.06Å; L324-L340 HydrophobicContact CD2-CD2 4.05Å
325	A	98.5	Very high	96.4	Very high	1 Å²	1	32 Å²	32	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	153	172.2	0	0	0	0	0	109.8	V293 I294 I295 Y337 I338	V293-A325 HydrophobicContact CG1-CB 4.14Å; I294-A325 CarbonylContact O-C 3.51Å; I294-A325 WeakPolarHBondContact O-CA 3.22Å; I295-A325 HydrophobicContact CD1-CB 4.03Å; A325-Y337 CarbonylContact O-C 3.59Å; A325-Y337 WeakPolarHBondContact O-CA 3.18Å; A325-I338 HydrophobicContact CB-CB 4.28Å; A325-I338 HydrophobicContact CB-CD1 4.16Å; A325-I338 HydrophobicContact CB-CG1 4.39Å; A325-I338 PolarHBondContact O-N 3.22Å
326	C	98.3	Very high	96.4	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.02	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	161.1	174.2	75	0	0	0	0	112.2	I294 W323 K336 Y337	I294-C326 PolarHBondContact N-O 2.94Å; I294-C326 PolarHBondContact O-N 2.92Å; W323-C326 HydrophobicContact CD2-CB 4.39Å; W323-C326 HydrophobicContact CE3-CB 4.07Å; W323-C326 HydrophobicContact CZ3-CB 4.23Å; C326-K336 CarbonylContact C-O 3.5Å; C326-K336 WeakPolarHBondContact CA-O 3.45Å; C326-K336 VanDerWaalsContact CB-O 3.25Å; C326-K336 WeakPolarHBondContact CB-O 3.4Å; C326-Y337 HydrophobicContact CB-CD1 3.47Å; C326-Y337 VanDerWaalsContact CB-CD1 3.47Å; C326-Y337 HydrophobicContact CB-CE1 3.8Å; C326-Y337 HydrophobicContact CB-CG 4.29Å
327	W	98.3	Very high	96.4	Very high	10 Å²	10	30.7 Å²	30.7	4%	0.038	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	164.7	172.9	61.5	92.8	0	0	0	109.4	I266 I288 D292 F335 K336 I338	I266-W327 HydrophobicContact CG1-CH2 3.86Å; I266-W327 HydrophobicContact CG1-CZ2 4.41Å; I266-W327 HydrophobicContact CG1-CZ3 3.91Å; I266-W327 HydrophobicContact CG2-CZ2 4.48Å; I288-W327 VanDerWaalsContact CD1-CD1 3.46Å; I288-W327 HydrophobicContact CD1-CG 4.32Å; I288-W327 HydrophobicContact CG1-CG 4.36Å; I288-W327 HydrophobicContact CG2-CB 4.21Å; I288-W327 HydrophobicContact CG2-CD2 4.26Å; I288-W327 HydrophobicContact CG2-CG 3.93Å; D292-W327 WeakPolarHBondContact O-CB 3.3Å; W327-F335 CarbonylContact O-C 3.6Å; W327-F335 WeakPolarHBondContact O-CA 3.35Å; W327-K336 HydrophobicContact CD2-CB 4.06Å; W327-K336 VanDerWaalsContact CE2-CB 3.48Å; W327-K336 HydrophobicContact CG-CB 4.43Å; W327-K336 HydrophobicContact CH2-CB 4.45Å; W327-K336 HydrophobicContact CZ2-CB 3.7Å; W327-K336 HydrophobicContact CZ2-CG 4.47Å; W327-K336 PolarHBondContact N-O 3.32Å; W327-K336 PolarHBondContact O-N 3.37Å; W327-I338 HydrophobicContact CH2-CD1 4.45Å; W327-I338 HydrophobicContact CH2-CG1 4.11Å; W327-I338 HydrophobicContact CZ3-CD1 3.98Å; W327-I338 HydrophobicContact CZ3-CG1 3.77Å
328	T	97.7	Very high	96.4	Very high	47 Å²	47	27.4 Å²	27.4	29%	0.288	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	122.4	173.9	-52.9	0	0	0	0	109.1	N333 S334	T328-N333 HydrophobicContact CG2-CB 4.42Å; T328-S334 CarbonylContact C-O 3.54Å; T328-S334 WeakPolarHBondContact CA-O 3.13Å
329	E	94.8	Very high	96.3	Very high	19 Å²	19	27.4 Å²	27.4	9%	0.089	14%	0.142	C	C	.	.			trans	-81.7	147.6	173	63.7	68.1	-142.9	0	0	111.3	I331 Q332 N333 S334 K336	E329-I331 WeakPolarHBondContact OE2-CA 3.28Å; E329-I331 VanDerWaalsContact OE2-CB 3.25Å; E329-I331 WeakPolarHBondContact OE2-CB 3.41Å; E329-I331 PolarHBondContact OE2-N 3.37Å; E329-Q332 VanDerWaalsContact OE1-C 3.26Å; E329-Q332 WeakPolarHBondContact OE1-CA 3.49Å; E329-Q332 WeakPolarHBondContact OE1-CB 3.45Å; E329-Q332 PolarHBondContact OE1-N 2.87Å; E329-Q332 PolarHBondContact OE2-N 3.04Å; E329-N333 WeakPolarHBondContact O-CA 3.16Å; E329-N333 PolarHBondContact O-N 2.75Å; E329-N333 VanDerWaalsContact O-N 3.11Å; E329-N333 PolarHBondContact OE1-N 3.43Å; E329-N333 VanDerWaalsContact OE1-N 3.14Å; E329-S334 WeakPolarHBondContact CG-OG 3.47Å; E329-S334 PolarHBondContact N-O 3.42Å; E329-S334 WeakPolarHBondContact OE1-CB 3.2Å; E329-S334 PolarHBondContact OE1-N 2.88Å; E329-S334 PolarHBondContact OE1-OG 3.48Å; E329-K336 HydrophobicContact CB-CG 3.94Å; E329-K336 HydrophobicContact CG-CD 4.49Å; E329-K336 HydrophobicContact CG-CG 3.84Å
330	N	96.6	Very high	96.4	Very high	48 Å²	48	24.6 Å²	24.6	26%	0.257	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-3.3	-165.3	72.7	-80.6	0	0	0	115.7	L284 K286	L284-N330 PolarHBondContact O-ND2 2.9Å; K286-N330 HydrophobicContact CD-CB 4.33Å; K286-N330 PolarHBondContact N-OD1 2.91Å
331	I	95.8	Very high	96.4	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.015	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-50.6	-177.4	-55.7	-61.9	0	0	0	110.4	F272 K280 M283 L284 K285 E329	F272-I331 HydrophobicContact CB-CD1 4.16Å; F272-I331 HydrophobicContact CB-CG1 4.18Å; F272-I331 HydrophobicContact CB-CG2 4.43Å; F272-I331 HydrophobicContact CD1-CG2 3.88Å; F272-I331 HydrophobicContact CD2-CG1 4.26Å; F272-I331 HydrophobicContact CD2-CG2 4.14Å; F272-I331 HydrophobicContact CE1-CG2 4.12Å; F272-I331 HydrophobicContact CE2-CG2 4.38Å; F272-I331 HydrophobicContact CG-CG1 4.26Å; F272-I331 HydrophobicContact CG-CG2 3.89Å; F272-I331 HydrophobicContact CZ-CG2 4.36Å; K280-I331 HydrophobicContact CB-CG2 4Å; K280-I331 HydrophobicContact CD-CG2 3.74Å; K280-I331 WeakPolarHBondContact CD-O 3.36Å; K280-I331 PolarHBondContact NZ-O 3.31Å; M283-I331 HydrophobicContact CB-CD1 3.7Å; L284-I331 WeakPolarHBondContact O-CD1 3.24Å; K285-I331 HydrophobicContact CG-CD1 4.16Å; K285-I331 HydrophobicContact CG-CG1 3.79Å; E329-I331 WeakPolarHBondContact OE2-CA 3.28Å; E329-I331 VanDerWaalsContact OE2-CB 3.25Å; E329-I331 WeakPolarHBondContact OE2-CB 3.41Å; E329-I331 PolarHBondContact OE2-N 3.37Å
332	Q	91.9	Very high	96.3	Very high	30 Å²	30	27.1 Å²	27.1	14%	0.14	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	1.7	178.8	-47.9	-173.2	-69.2	0	0	112.8	E329 S334	E329-Q332 VanDerWaalsContact OE1-C 3.26Å; E329-Q332 WeakPolarHBondContact OE1-CA 3.49Å; E329-Q332 WeakPolarHBondContact OE1-CB 3.45Å; E329-Q332 PolarHBondContact OE1-N 2.87Å; E329-Q332 PolarHBondContact OE2-N 3.04Å; Q332-S334 PolarHBondContact O-N 2.81Å
333	N	94	Very high	96.1	Very high	122 Å²	122	28.2 Å²	28.2	65%	0.652	15%	0.15	S	C	*	.			trans	54.5	30.3	-174	-60.9	-45.7	0	0	0	112.5	T328 E329	T328-N333 HydrophobicContact CG2-CB 4.42Å; E329-N333 WeakPolarHBondContact O-CA 3.16Å; E329-N333 PolarHBondContact O-N 2.75Å; E329-N333 VanDerWaalsContact O-N 3.11Å; E329-N333 PolarHBondContact OE1-N 3.43Å; E329-N333 VanDerWaalsContact OE1-N 3.14Å
334	S	92.4	Very high	96	Very high	7 Å²	7	27.7 Å²	27.7	5%	0.049	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-93.9	158.3	-179.7	67.9	0	0	0	0	111.3	T328 E329 Q332	T328-S334 CarbonylContact C-O 3.54Å; T328-S334 WeakPolarHBondContact CA-O 3.13Å; E329-S334 WeakPolarHBondContact CG-OG 3.47Å; E329-S334 PolarHBondContact N-O 3.42Å; E329-S334 WeakPolarHBondContact OE1-CB 3.2Å; E329-S334 PolarHBondContact OE1-N 2.88Å; E329-S334 PolarHBondContact OE1-OG 3.48Å; Q332-S334 PolarHBondContact O-N 2.81Å
335	F	95.9	Very high	95.7	Very high	58 Å²	58	29.8 Å²	29.8	25%	0.254	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	131.4	175.2	-73.2	-78.7	0	0	0	110.9	R35 W327 Y337	R35-F335 PolarHBondContact O-N 3.31Å; R35-F335 VanDerWaalsContact O-N 3.11Å; W327-F335 CarbonylContact O-C 3.6Å; W327-F335 WeakPolarHBondContact O-CA 3.35Å; F335-Y337 HydrophobicContact CB-CD2 4.46Å; F335-Y337 HydrophobicContact CB-CE1 4.15Å; F335-Y337 HydrophobicContact CB-CE2 3.58Å; F335-Y337 VanDerWaalsContact CB-CZ 3.4Å; F335-Y337 VanDerWaalsContact CB-OH 3.25Å; F335-Y337 WeakPolarHBondContact CB-OH 3.45Å; F335-Y337 WeakPolarHBondContact O-CE2 3.38Å
336	K	97.2	Very high	95.4	Very high	18 Å²	18	30.4 Å²	30.4	8%	0.078	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	144.8	165.6	-69.7	-72	-168	133	0	108.7	E267 C326 W327 E329	E267-K336 IonicContact OE1-NZ 3.08Å; E267-K336 PolarHBondContact OE1-NZ 3.12Å; E267-K336 IonicContact OE2-NZ 3.52Å; E267-K336 PolarHBondContact OE2-NZ 2.71Å; E267-K336 VanDerWaalsContact OE2-NZ 3.17Å; C326-K336 CarbonylContact C-O 3.5Å; C326-K336 WeakPolarHBondContact CA-O 3.45Å; C326-K336 VanDerWaalsContact CB-O 3.25Å; C326-K336 WeakPolarHBondContact CB-O 3.4Å; W327-K336 HydrophobicContact CD2-CB 4.06Å; W327-K336 VanDerWaalsContact CE2-CB 3.48Å; W327-K336 HydrophobicContact CG-CB 4.43Å; W327-K336 HydrophobicContact CH2-CB 4.45Å; W327-K336 HydrophobicContact CZ2-CB 3.7Å; W327-K336 HydrophobicContact CZ2-CG 4.47Å; W327-K336 PolarHBondContact N-O 3.32Å; W327-K336 PolarHBondContact O-N 3.37Å; E329-K336 HydrophobicContact CB-CG 3.94Å; E329-K336 HydrophobicContact CG-CD 4.49Å; E329-K336 HydrophobicContact CG-CG 3.84Å
337	Y	97.8	Very high	95.2	Very high	39 Å²	39	33.4 Å²	33.4	15%	0.153	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.3	-173.1	-57.3	-88	0	0	0	111.1	N263 W323 A325 C326 F335 M339	N263-Y337 PolarHBondContact ND2-O 3.45Å; W323-Y337 HydrophobicContact CB-CD1 3.67Å; W323-Y337 HydrophobicContact CB-CG 4.25Å; W323-Y337 AromaticContact CD1-CD1 3.62Å; W323-Y337 AromaticContact CD1-CE1 3.67Å; W323-Y337 HydrophobicContact CD2-CD1 4Å; W323-Y337 HydrophobicContact CD2-CE1 4.3Å; W323-Y337 AromaticContact CG-CD1 3.47Å; W323-Y337 HydrophobicContact CG-CD1 3.47Å; W323-Y337 VanDerWaalsContact CG-CD1 3.47Å; W323-Y337 AromaticContact CG-CE1 3.95Å; W323-Y337 HydrophobicContact CG-CE1 3.95Å; W323-Y337 HydrophobicContact CG-CG 4.48Å; W323-Y337 AromaticContact NE1-CE1 3.88Å; A325-Y337 CarbonylContact O-C 3.59Å; A325-Y337 WeakPolarHBondContact O-CA 3.18Å; C326-Y337 HydrophobicContact CB-CD1 3.47Å; C326-Y337 VanDerWaalsContact CB-CD1 3.47Å; C326-Y337 HydrophobicContact CB-CE1 3.8Å; C326-Y337 HydrophobicContact CB-CG 4.29Å; F335-Y337 HydrophobicContact CB-CD2 4.46Å; F335-Y337 HydrophobicContact CB-CE1 4.15Å; F335-Y337 HydrophobicContact CB-CE2 3.58Å; F335-Y337 VanDerWaalsContact CB-CZ 3.4Å; F335-Y337 VanDerWaalsContact CB-OH 3.25Å; F335-Y337 WeakPolarHBondContact CB-OH 3.45Å; F335-Y337 WeakPolarHBondContact O-CE2 3.38Å; Y337-M339 HydrophobicContact CD1-CE 4.36Å; Y337-M339 HydrophobicContact CD2-CE 4.12Å; Y337-M339 HydrophobicContact CG-CE 3.83Å
338	I	98.1	Very high	94.9	Very high	5 Å²	5	33 Å²	33	3%	0.026	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.5	160	-62.3	-177.7	0	0	0	107.3	P136 I261 N263 L324 A325 W327	P136-I338 HydrophobicContact CB-CD1 3.59Å; I261-I338 HydrophobicContact CG2-CG2 3.39Å; N263-I338 WeakPolarHBondContact O-CG1 3.26Å; L324-I338 HydrophobicContact CB-CG2 4.47Å; L324-I338 PolarHBondContact N-O 3.29Å; A325-I338 HydrophobicContact CB-CB 4.28Å; A325-I338 HydrophobicContact CB-CD1 4.16Å; A325-I338 HydrophobicContact CB-CG1 4.39Å; A325-I338 PolarHBondContact O-N 3.22Å; W327-I338 HydrophobicContact CH2-CD1 4.45Å; W327-I338 HydrophobicContact CH2-CG1 4.11Å; W327-I338 HydrophobicContact CZ3-CD1 3.98Å; W327-I338 HydrophobicContact CZ3-CG1 3.77Å
339	M	97	Very high	94.6	Very high	34 Å²	34	32.5 Å²	32.5	17%	0.167	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	164.8	-179.4	-66.7	-176.3	176.2	0	0	110.7	G262 N263 W323 Y337 K347	G262-M339 PolarHBondContact N-O 3.31Å; N263-M339 PolarHBondContact OD1-N 3.39Å; W323-M339 HydrophobicContact CB-CE 4.16Å; W323-M339 HydrophobicContact CB-CG 4.12Å; Y337-M339 HydrophobicContact CD1-CE 4.36Å; Y337-M339 HydrophobicContact CD2-CE 4.12Å; Y337-M339 HydrophobicContact CG-CE 3.83Å; M339-K347 PolarHBondContact SD-NZ 3.45Å
340	L	97	Very high	94.5	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.042	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-63	155.1	174.9	-55.9	-177.9	0	0	0	112.6	C252 L254 Q259 I261 L324 S344 L346	C252-L340 WeakPolarHBondContact SG-CD2 3.35Å; L254-L340 HydrophobicContact CD1-CD1 4.44Å; L254-L340 HydrophobicContact CD2-CD1 3.84Å; Q259-L340 HydrophobicContact CB-CD2 4.46Å; I261-L340 HydrophobicContact CG1-CD2 4.42Å; L324-L340 HydrophobicContact CD1-CD2 3.77Å; L324-L340 HydrophobicContact CD1-CG 4.06Å; L324-L340 HydrophobicContact CD2-CD2 4.05Å; L340-S344 WeakPolarHBondContact CB-OG 3.16Å; L340-L346 HydrophobicContact CD1-CD1 3.94Å; L340-L346 HydrophobicContact CD1-CG 4.27Å
341	N	95.4	Very high	94.3	Very high	27 Å²	27	35.3 Å²	35.3	14%	0.144	18%	0.176	C	C	.	.			trans	-62.5	150.4	176.5	-169	-79.2	0	0	0	111	R260 S343 S344	R260-N341 HydrophobicContact CB-CB 3.89Å; R260-N341 HydrophobicContact CG-CB 3.98Å; R260-N341 WeakPolarHBondContact O-CB 3.41Å; R260-N341 PolarHBondContact O-N 2.84Å; N341-S343 PolarHBondContact O-N 3.19Å; N341-S343 PolarHBondContact OD1-N 3.16Å; N341-S343 PolarHBondContact OD1-OG 3.14Å; N341-S344 WeakPolarHBondContact O-CB 3.28Å; N341-S344 PolarHBondContact O-N 2.7Å; N341-S344 PolarHBondContact O-OG 2.94Å
342	P	93.3	Very high	94.2	Very high	62 Å²	62	37.9 Å²	37.9	40%	0.403	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-21.7	177.2	-30.7	36.8	0	0	0	116.6	S344 K661	P342-S344 VanDerWaalsContact C-N 3.29Å; P342-K661 HydrophobicContact CB-CB 4.39Å; P342-K661 HydrophobicContact CB-CD 3.97Å; P342-K661 HydrophobicContact CB-CG 3.86Å
343	S	93.2	Very high	94.2	Very high	38 Å²	38	39.8 Å²	39.8	27%	0.266	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-9.5	175.3	65.6	0	0	0	0	114.5	N341 E660	N341-S343 PolarHBondContact O-N 3.19Å; N341-S343 PolarHBondContact OD1-N 3.16Å; N341-S343 PolarHBondContact OD1-OG 3.14Å; S343-E660 WeakPolarHBondContact CB-O 3.28Å
344	S	93.9	Very high	94.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-74.1	153.8	-178.6	62.7	0	0	0	0	113	L340 N341 P342 L346 K347 G348	L340-S344 WeakPolarHBondContact CB-OG 3.16Å; N341-S344 WeakPolarHBondContact O-CB 3.28Å; N341-S344 PolarHBondContact O-N 2.7Å; N341-S344 PolarHBondContact O-OG 2.94Å; P342-S344 VanDerWaalsContact C-N 3.29Å; S344-L346 PolarHBondContact O-N 3.42Å; S344-K347 PolarHBondContact O-N 3.17Å; S344-K347 VanDerWaalsContact O-N 3.14Å; S344-G348 PolarHBondContact O-N 2.81Å
345	R	93.2	Very high	94.3	Very high	47 Å²	47	36.1 Å²	36.1	18%	0.177	17%	0.17	C	C	.	.	H	α-helix	trans	-46.6	-54.8	175.7	179.4	177.2	79.7	138.1	6.4	112.7	W114 W116 E119 K127 D255 K347 G348 E349	W114-R345 HydrophobicContact CE3-CB 4.11Å; W114-R345 HydrophobicContact CH2-CB 3.97Å; W114-R345 VanDerWaalsContact CH2-CD 3.49Å; W114-R345 HydrophobicContact CH2-CG 4.35Å; W114-R345 VanDerWaalsContact CH2-NE 3.32Å; W114-R345 HydrophobicContact CZ3-CB 3.72Å; W116-R345 HydrophobicContact CB-CB 3.84Å; W116-R345 HydrophobicContact CB-CG 3.54Å; W116-R345 HydrophobicContact CD2-CB 4.23Å; W116-R345 HydrophobicContact CD2-CG 4.02Å; W116-R345 HydrophobicContact CE3-CG 4.37Å; W116-R345 HydrophobicContact CG-CB 3.65Å; W116-R345 HydrophobicContact CG-CG 3.65Å; E119-R345 IonicContact OE2-NH1 2.57Å; K127-R345 PolarHBondContact O-NH2 3.2Å; D255-R345 IonicContact OD2-CZ 2.74Å; D255-R345 IonicContact OD2-NH2 3.63Å; D255-R345 PolarHBondContact OD2-NH2 3.19Å; R345-K347 PolarHBondContact O-N 3.03Å; R345-K347 VanDerWaalsContact O-N 3.16Å; R345-G348 PolarHBondContact O-N 3.25Å; R345-E349 WeakPolarHBondContact O-CB 3.37Å; R345-E349 PolarHBondContact O-N 3.3Å
346	L	92.5	Very high	94.2	Very high	13 Å²	13	35.6 Å²	35.6	7%	0.068	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-28.3	-174.6	-56.7	-175.3	0	0	0	113.9	K127 L254 T322 L340 S344 K350	K127-L346 WeakPolarHBondContact O-CD2 3.44Å; L254-L346 HydrophobicContact CD1-CD1 4.14Å; L254-L346 HydrophobicContact CD2-CD1 3.86Å; L254-L346 HydrophobicContact CD2-CD2 4.35Å; L254-L346 HydrophobicContact CD2-CG 3.79Å; T322-L346 HydrophobicContact CG2-CB 4.45Å; T322-L346 HydrophobicContact CG2-CD1 4.13Å; L340-L346 HydrophobicContact CD1-CD1 3.94Å; L340-L346 HydrophobicContact CD1-CG 4.27Å; S344-L346 PolarHBondContact O-N 3.42Å; L346-K350 WeakPolarHBondContact O-CG 3.32Å
347	K	92.9	Very high	94	Very high	66 Å²	66	36.5 Å²	36.5	29%	0.287	18%	0.176	S	C	.	.	H	α-helix	trans	-87	-43.1	175.2	-69	-65.5	-174.2	179.9	0	111.3	M339 S344 R345 K350 D351	M339-K347 PolarHBondContact SD-NZ 3.45Å; S344-K347 PolarHBondContact O-N 3.17Å; S344-K347 VanDerWaalsContact O-N 3.14Å; R345-K347 PolarHBondContact O-N 3.03Å; R345-K347 VanDerWaalsContact O-N 3.16Å; K347-K350 PolarHBondContact O-N 3.34Å; K347-D351 PolarHBondContact O-N 3.46Å
348	G	92.6	Very high	94	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-48.1	179.8	0	0	0	0	0	112.6	W116 S344 R345 K350 D351 W352	W116-G348 VanDerWaalsContact CH2-C 3.45Å; S344-G348 PolarHBondContact O-N 2.81Å; R345-G348 PolarHBondContact O-N 3.25Å; G348-K350 VanDerWaalsContact C-N 3.34Å; G348-K350 PolarHBondContact O-N 2.98Å; G348-D351 CarbonylContact O-C 3.53Å; G348-D351 WeakPolarHBondContact O-CA 3.34Å; G348-D351 WeakPolarHBondContact O-CB 3.42Å; G348-D351 PolarHBondContact O-N 3.38Å; G348-W352 PolarHBondContact O-N 2.82Å
349	E	91.7	Very high	93.8	Very high	37 Å²	37	34.6 Å²	34.6	17%	0.173	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-40.1	-179.9	-165.8	-163.7	161.2	0	0	111.8	W116 R345 D351 W352 K353	W116-E349 HydrophobicContact CE3-CB 4.36Å; W116-E349 HydrophobicContact CZ3-CB 4.04Å; W116-E349 HydrophobicContact CZ3-CG 4.46Å; R345-E349 WeakPolarHBondContact O-CB 3.37Å; R345-E349 PolarHBondContact O-N 3.3Å; E349-D351 VanDerWaalsContact C-N 3.34Å; E349-D351 PolarHBondContact O-N 2.96Å; E349-W352 HydrophobicContact CG-CE3 4.29Å; E349-W352 PolarHBondContact O-N 3.39Å; E349-K353 WeakPolarHBondContact O-CB 3.33Å; E349-K353 WeakPolarHBondContact O-CG 3.3Å; E349-K353 PolarHBondContact O-N 2.92Å; E349-K353 WeakPolarHBondContact OE1-CE 3.31Å; E349-K353 IonicContact OE1-NZ 3.08Å; E349-K353 PolarHBondContact OE1-NZ 3.06Å
350	K	91.5	Very high	93.7	Very high	103 Å²	103	35.6 Å²	35.6	45%	0.448	18%	0.178	S	C	.	.	H	α-helix	trans	-64	-38.8	173.3	-73	-176.7	-179.8	-177	0	111.8	L346 K347 G348 K354	L346-K350 WeakPolarHBondContact O-CG 3.32Å; K347-K350 PolarHBondContact O-N 3.34Å; G348-K350 VanDerWaalsContact C-N 3.34Å; G348-K350 PolarHBondContact O-N 2.98Å; K350-K354 WeakPolarHBondContact O-CB 3.13Å; K350-K354 PolarHBondContact O-N 3.39Å; K350-K354 VanDerWaalsContact O-N 3.08Å
351	D	92.7	Very high	93.6	Very high	23 Å²	23	35.2 Å²	35.2	12%	0.123	18%	0.176	C	C	.	.	H	α-helix	trans	-69.3	-40	177.5	-147.9	39.3	0	0	0	111.2	K347 G348 E349 K354 Y355 K661	K347-D351 PolarHBondContact O-N 3.46Å; G348-D351 CarbonylContact O-C 3.53Å; G348-D351 WeakPolarHBondContact O-CA 3.34Å; G348-D351 WeakPolarHBondContact O-CB 3.42Å; G348-D351 PolarHBondContact O-N 3.38Å; E349-D351 VanDerWaalsContact C-N 3.34Å; E349-D351 PolarHBondContact O-N 2.96Å; D351-K354 WeakPolarHBondContact O-CB 3.49Å; D351-K354 PolarHBondContact O-N 3.2Å; D351-K354 WeakPolarHBondContact OD1-CE 3.31Å; D351-K354 IonicContact OD1-NZ 2.68Å; D351-K354 PolarHBondContact OD1-NZ 3.42Å; D351-K354 IonicContact OD2-NZ 2.67Å; D351-Y355 WeakPolarHBondContact O-CD2 3.33Å; D351-Y355 WeakPolarHBondContact O-CE2 3.2Å; D351-Y355 PolarHBondContact O-N 3.39Å; D351-K661 IonicContact OD1-NZ 3.22Å; D351-K661 WeakPolarHBondContact OD2-CE 3.25Å; D351-K661 IonicContact OD2-NZ 3.69Å; D351-K661 PolarHBondContact OD2-NZ 3.13Å
352	W	93.3	Very high	93.6	Very high	57 Å²	57	36.5 Å²	36.5	22%	0.216	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-53.6	173.6	172.8	54.4	0	0	0	111.8	G348 E349 K354 Y355 E356 W664	G348-W352 PolarHBondContact O-N 2.82Å; E349-W352 HydrophobicContact CG-CE3 4.29Å; E349-W352 PolarHBondContact O-N 3.39Å; W352-K354 PolarHBondContact O-N 3.5Å; W352-Y355 WeakPolarHBondContact O-CA 3.26Å; W352-Y355 PolarHBondContact O-N 2.7Å; W352-E356 HydrophobicContact CZ2-CG 4.35Å; W352-E356 PolarHBondContact O-N 3.23Å; W352-W664 HydrophobicContact CB-CD2 4.47Å; W352-W664 HydrophobicContact CB-CE3 4.29Å; W352-W664 HydrophobicContact CB-CH2 4.05Å; W352-W664 HydrophobicContact CB-CZ2 4.18Å; W352-W664 HydrophobicContact CB-CZ3 4.1Å; W352-W664 AromaticContact CD1-CE3 3.92Å; W352-W664 AromaticContact CD1-CH2 3.78Å; W352-W664 AromaticContact CD1-CZ3 3.32Å; W352-W664 HydrophobicContact CG-CE3 4.26Å; W352-W664 HydrophobicContact CG-CH2 4.31Å; W352-W664 AromaticContact CG-CZ3 3.98Å; W352-W664 HydrophobicContact CG-CZ3 3.98Å
353	K	92.1	Very high	93.6	Very high	70 Å²	70	40 Å²	40	30%	0.304	19%	0.189	S	C	.	.	H	α-helix	trans	-54.7	-37	175.4	-75.6	176.6	-175	164.2	0	112.8	E349 Y355 E356 T357	E349-K353 WeakPolarHBondContact O-CB 3.33Å; E349-K353 WeakPolarHBondContact O-CG 3.3Å; E349-K353 PolarHBondContact O-N 2.92Å; E349-K353 WeakPolarHBondContact OE1-CE 3.31Å; E349-K353 IonicContact OE1-NZ 3.08Å; E349-K353 PolarHBondContact OE1-NZ 3.06Å; K353-Y355 VanDerWaalsContact C-N 3.31Å; K353-Y355 PolarHBondContact O-N 3.05Å; K353-E356 PolarHBondContact O-N 2.95Å; K353-T357 WeakPolarHBondContact O-CB 3.37Å; K353-T357 PolarHBondContact O-N 2.76Å; K353-T357 PolarHBondContact O-OG1 2.73Å
354	K	94.1	Very high	93.6	Very high	52 Å²	52	40.4 Å²	40.4	23%	0.226	19%	0.19	C	C	.	.	H	α-helix	trans	-59.7	-40.8	175.5	174.3	-155.4	72.8	-177.7	0	111.4	K350 D351 W352 A358 N632	K350-K354 WeakPolarHBondContact O-CB 3.13Å; K350-K354 PolarHBondContact O-N 3.39Å; K350-K354 VanDerWaalsContact O-N 3.08Å; D351-K354 WeakPolarHBondContact O-CB 3.49Å; D351-K354 PolarHBondContact O-N 3.2Å; D351-K354 WeakPolarHBondContact OD1-CE 3.31Å; D351-K354 IonicContact OD1-NZ 2.68Å; D351-K354 PolarHBondContact OD1-NZ 3.42Å; D351-K354 IonicContact OD2-NZ 2.67Å; W352-K354 PolarHBondContact O-N 3.5Å; K354-A358 PolarHBondContact O-N 3.42Å; K354-N632 PolarHBondContact NZ-O 2.78Å
355	Y	95.2	Very high	93.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-74.9	-38.5	176.6	-64.6	-62.6	0	0	0	112.1	D351 W352 K353 T357 A358 R359 T501 L634 D635 P636 W664	D351-Y355 WeakPolarHBondContact O-CD2 3.33Å; D351-Y355 WeakPolarHBondContact O-CE2 3.2Å; D351-Y355 PolarHBondContact O-N 3.39Å; W352-Y355 WeakPolarHBondContact O-CA 3.26Å; W352-Y355 PolarHBondContact O-N 2.7Å; K353-Y355 VanDerWaalsContact C-N 3.31Å; K353-Y355 PolarHBondContact O-N 3.05Å; Y355-T357 VanDerWaalsContact C-N 3.33Å; Y355-T357 PolarHBondContact O-N 2.9Å; Y355-A358 CarbonylContact O-C 3.55Å; Y355-A358 WeakPolarHBondContact O-CA 3.41Å; Y355-A358 WeakPolarHBondContact O-CB 3.35Å; Y355-A358 PolarHBondContact O-N 2.94Å; Y355-R359 WeakPolarHBondContact O-CG 3.21Å; Y355-R359 PolarHBondContact O-N 3.43Å; Y355-T501 HydrophobicContact CD1-CG2 3.71Å; Y355-T501 HydrophobicContact CE1-CG2 3.79Å; Y355-L634 VanDerWaalsContact CE1-O 3.29Å; Y355-L634 WeakPolarHBondContact CE1-O 3.41Å; Y355-L634 PolarHBondContact OH-O 3.01Å; Y355-D635 VanDerWaalsContact CD1-CA 3.48Å; Y355-D635 HydrophobicContact CD1-CB 3.62Å; Y355-D635 HydrophobicContact CE1-CB 4.07Å; Y355-D635 HydrophobicContact CG-CB 3.92Å; Y355-P636 VanDerWaalsContact CE2-CD 3.47Å; Y355-P636 HydrophobicContact CE2-CG 4.44Å; Y355-W664 HydrophobicContact CD2-CH2 4.16Å; Y355-W664 HydrophobicContact CD2-CZ2 4.22Å; Y355-W664 HydrophobicContact CE2-CZ2 4.44Å
356	E	93.4	Very high	93.9	Very high	46 Å²	46	43.4 Å²	43.4	22%	0.215	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-43.6	172.5	-71	-51.8	114.1	0	0	112.1	W352 K353 A358 R359 C360 R637	W352-E356 HydrophobicContact CZ2-CG 4.35Å; W352-E356 PolarHBondContact O-N 3.23Å; K353-E356 PolarHBondContact O-N 2.95Å; E356-A358 PolarHBondContact O-N 2.82Å; E356-R359 WeakPolarHBondContact O-CB 3.48Å; E356-R359 PolarHBondContact O-N 3.27Å; E356-R359 IonicContact OE1-NH1 2.81Å; E356-R359 PolarHBondContact OE1-NH1 2.7Å; E356-R359 IonicContact OE2-NH1 3.34Å; E356-R359 PolarHBondContact OE2-NH1 2.92Å; E356-R359 VanDerWaalsContact OE2-NH1 3.16Å; E356-C360 PolarHBondContact O-N 3.28Å; E356-C360 PolarHBondContact O-SG 2.87Å; E356-C360 VanDerWaalsContact O-SG 3.37Å; E356-R637 IonicContact OE1-CZ 3.49Å; E356-R637 IonicContact OE1-NH1 3.71Å; E356-R637 PolarHBondContact OE1-NH1 3.24Å; E356-R637 IonicContact OE1-NH2 3.5Å; E356-R637 PolarHBondContact OE1-NH2 2.65Å
357	T	94	Very high	94.1	Very high	38 Å²	38	49.7 Å²	49.7	23%	0.233	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-38.5	174.5	-50.5	0	0	0	0	111.3	K353 Y355 C360 L361 M491 V498	K353-T357 WeakPolarHBondContact O-CB 3.37Å; K353-T357 PolarHBondContact O-N 2.76Å; K353-T357 PolarHBondContact O-OG1 2.73Å; Y355-T357 VanDerWaalsContact C-N 3.33Å; Y355-T357 PolarHBondContact O-N 2.9Å; T357-C360 PolarHBondContact O-N 3.41Å; T357-L361 PolarHBondContact O-N 2.71Å; T357-M491 HydrophobicContact CG2-CE 3.62Å; T357-M491 VanDerWaalsContact O-CE 3.31Å; T357-M491 WeakPolarHBondContact O-CE 3.36Å; T357-V498 HydrophobicContact CG2-CG1 4.1Å; T357-V498 HydrophobicContact CG2-CG2 3.99Å
358	A	96.5	Very high	94.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-71	-30.5	177.2	0	0	0	0	0	112.9	K354 Y355 E356 H362 V498 T501 Y502 F675	K354-A358 PolarHBondContact O-N 3.42Å; Y355-A358 CarbonylContact O-C 3.55Å; Y355-A358 WeakPolarHBondContact O-CA 3.41Å; Y355-A358 WeakPolarHBondContact O-CB 3.35Å; Y355-A358 PolarHBondContact O-N 2.94Å; E356-A358 PolarHBondContact O-N 2.82Å; A358-H362 PolarHBondContact O-N 3.12Å; A358-V498 HydrophobicContact CB-CG1 4.19Å; A358-T501 HydrophobicContact CB-CG2 3.9Å; A358-Y502 WeakPolarHBondContact O-CD2 3.32Å; A358-F675 HydrophobicContact CB-CE2 4.23Å; A358-F675 HydrophobicContact CB-CZ 3.91Å
359	R	94.8	Very high	94.6	Very high	3 Å²	3	47.3 Å²	47.3	1%	0.011	23%	0.226	C	C	.	.	H	α-helix	trans	-72.3	-40.5	171.8	-67.4	178.1	71	-147.3	14.4	111.7	Y355 E356 L361 H362 Y673 F675 D677 V678 D681	Y355-R359 WeakPolarHBondContact O-CG 3.21Å; Y355-R359 PolarHBondContact O-N 3.43Å; E356-R359 WeakPolarHBondContact O-CB 3.48Å; E356-R359 PolarHBondContact O-N 3.27Å; E356-R359 IonicContact OE1-NH1 2.81Å; E356-R359 PolarHBondContact OE1-NH1 2.7Å; E356-R359 IonicContact OE2-NH1 3.34Å; E356-R359 PolarHBondContact OE2-NH1 2.92Å; E356-R359 VanDerWaalsContact OE2-NH1 3.16Å; R359-L361 VanDerWaalsContact C-N 3.28Å; R359-L361 PolarHBondContact O-N 3.38Å; R359-H362 WeakPolarHBondContact O-CB 3.4Å; R359-H362 PolarHBondContact O-N 3.15Å; R359-Y673 WeakPolarHBondContact CD-OH 3.32Å; R359-F675 HydrophobicContact CB-CE2 4.47Å; R359-F675 HydrophobicContact CG-CD2 3.43Å; R359-F675 VanDerWaalsContact CG-CD2 3.43Å; R359-F675 HydrophobicContact CG-CE2 3.31Å; R359-F675 HydrophobicContact CG-CG 4.18Å; R359-F675 HydrophobicContact CG-CZ 3.97Å; R359-F675 PolarHBondContact NE-O 2.78Å; R359-D677 PolarHBondContact NH2-O 3.04Å; R359-V678 HydrophobicContact CB-CG1 4.24Å; R359-V678 PolarHBondContact NH2-O 3.38Å; R359-D681 IonicContact CZ-OD2 3.98Å; R359-D681 IonicContact NH1-OD2 3.45Å; R359-D681 PolarHBondContact NH1-OD2 3.07Å; R359-D681 IonicContact NH2-OD2 3.09Å
360	C	93.8	Very high	94.9	Very high	55 Å²	55	48 Å²	48	37%	0.372	24%	0.238	S	C	.	.	H	α-helix	trans	-58.3	-40.7	171.4	-68.7	0	0	0	0	111.7	E356 T357 H362 K363 M491	E356-C360 PolarHBondContact O-N 3.28Å; E356-C360 PolarHBondContact O-SG 2.87Å; E356-C360 VanDerWaalsContact O-SG 3.37Å; T357-C360 PolarHBondContact O-N 3.41Å; C360-H362 PolarHBondContact O-N 3.45Å; C360-K363 WeakPolarHBondContact O-CB 3.43Å; C360-K363 PolarHBondContact O-N 3.1Å; C360-K363 VanDerWaalsContact O-N 3.1Å; C360-M491 HydrophobicContact CB-CE 4.18Å; C360-M491 HydrophobicContact CB-SD 3.97Å
361	L	96.2	Very high	95.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57	-37.5	174	176.7	59.3	0	0	0	111.6	T357 R359 K363 V364 I365 I368 M491 L494 V498 F499 Y502	T357-L361 PolarHBondContact O-N 2.71Å; R359-L361 VanDerWaalsContact C-N 3.28Å; R359-L361 PolarHBondContact O-N 3.38Å; L361-K363 VanDerWaalsContact C-N 3.26Å; L361-K363 PolarHBondContact O-N 3.21Å; L361-V364 HydrophobicContact CD1-CG2 4.37Å; L361-V364 PolarHBondContact O-N 3.43Å; L361-V364 VanDerWaalsContact O-N 3.16Å; L361-I365 HydrophobicContact CD1-CD1 3.91Å; L361-I365 HydrophobicContact CD2-CD1 4.46Å; L361-I365 HydrophobicContact CG-CD1 4.15Å; L361-I365 WeakPolarHBondContact O-CA 3.37Å; L361-I365 WeakPolarHBondContact O-CB 3.14Å; L361-I365 PolarHBondContact O-N 3.29Å; L361-I368 HydrophobicContact CD1-CD1 3.72Å; L361-M491 VanDerWaalsContact CA-SD 3.59Å; L361-M491 HydrophobicContact CB-CE 4.18Å; L361-M491 HydrophobicContact CB-SD 4.17Å; L361-M491 PolarHBondContact N-SD 3.2Å; L361-L494 HydrophobicContact CB-CD1 4.4Å; L361-L494 HydrophobicContact CD1-CD1 3.82Å; L361-L494 HydrophobicContact CD1-CD2 4.1Å; L361-L494 HydrophobicContact CD2-CD1 4.01Å; L361-L494 HydrophobicContact CG-CD1 4.3Å; L361-V498 HydrophobicContact CB-CG1 4.2Å; L361-V498 HydrophobicContact CD2-CG1 3.86Å; L361-F499 HydrophobicContact CD1-CE1 4.45Å; L361-F499 HydrophobicContact CD1-CZ 4.19Å; L361-F499 HydrophobicContact CD2-CD1 4.15Å; L361-F499 HydrophobicContact CD2-CD2 4.3Å; L361-F499 HydrophobicContact CD2-CE1 4.27Å; L361-F499 HydrophobicContact CD2-CE2 4.39Å; L361-F499 HydrophobicContact CD2-CG 4.16Å; L361-F499 HydrophobicContact CD2-CZ 4.37Å; L361-Y502 HydrophobicContact CD2-CD1 4.16Å; L361-Y502 HydrophobicContact CD2-CG 4Å; L361-Y502 HydrophobicContact CG-CG 4.4Å
362	H	95.2	Very high	95.5	Very high	54 Å²	54	44.6 Å²	44.6	25%	0.25	22%	0.224	C	C	.	.	H	α-helix	trans	-57.5	-38.5	178	-170.8	53.1	0	0	0	112.6	A358 R359 C360 V364 I365 Y502 L676	A358-H362 PolarHBondContact O-N 3.12Å; R359-H362 WeakPolarHBondContact O-CB 3.4Å; R359-H362 PolarHBondContact O-N 3.15Å; C360-H362 PolarHBondContact O-N 3.45Å; H362-V364 VanDerWaalsContact C-N 3.25Å; H362-V364 PolarHBondContact O-N 2.78Å; H362-I365 VanDerWaalsContact O-CG2 3.3Å; H362-I365 WeakPolarHBondContact O-CG2 3.34Å; H362-Y502 HydrophobicContact CB-CD2 4.29Å; H362-Y502 HydrophobicContact CB-CE2 3.64Å; H362-Y502 AromaticContact CG-CE2 3.86Å; H362-Y502 AromaticContact ND1-CE2 3.46Å; H362-Y502 WeakPolarHBondContact ND1-CE2 3.49Å; H362-Y502 AromaticContact ND1-CZ 3.67Å; H362-Y502 PolarHBondContact ND1-OH 3.14Å; H362-L676 PolarHBondContact CD2-O 3.17Å; H362-L676 PolarHBondContact NE2-O 3.48Å
363	K	92.3	Very high	95.7	Very high	135 Å²	135	48.3 Å²	48.3	59%	0.587	24%	0.238	S	C	*	.	H	α-helix	trans	-61.4	-32.5	179.1	-60.3	-175.6	175.4	-173.8	0	113.3	C360 L361 V678	C360-K363 WeakPolarHBondContact O-CB 3.43Å; C360-K363 PolarHBondContact O-N 3.1Å; C360-K363 VanDerWaalsContact O-N 3.1Å; L361-K363 VanDerWaalsContact C-N 3.26Å; L361-K363 PolarHBondContact O-N 3.21Å; K363-V678 HydrophobicContact CD-CG1 4.27Å; K363-V678 HydrophobicContact CD-CG2 4.27Å; K363-V678 HydrophobicContact CG-CG1 3.89Å; K363-V678 HydrophobicContact CG-CG2 4.24Å
364	V	94.6	Very high	96	Very high	47 Å²	47	48 Å²	48	29%	0.285	25%	0.249	S	C	.	.	H	α-helix	trans	-113.6	-3	-171.5	-62.1	0	0	0	0	113.4	L361 H362 D366 K367 I368 M491	L361-V364 HydrophobicContact CD1-CG2 4.37Å; L361-V364 PolarHBondContact O-N 3.43Å; L361-V364 VanDerWaalsContact O-N 3.16Å; H362-V364 VanDerWaalsContact C-N 3.25Å; H362-V364 PolarHBondContact O-N 2.78Å; V364-D366 VanDerWaalsContact C-N 3.28Å; V364-D366 PolarHBondContact O-N 3.14Å; V364-K367 WeakPolarHBondContact O-CB 3.2Å; V364-K367 PolarHBondContact O-N 3.43Å; V364-K367 VanDerWaalsContact O-N 3.16Å; V364-I368 HydrophobicContact CG2-CD1 3.96Å; V364-I368 WeakPolarHBondContact O-CG1 3.33Å; V364-I368 PolarHBondContact O-N 2.75Å; V364-I368 VanDerWaalsContact O-N 3.09Å; V364-M491 HydrophobicContact CG2-CB 4.43Å; V364-M491 HydrophobicContact CG2-SD 3.91Å
365	I	96.2	Very high	96.2	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-38.6	-171.1	-170	61.3	0	0	0	112.5	L361 H362 I368 R369 F499 Y502	L361-I365 HydrophobicContact CD1-CD1 3.91Å; L361-I365 HydrophobicContact CD2-CD1 4.46Å; L361-I365 HydrophobicContact CG-CD1 4.15Å; L361-I365 WeakPolarHBondContact O-CA 3.37Å; L361-I365 WeakPolarHBondContact O-CB 3.14Å; L361-I365 PolarHBondContact O-N 3.29Å; H362-I365 VanDerWaalsContact O-CG2 3.3Å; H362-I365 WeakPolarHBondContact O-CG2 3.34Å; I365-I368 PolarHBondContact O-N 3.37Å; I365-R369 HydrophobicContact CD1-CG 4.48Å; I365-R369 HydrophobicContact CG1-CG 4.31Å; I365-R369 VanDerWaalsContact CG1-CZ 3.44Å; I365-R369 WeakPolarHBondContact O-CB 3.26Å; I365-R369 WeakPolarHBondContact O-CG 3.49Å; I365-R369 PolarHBondContact O-N 3.02Å; I365-F499 HydrophobicContact CD1-CD1 4.24Å; I365-F499 HydrophobicContact CD1-CE1 3.63Å; I365-F499 HydrophobicContact CD1-CZ 4.46Å; I365-Y502 HydrophobicContact CD1-CE1 4.26Å; I365-Y502 HydrophobicContact CG1-CE1 3.94Å
366	D	96.8	Very high	96.3	Very high	110 Å²	110	47.3 Å²	47.3	59%	0.588	25%	0.247	S	C	*	.	H	α-helix	trans	-71.9	-33.3	-176.9	-70	-27.4	0	0	0	112.3	V364 R369 A370	V364-D366 VanDerWaalsContact C-N 3.28Å; V364-D366 PolarHBondContact O-N 3.14Å; D366-R369 PolarHBondContact O-N 2.86Å; D366-R369 IonicContact OD1-NH1 3.1Å; D366-R369 PolarHBondContact OD1-NH1 3.35Å; D366-A370 PolarHBondContact O-N 3.25Å
367	K	97.1	Very high	96.5	Very high	144 Å²	144	51.5 Å²	51.5	63%	0.626	27%	0.265	S	S	*	.	H	α-helix	trans	-61.6	-52.2	168.7	-178.6	-175.9	175	-174.1	0	110.5	V364 R369 A370 D371	V364-K367 WeakPolarHBondContact O-CB 3.2Å; V364-K367 PolarHBondContact O-N 3.43Å; V364-K367 VanDerWaalsContact O-N 3.16Å; K367-R369 PolarHBondContact O-N 2.66Å; K367-A370 WeakPolarHBondContact O-CA 3.44Å; K367-A370 WeakPolarHBondContact O-CB 3.39Å; K367-A370 PolarHBondContact O-N 3.3Å; K367-D371 VanDerWaalsContact O-CG 3.26Å; K367-D371 PolarHBondContact O-N 2.95Å
368	I	97.6	Very high	96.7	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-56.7	-39.1	178.4	-62.4	178.3	0	0	0	111.1	L361 V364 I365 D371 Y372 L390 L490 L494 F499	L361-I368 HydrophobicContact CD1-CD1 3.72Å; V364-I368 HydrophobicContact CG2-CD1 3.96Å; V364-I368 WeakPolarHBondContact O-CG1 3.33Å; V364-I368 PolarHBondContact O-N 2.75Å; V364-I368 VanDerWaalsContact O-N 3.09Å; I365-I368 PolarHBondContact O-N 3.37Å; I368-D371 PolarHBondContact O-N 3.49Å; I368-Y372 HydrophobicContact CG2-CD1 4.24Å; I368-Y372 WeakPolarHBondContact O-CD1 3.39Å; I368-Y372 PolarHBondContact O-N 2.68Å; I368-L390 HydrophobicContact CG2-CD2 4.09Å; I368-L490 HydrophobicContact CD1-CB 4.31Å; I368-L490 HydrophobicContact CD1-CD1 4.31Å; I368-L490 HydrophobicContact CG1-CB 4.43Å; I368-L490 HydrophobicContact CG1-CD1 4.07Å; I368-L490 HydrophobicContact CG2-CD1 4.08Å; I368-L494 HydrophobicContact CD1-CD2 3.74Å; I368-F499 HydrophobicContact CG2-CZ 4.28Å
369	R	98.3	Very high	96.8	Very high	15 Å²	15	62.5 Å²	62.5	6%	0.057	31%	0.31	C	S	.	.	H	α-helix	trans	-67.2	-37.7	176.1	-71	171.8	166.9	156.2	5.5	113.3	I365 D366 K367 Y372 R373 D394	I365-R369 HydrophobicContact CD1-CG 4.48Å; I365-R369 HydrophobicContact CG1-CG 4.31Å; I365-R369 VanDerWaalsContact CG1-CZ 3.44Å; I365-R369 WeakPolarHBondContact O-CB 3.26Å; I365-R369 WeakPolarHBondContact O-CG 3.49Å; I365-R369 PolarHBondContact O-N 3.02Å; D366-R369 PolarHBondContact O-N 2.86Å; D366-R369 IonicContact OD1-NH1 3.1Å; D366-R369 PolarHBondContact OD1-NH1 3.35Å; K367-R369 PolarHBondContact O-N 2.66Å; R369-Y372 VanDerWaalsContact CA-CE1 3.42Å; R369-Y372 HydrophobicContact CB-CE1 4.01Å; R369-Y372 HydrophobicContact CG-CE1 3.66Å; R369-Y372 WeakPolarHBondContact CG-OH 3.11Å; R369-R373 WeakPolarHBondContact O-CB 3.48Å; R369-R373 VanDerWaalsContact O-CD 3.24Å; R369-R373 WeakPolarHBondContact O-CD 3.14Å; R369-R373 WeakPolarHBondContact O-CG 2.99Å; R369-R373 PolarHBondContact O-N 3.34Å; R369-D394 IonicContact CZ-OD1 3.21Å; R369-D394 IonicContact CZ-OD2 3.54Å; R369-D394 IonicContact NE-OD1 2.79Å; R369-D394 PolarHBondContact NE-OD1 3.19Å; R369-D394 IonicContact NE-OD2 3.86Å; R369-D394 PolarHBondContact NE-OD2 3.02Å; R369-D394 IonicContact NH2-OD1 3.51Å; R369-D394 PolarHBondContact NH2-OD1 3.42Å; R369-D394 IonicContact NH2-OD2 3.75Å
370	A	98.1	Very high	96.9	Very high	52 Å²	52	66.2 Å²	66.2	43%	0.43	33%	0.328	S	S	.	.	H	α-helix	trans	-65.2	-46	173.1	0	0	0	0	0	110.7	D366 K367 R373 A374	D366-A370 PolarHBondContact O-N 3.25Å; K367-A370 WeakPolarHBondContact O-CA 3.44Å; K367-A370 WeakPolarHBondContact O-CB 3.39Å; K367-A370 PolarHBondContact O-N 3.3Å; A370-R373 PolarHBondContact O-N 3.01Å; A370-A374 PolarHBondContact O-N 3.4Å
371	D	97.4	Very high	97.1	Very high	54 Å²	54	65.9 Å²	65.9	29%	0.289	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-53.4	-177.9	-64	-17	0	0	0	111.4	K367 I368 R373 A374 D375	K367-D371 VanDerWaalsContact O-CG 3.26Å; K367-D371 PolarHBondContact O-N 2.95Å; I368-D371 PolarHBondContact O-N 3.49Å; D371-R373 PolarHBondContact O-N 2.99Å; D371-A374 WeakPolarHBondContact O-CB 3.29Å; D371-A374 PolarHBondContact O-N 2.92Å; D371-A374 VanDerWaalsContact O-N 3.13Å; D371-D375 PolarHBondContact O-N 3.02Å
372	Y	97.7	Very high	97.2	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-65.8	-27.8	179.7	72.5	-125.3	0	0	0	112.5	I368 R369 D375 F376 A387 L390 Y391 D394	I368-Y372 HydrophobicContact CG2-CD1 4.24Å; I368-Y372 WeakPolarHBondContact O-CD1 3.39Å; I368-Y372 PolarHBondContact O-N 2.68Å; R369-Y372 VanDerWaalsContact CA-CE1 3.42Å; R369-Y372 HydrophobicContact CB-CE1 4.01Å; R369-Y372 HydrophobicContact CG-CE1 3.66Å; R369-Y372 WeakPolarHBondContact CG-OH 3.11Å; Y372-D375 PolarHBondContact O-N 2.92Å; Y372-F376 HydrophobicContact CD2-CE1 4.01Å; Y372-F376 HydrophobicContact CD2-CE2 4.47Å; Y372-F376 AromaticContact CD2-CZ 3.69Å; Y372-F376 HydrophobicContact CD2-CZ 3.69Å; Y372-F376 AromaticContact CE2-CZ 3.99Å; Y372-F376 HydrophobicContact CE2-CZ 3.99Å; Y372-F376 WeakPolarHBondContact O-CD1 3.42Å; Y372-F376 VanDerWaalsContact O-CE1 3.3Å; Y372-F376 WeakPolarHBondContact O-CE1 3.44Å; Y372-F376 PolarHBondContact O-N 2.66Å; Y372-A387 WeakPolarHBondContact O-CB 3.37Å; Y372-L390 HydrophobicContact CD1-CD2 3.96Å; Y372-L390 HydrophobicContact CD1-CG 4.02Å; Y372-Y391 HydrophobicContact CE2-CD2 4.03Å; Y372-D394 HydrophobicContact CE1-CB 4.42Å; Y372-D394 PolarHBondContact OH-OD2 2.65Å
373	R	98.4	Very high	97.3	Very high	134 Å²	134	71.3 Å²	71.3	51%	0.506	34%	0.341	S	S	.	.	H	α-helix	trans	-71.2	-35.4	176.2	-76.6	171.1	-168.3	162.7	1.7	111.6	R369 A370 D371 F376	R369-R373 WeakPolarHBondContact O-CB 3.48Å; R369-R373 VanDerWaalsContact O-CD 3.24Å; R369-R373 WeakPolarHBondContact O-CD 3.14Å; R369-R373 WeakPolarHBondContact O-CG 2.99Å; R369-R373 PolarHBondContact O-N 3.34Å; A370-R373 PolarHBondContact O-N 3.01Å; D371-R373 PolarHBondContact O-N 2.99Å; R373-F376 HydrophobicContact CB-CD2 4.4Å; R373-F376 HydrophobicContact CB-CE2 4.27Å; R373-F376 HydrophobicContact CG-CD2 4.49Å; R373-F376 HydrophobicContact CG-CE2 3.9Å; R373-F376 HydrophobicContact CG-CZ 4.44Å; R373-F376 WeakPolarHBondContact O-CB 3.49Å; R373-F376 WeakPolarHBondContact O-CD2 3.44Å
374	A	98.1	Very high	97.6	Very high	65 Å²	65	67.6 Å²	67.6	54%	0.537	32%	0.323	S	S	.	.	H	α-helix	trans	-65.1	-44.5	171.1	0	0	0	0	0	110.3	A370 D371 F376 K377	A370-A374 PolarHBondContact O-N 3.4Å; D371-A374 WeakPolarHBondContact O-CB 3.29Å; D371-A374 PolarHBondContact O-N 2.92Å; D371-A374 VanDerWaalsContact O-N 3.13Å; A374-F376 PolarHBondContact O-N 2.99Å; A374-F376 VanDerWaalsContact O-N 3.1Å; A374-K377 PolarHBondContact O-N 2.91Å
375	D	98.2	Very high	97.7	Very high	26 Å²	26	65.4 Å²	65.4	14%	0.139	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-20	179.9	-80.6	-4.2	0	0	0	114	D371 Y372 K377 H378 I383 R386 A387	D371-D375 PolarHBondContact O-N 3.02Å; Y372-D375 PolarHBondContact O-N 2.92Å; D375-K377 PolarHBondContact O-N 3.09Å; D375-H378 VanDerWaalsContact O-CB 3.28Å; D375-H378 WeakPolarHBondContact O-CB 3.12Å; D375-H378 PolarHBondContact O-N 3.49Å; D375-I383 HydrophobicContact CB-CG2 3.68Å; D375-I383 WeakPolarHBondContact OD2-CG2 3.35Å; D375-R386 IonicContact OD2-CZ 3.86Å; D375-R386 IonicContact OD2-NH2 2.65Å; D375-R386 PolarHBondContact OD2-NH2 3.43Å; D375-A387 HydrophobicContact CB-CB 3.52Å
376	F	98.4	Very high	97.8	Very high	10 Å²	10	67.4 Å²	67.4	4%	0.044	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.4	171.1	-63.1	-21.2	0	0	0	113.3	Y372 R373 A374 A387 V388 Y391 R456 V457 N460	Y372-F376 HydrophobicContact CD2-CE1 4.01Å; Y372-F376 HydrophobicContact CD2-CE2 4.47Å; Y372-F376 AromaticContact CD2-CZ 3.69Å; Y372-F376 HydrophobicContact CD2-CZ 3.69Å; Y372-F376 AromaticContact CE2-CZ 3.99Å; Y372-F376 HydrophobicContact CE2-CZ 3.99Å; Y372-F376 WeakPolarHBondContact O-CD1 3.42Å; Y372-F376 VanDerWaalsContact O-CE1 3.3Å; Y372-F376 WeakPolarHBondContact O-CE1 3.44Å; Y372-F376 PolarHBondContact O-N 2.66Å; R373-F376 HydrophobicContact CB-CD2 4.4Å; R373-F376 HydrophobicContact CB-CE2 4.27Å; R373-F376 HydrophobicContact CG-CD2 4.49Å; R373-F376 HydrophobicContact CG-CE2 3.9Å; R373-F376 HydrophobicContact CG-CZ 4.44Å; R373-F376 WeakPolarHBondContact O-CB 3.49Å; R373-F376 WeakPolarHBondContact O-CD2 3.44Å; A374-F376 PolarHBondContact O-N 2.99Å; A374-F376 VanDerWaalsContact O-N 3.1Å; F376-A387 HydrophobicContact CD1-CB 3.84Å; F376-A387 HydrophobicContact CE1-CB 4.03Å; F376-V388 HydrophobicContact CD1-CG2 4.13Å; F376-V388 HydrophobicContact CE1-CG2 4.2Å; F376-Y391 HydrophobicContact CZ-CD2 4.18Å; F376-Y391 HydrophobicContact CZ-CG 4.05Å; F376-R456 HydrophobicContact CB-CB 4.35Å; F376-R456 HydrophobicContact CD2-CB 4.48Å; F376-V457 HydrophobicContact CD2-CG2 4.07Å; F376-V457 HydrophobicContact CE1-CG2 4.05Å; F376-V457 HydrophobicContact CE2-CG2 3.55Å; F376-V457 HydrophobicContact CZ-CG2 3.55Å; F376-N460 PolarHBondContact O-ND2 2.86Å
377	K	97.7	Very high	97.9	Very high	134 Å²	134	62.2 Å²	62.2	58%	0.583	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	2.2	179	-60.1	178.1	-172.7	171.2	0	113.2	A374 D375	A374-K377 PolarHBondContact O-N 2.91Å; D375-K377 PolarHBondContact O-N 3.09Å
378	H	98	Very high	98	Very high	65 Å²	65	55.3 Å²	55.3	30%	0.301	26%	0.26	S	S	.	.			trans	-56.8	150.7	-174.7	-164.8	-89.2	0	0	0	112.2	D375 E380 I383 R384	D375-H378 VanDerWaalsContact O-CB 3.28Å; D375-H378 WeakPolarHBondContact O-CB 3.12Å; D375-H378 PolarHBondContact O-N 3.49Å; H378-E380 PolarHBondContact ND1-N 3.42Å; H378-I383 HydrophobicContact CB-CB 4.06Å; H378-I383 HydrophobicContact CB-CG2 3.52Å; H378-I383 WeakPolarHBondContact CE1-CD1 3.36Å; H378-I383 VanDerWaalsContact CG-CG2 3.48Å; H378-I383 WeakPolarHBondContact ND1-CD1 3.04Å; H378-R384 HydrophobicContact CB-CG 4.45Å; H378-R384 PolarHBondContact O-NE 3.08Å; H378-R384 PolarHBondContact O-NH2 3.18Å
379	K	97.7	Very high	98	Very high	205 Å²	205	55.1 Å²	55.1	89%	0.891	26%	0.259	S	S	*	.	S	Bend	trans	-68.4	-40.2	-178.9	-67.2	-177	-178.9	178	0	112
380	E	97.6	Very high	98	Very high	81 Å²	81	54.4 Å²	54.4	38%	0.379	26%	0.256	S	S	.	.	S	Bend	trans	-78.4	135	179.6	-60.3	-177.4	-179.8	0	0	113.6	H378 R382 I383 R384	H378-E380 PolarHBondContact ND1-N 3.42Å; E380-R382 HydrophobicContact CB-CG 4.42Å; E380-R382 PolarHBondContact O-N 3.4Å; E380-R382 IonicContact OE1-NH2 2.68Å; E380-R382 IonicContact OE2-CZ 3.88Å; E380-R382 IonicContact OE2-NE 3.17Å; E380-R382 PolarHBondContact OE2-NE 2.81Å; E380-R382 IonicContact OE2-NH2 3.13Å; E380-R382 PolarHBondContact OE2-NH2 3.06Å; E380-I383 HydrophobicContact CB-CD1 4.35Å; E380-I383 PolarHBondContact O-N 3.49Å; E380-R384 PolarHBondContact O-N 2.89Å
381	M	97.4	Very high	98	Very high	47 Å²	47	52.9 Å²	52.9	23%	0.232	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-42.2	179.3	-173.8	60	70.9	0	0	113.3	I383 R384 Q385 L463 F464	M381-I383 PolarHBondContact O-N 3.05Å; M381-R384 PolarHBondContact O-N 3.41Å; M381-R384 VanDerWaalsContact O-N 3.11Å; M381-Q385 HydrophobicContact CG-CG 4.29Å; M381-Q385 PolarHBondContact O-N 3.21Å; M381-Q385 HydrophobicContact SD-CG 4.37Å; M381-L463 HydrophobicContact CE-CD2 3.69Å; M381-L463 HydrophobicContact CE-CG 3.94Å; M381-F464 HydrophobicContact SD-CD1 3.58Å; M381-F464 VanDerWaalsContact SD-CD1 3.58Å; M381-F464 HydrophobicContact SD-CE1 3.41Å; M381-F464 WeakPolarHBondContact SD-CE1 3.33Å
382	R	97.5	Very high	98.1	Very high	147 Å²	147	50.3 Å²	50.3	56%	0.555	23%	0.226	S	C	*	.	H	α-helix	trans	-57.4	-38.9	-178.2	70.5	-179.6	174.3	171.3	-4.5	112.1	E380 Q385 R386 R477	E380-R382 HydrophobicContact CB-CG 4.42Å; E380-R382 PolarHBondContact O-N 3.4Å; E380-R382 IonicContact OE1-NH2 2.68Å; E380-R382 IonicContact OE2-CZ 3.88Å; E380-R382 IonicContact OE2-NE 3.17Å; E380-R382 PolarHBondContact OE2-NE 2.81Å; E380-R382 IonicContact OE2-NH2 3.13Å; E380-R382 PolarHBondContact OE2-NH2 3.06Å; R382-Q385 PolarHBondContact O-N 3.27Å; R382-R386 WeakPolarHBondContact O-CB 3.48Å; R382-R386 PolarHBondContact O-N 3.5Å; R382-R477 HydrophobicContact CB-CB 4.16Å
383	I	98	Very high	98.1	Very high	21 Å²	21	50.3 Å²	50.3	11%	0.108	23%	0.226	C	C	.	.	H	α-helix	trans	-70.9	-41.4	179.3	-72.1	167.6	0	0	0	110.4	D375 H378 E380 M381 Q385 R386 A387	D375-I383 HydrophobicContact CB-CG2 3.68Å; D375-I383 WeakPolarHBondContact OD2-CG2 3.35Å; H378-I383 HydrophobicContact CB-CB 4.06Å; H378-I383 HydrophobicContact CB-CG2 3.52Å; H378-I383 WeakPolarHBondContact CE1-CD1 3.36Å; H378-I383 VanDerWaalsContact CG-CG2 3.48Å; H378-I383 WeakPolarHBondContact ND1-CD1 3.04Å; E380-I383 HydrophobicContact CB-CD1 4.35Å; E380-I383 PolarHBondContact O-N 3.49Å; M381-I383 PolarHBondContact O-N 3.05Å; I383-Q385 PolarHBondContact O-N 3.42Å; I383-R386 PolarHBondContact O-N 3.38Å; I383-A387 VanDerWaalsContact O-CB 3.29Å; I383-A387 WeakPolarHBondContact O-CB 3.46Å; I383-A387 PolarHBondContact O-N 2.89Å
384	R	98.3	Very high	98.1	Very high	58 Å²	58	44.1 Å²	44.1	22%	0.219	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-44.4	173.7	-65.8	-169.2	-174.1	176.7	10.5	112.3	H378 E380 M381 A387 V388 F464	H378-R384 HydrophobicContact CB-CG 4.45Å; H378-R384 PolarHBondContact O-NE 3.08Å; H378-R384 PolarHBondContact O-NH2 3.18Å; E380-R384 PolarHBondContact O-N 2.89Å; M381-R384 PolarHBondContact O-N 3.41Å; M381-R384 VanDerWaalsContact O-N 3.11Å; R384-A387 PolarHBondContact O-N 3.02Å; R384-V388 WeakPolarHBondContact O-CG2 3.42Å; R384-V388 PolarHBondContact O-N 2.81Å; R384-F464 HydrophobicContact CB-CE1 4.09Å; R384-F464 HydrophobicContact CB-CZ 3.96Å
385	Q	98.4	Very high	98	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-49.3	178.5	-73.9	-174.3	0.2	0	0	111.2	M381 R382 I383 A387 V388 A389 F464 F475 D476	M381-Q385 HydrophobicContact CG-CG 4.29Å; M381-Q385 PolarHBondContact O-N 3.21Å; M381-Q385 HydrophobicContact SD-CG 4.37Å; R382-Q385 PolarHBondContact O-N 3.27Å; I383-Q385 PolarHBondContact O-N 3.42Å; Q385-A387 VanDerWaalsContact C-N 3.32Å; Q385-A387 PolarHBondContact O-N 3.31Å; Q385-V388 PolarHBondContact O-N 3.16Å; Q385-A389 WeakPolarHBondContact O-CB 3.36Å; Q385-A389 PolarHBondContact O-N 3.44Å; Q385-F464 HydrophobicContact CB-CZ 4.43Å; Q385-F464 HydrophobicContact CG-CD1 3.95Å; Q385-F464 HydrophobicContact CG-CD2 4.35Å; Q385-F464 HydrophobicContact CG-CE1 3.74Å; Q385-F464 HydrophobicContact CG-CE2 4.14Å; Q385-F464 HydrophobicContact CG-CG 4.27Å; Q385-F464 HydrophobicContact CG-CZ 3.82Å; Q385-F475 HydrophobicContact CB-CD1 3.83Å; Q385-F475 HydrophobicContact CG-CD1 4.05Å; Q385-D476 PolarHBondContact NE2-OD1 2.93Å
386	R	98.2	Very high	97.9	Very high	42 Å²	42	43.9 Å²	43.9	16%	0.158	19%	0.189	C	C	.	.	H	α-helix	trans	-53.4	-47.9	173.6	-177.1	-172.2	70.5	-171.1	0.5	111.9	D375 R382 I383 A389 L390 L478 L483 Y486	D375-R386 IonicContact OD2-CZ 3.86Å; D375-R386 IonicContact OD2-NH2 2.65Å; D375-R386 PolarHBondContact OD2-NH2 3.43Å; R382-R386 WeakPolarHBondContact O-CB 3.48Å; R382-R386 PolarHBondContact O-N 3.5Å; I383-R386 PolarHBondContact O-N 3.38Å; R386-A389 PolarHBondContact O-N 3.03Å; R386-L390 WeakPolarHBondContact O-CB 3.5Å; R386-L390 PolarHBondContact O-N 3.46Å; R386-L478 HydrophobicContact CB-CD1 3.97Å; R386-L478 HydrophobicContact CG-CD1 4.21Å; R386-L483 HydrophobicContact CG-CD1 4.09Å; R386-Y486 HydrophobicContact CG-CD1 4.18Å; R386-Y486 VanDerWaalsContact CZ-CD2 3.47Å; R386-Y486 VanDerWaalsContact CZ-CE2 3.4Å
387	A	98.4	Very high	97.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-64.5	-43.1	-178.6	0	0	0	0	0	112.7	Y372 D375 F376 I383 R384 Q385 L390 Y391	Y372-A387 WeakPolarHBondContact O-CB 3.37Å; D375-A387 HydrophobicContact CB-CB 3.52Å; F376-A387 HydrophobicContact CD1-CB 3.84Å; F376-A387 HydrophobicContact CE1-CB 4.03Å; I383-A387 VanDerWaalsContact O-CB 3.29Å; I383-A387 WeakPolarHBondContact O-CB 3.46Å; I383-A387 PolarHBondContact O-N 2.89Å; R384-A387 PolarHBondContact O-N 3.02Å; Q385-A387 VanDerWaalsContact C-N 3.32Å; Q385-A387 PolarHBondContact O-N 3.31Å; A387-L390 PolarHBondContact O-N 3.41Å; A387-Y391 WeakPolarHBondContact O-CB 3.44Å; A387-Y391 PolarHBondContact O-N 2.65Å
388	V	98.5	Very high	97.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.5	-41.2	176.6	171.3	0	0	0	0	111.4	F376 R384 Q385 Y391 F392 V457 N460 V461 F464 F475	F376-V388 HydrophobicContact CD1-CG2 4.13Å; F376-V388 HydrophobicContact CE1-CG2 4.2Å; R384-V388 WeakPolarHBondContact O-CG2 3.42Å; R384-V388 PolarHBondContact O-N 2.81Å; Q385-V388 PolarHBondContact O-N 3.16Å; V388-Y391 WeakPolarHBondContact O-CB 3.41Å; V388-Y391 PolarHBondContact O-N 3.37Å; V388-F392 HydrophobicContact CG1-CD2 4.27Å; V388-F392 HydrophobicContact CG1-CE1 4.24Å; V388-F392 HydrophobicContact CG1-CE2 3.75Å; V388-F392 HydrophobicContact CG1-CZ 3.73Å; V388-F392 WeakPolarHBondContact O-CG 3.46Å; V388-F392 PolarHBondContact O-N 2.93Å; V388-V457 HydrophobicContact CG1-CG1 4.01Å; V388-V457 HydrophobicContact CG2-CG1 4.41Å; V388-N460 HydrophobicContact CG2-CB 4.08Å; V388-V461 HydrophobicContact CG1-CG2 4.03Å; V388-F464 HydrophobicContact CB-CE2 3.82Å; V388-F464 HydrophobicContact CB-CZ 4.37Å; V388-F464 HydrophobicContact CG1-CE2 4Å; V388-F464 HydrophobicContact CG2-CE2 3.81Å; V388-F464 HydrophobicContact CG2-CZ 4.01Å; V388-F475 HydrophobicContact CB-CE1 4.19Å; V388-F475 HydrophobicContact CG1-CE1 3.97Å; V388-F475 HydrophobicContact CG1-CZ 4.09Å
389	A	98.4	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.6	-44.5	174.5	0	0	0	0	0	111.6	Q385 R386 Y391 F392 I393 C414 F475 L478	Q385-A389 WeakPolarHBondContact O-CB 3.36Å; Q385-A389 PolarHBondContact O-N 3.44Å; R386-A389 PolarHBondContact O-N 3.03Å; A389-Y391 VanDerWaalsContact C-N 3.32Å; A389-Y391 PolarHBondContact O-N 2.98Å; A389-F392 PolarHBondContact O-N 3.38Å; A389-I393 WeakPolarHBondContact O-CG1 3.1Å; A389-I393 PolarHBondContact O-N 2.87Å; A389-C414 PolarHBondContact O-SG 3.14Å; A389-F475 HydrophobicContact CB-CD2 4.37Å; A389-F475 HydrophobicContact CB-CE1 4.24Å; A389-F475 HydrophobicContact CB-CE2 4.01Å; A389-F475 HydrophobicContact CB-CZ 3.93Å; A389-L478 HydrophobicContact CB-CD2 3.38Å
390	L	98.2	Very high	97.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.1	-38.4	175.6	-175.4	55.1	0	0	0	112	I368 Y372 R386 A387 I393 D394 L483 Y486 L487 F499	I368-L390 HydrophobicContact CG2-CD2 4.09Å; Y372-L390 HydrophobicContact CD1-CD2 3.96Å; Y372-L390 HydrophobicContact CD1-CG 4.02Å; R386-L390 WeakPolarHBondContact O-CB 3.5Å; R386-L390 PolarHBondContact O-N 3.46Å; A387-L390 PolarHBondContact O-N 3.41Å; L390-I393 PolarHBondContact O-N 2.74Å; L390-D394 WeakPolarHBondContact O-CB 3.39Å; L390-D394 PolarHBondContact O-N 3.05Å; L390-L483 HydrophobicContact CB-CD1 4.43Å; L390-Y486 HydrophobicContact CD2-CE1 4.08Å; L390-L487 HydrophobicContact CD1-CD2 3.84Å; L390-L487 HydrophobicContact CD2-CD2 4.02Å; L390-F499 HydrophobicContact CD1-CD2 4.42Å; L390-F499 HydrophobicContact CD1-CE1 4.18Å; L390-F499 HydrophobicContact CD1-CE2 3.84Å; L390-F499 HydrophobicContact CD1-CZ 3.71Å
391	Y	98.4	Very high	97.2	Very high	20 Å²	20	26.3 Å²	26.3	8%	0.078	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-44	172.5	166.4	-98.3	0	0	0	112.2	Y372 F376 A387 V388 A389 D394 K395 V453 P454 V457	Y372-Y391 HydrophobicContact CE2-CD2 4.03Å; F376-Y391 HydrophobicContact CZ-CD2 4.18Å; F376-Y391 HydrophobicContact CZ-CG 4.05Å; A387-Y391 WeakPolarHBondContact O-CB 3.44Å; A387-Y391 PolarHBondContact O-N 2.65Å; V388-Y391 WeakPolarHBondContact O-CB 3.41Å; V388-Y391 PolarHBondContact O-N 3.37Å; A389-Y391 VanDerWaalsContact C-N 3.32Å; A389-Y391 PolarHBondContact O-N 2.98Å; Y391-D394 PolarHBondContact O-N 3.17Å; Y391-K395 HydrophobicContact CD2-CG 3.71Å; Y391-K395 HydrophobicContact CE2-CB 4.25Å; Y391-K395 HydrophobicContact CE2-CG 3.4Å; Y391-K395 VanDerWaalsContact CE2-CG 3.4Å; Y391-K395 WeakPolarHBondContact O-CB 3.5Å; Y391-K395 PolarHBondContact O-N 3.11Å; Y391-V453 HydrophobicContact CE1-CB 4.24Å; Y391-V453 HydrophobicContact CE1-CG1 4.06Å; Y391-P454 HydrophobicContact CE2-CG 4.35Å; Y391-P454 WeakPolarHBondContact OH-CD 3.48Å; Y391-V457 HydrophobicContact CD1-CG1 3.98Å; Y391-V457 HydrophobicContact CD1-CG2 4.03Å; Y391-V457 HydrophobicContact CE1-CG1 3.98Å; Y391-V457 HydrophobicContact CE1-CG2 4.14Å; Y391-V457 HydrophobicContact CG-CG2 4.38Å
392	F	98.1	Very high	96.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65	-39.1	175.3	-66.2	-22.1	0	0	0	112.2	V388 A389 L396 L398 F437 V457 V461 F475	V388-F392 HydrophobicContact CG1-CD2 4.27Å; V388-F392 HydrophobicContact CG1-CE1 4.24Å; V388-F392 HydrophobicContact CG1-CE2 3.75Å; V388-F392 HydrophobicContact CG1-CZ 3.73Å; V388-F392 WeakPolarHBondContact O-CG 3.46Å; V388-F392 PolarHBondContact O-N 2.93Å; A389-F392 PolarHBondContact O-N 3.38Å; F392-L396 HydrophobicContact CD1-CD1 4.21Å; F392-L396 WeakPolarHBondContact O-CA 3.16Å; F392-L396 VanDerWaalsContact O-CB 3.23Å; F392-L396 WeakPolarHBondContact O-CB 3.33Å; F392-L396 PolarHBondContact O-N 3.05Å; F392-L398 HydrophobicContact CB-CD1 4.05Å; F392-F437 HydrophobicContact CD1-CZ 4.12Å; F392-F437 HydrophobicContact CD2-CE1 4.22Å; F392-F437 HydrophobicContact CD2-CZ 4.29Å; F392-F437 AromaticContact CE1-CZ 3.87Å; F392-F437 HydrophobicContact CE1-CZ 3.87Å; F392-F437 HydrophobicContact CE2-CE1 4.08Å; F392-F437 HydrophobicContact CE2-CZ 4.03Å; F392-F437 HydrophobicContact CG-CZ 4.35Å; F392-F437 HydrophobicContact CZ-CE1 4.33Å; F392-F437 AromaticContact CZ-CZ 3.82Å; F392-F437 HydrophobicContact CZ-CZ 3.82Å; F392-V457 HydrophobicContact CE1-CG1 3.94Å; F392-V457 HydrophobicContact CZ-CG1 4.25Å; F392-V461 HydrophobicContact CE2-CG2 4.49Å; F392-V461 HydrophobicContact CZ-CG2 3.91Å; F392-F475 HydrophobicContact CD2-CE2 4.44Å; F392-F475 AromaticContact CD2-CZ 3.95Å; F392-F475 HydrophobicContact CD2-CZ 3.95Å; F392-F475 AromaticContact CE2-CZ 3.91Å; F392-F475 HydrophobicContact CE2-CZ 3.91Å
393	I	97.9	Very high	96.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.8	-45	175	-69	164.4	0	0	0	111.3	A389 L390 A397 C414 L483 A496 F499	A389-I393 WeakPolarHBondContact O-CG1 3.1Å; A389-I393 PolarHBondContact O-N 2.87Å; L390-I393 PolarHBondContact O-N 2.74Å; I393-A397 VanDerWaalsContact O-CA 3.27Å; I393-A397 WeakPolarHBondContact O-CA 3.37Å; I393-A397 PolarHBondContact O-N 3.31Å; I393-C414 HydrophobicContact CD1-CB 4.05Å; I393-C414 HydrophobicContact CG1-CB 3.78Å; I393-L483 HydrophobicContact CD1-CD2 3.42Å; I393-L483 VanDerWaalsContact CD1-CD2 3.42Å; I393-A496 HydrophobicContact CD1-CB 4.08Å; I393-A496 HydrophobicContact CG2-CB 4.48Å; I393-F499 HydrophobicContact CG2-CB 3.77Å; I393-F499 HydrophobicContact CG2-CD2 4.35Å; I393-F499 HydrophobicContact CG2-CG 4.07Å
394	D	97.9	Very high	95.7	Very high	3 Å²	3	28 Å²	28	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-66.8	-46.3	178.4	174.9	34.8	0	0	0	112	R369 Y372 L390 Y391 F499 N503	R369-D394 IonicContact CZ-OD1 3.21Å; R369-D394 IonicContact CZ-OD2 3.54Å; R369-D394 IonicContact NE-OD1 2.79Å; R369-D394 PolarHBondContact NE-OD1 3.19Å; R369-D394 IonicContact NE-OD2 3.86Å; R369-D394 PolarHBondContact NE-OD2 3.02Å; R369-D394 IonicContact NH2-OD1 3.51Å; R369-D394 PolarHBondContact NH2-OD1 3.42Å; R369-D394 IonicContact NH2-OD2 3.75Å; Y372-D394 HydrophobicContact CE1-CB 4.42Å; Y372-D394 PolarHBondContact OH-OD2 2.65Å; L390-D394 WeakPolarHBondContact O-CB 3.39Å; L390-D394 PolarHBondContact O-N 3.05Å; Y391-D394 PolarHBondContact O-N 3.17Å; D394-F499 HydrophobicContact CB-CD1 3.94Å; D394-F499 HydrophobicContact CB-CE1 4.16Å; D394-N503 PolarHBondContact O-ND2 2.85Å
395	K	95.9	Very high	95.1	Very high	72 Å²	72	29.2 Å²	29.2	31%	0.313	14%	0.142	S	C	.	.	H	α-helix	trans	-89	-32.6	-172.4	-62.8	-49.8	-178.9	-168.3	0	114.9	Y391	Y391-K395 HydrophobicContact CD2-CG 3.71Å; Y391-K395 HydrophobicContact CE2-CB 4.25Å; Y391-K395 HydrophobicContact CE2-CG 3.4Å; Y391-K395 VanDerWaalsContact CE2-CG 3.4Å; Y391-K395 WeakPolarHBondContact O-CB 3.5Å; Y391-K395 PolarHBondContact O-N 3.11Å
396	L	96	Very high	94.4	Very high	14 Å²	14	38.6 Å²	38.6	7%	0.073	19%	0.186	C	C	.	.	H	α-helix	trans	-109.1	1	-175.1	-52.1	-178.1	0	0	0	112.9	F392 L398 F437 V451	F392-L396 HydrophobicContact CD1-CD1 4.21Å; F392-L396 WeakPolarHBondContact O-CA 3.16Å; F392-L396 VanDerWaalsContact O-CB 3.23Å; F392-L396 WeakPolarHBondContact O-CB 3.33Å; F392-L396 PolarHBondContact O-N 3.05Å; L396-L398 HydrophobicContact CB-CD2 4.22Å; L396-L398 HydrophobicContact CB-CG 3.98Å; L396-L398 PolarHBondContact O-N 2.86Å; L396-L398 VanDerWaalsContact O-N 3.11Å; L396-F437 HydrophobicContact CD1-CD2 4.36Å; L396-F437 HydrophobicContact CD1-CE1 4.35Å; L396-F437 HydrophobicContact CD1-CE2 3.65Å; L396-F437 HydrophobicContact CD1-CZ 3.65Å; L396-V451 HydrophobicContact CD2-CB 4.41Å; L396-V451 HydrophobicContact CD2-CG1 4.07Å; L396-V451 HydrophobicContact CD2-CG2 3.82Å
397	A	96	Very high	93.9	Very high	5 Å²	5	39.3 Å²	39.3	4%	0.041	19%	0.193	C	C	.	.			trans	53.6	30.9	-178.9	0	0	0	0	0	113.6	I393 R500 L539	I393-A397 VanDerWaalsContact O-CA 3.27Å; I393-A397 WeakPolarHBondContact O-CA 3.37Å; I393-A397 PolarHBondContact O-N 3.31Å; A397-R500 HydrophobicContact CB-CG 4.37Å; A397-L539 HydrophobicContact CB-CD1 4.11Å; A397-L539 HydrophobicContact CB-CG 3.97Å
398	L	96.5	Very high	93.4	Very high	9 Å²	9	40 Å²	40	5%	0.047	20%	0.196	C	C	.	.			trans	-62.7	147	177	-61.4	-170.8	0	0	0	110.7	F392 L396 C414 L417 F439 Y447	F392-L398 HydrophobicContact CB-CD1 4.05Å; L396-L398 HydrophobicContact CB-CD2 4.22Å; L396-L398 HydrophobicContact CB-CG 3.98Å; L396-L398 PolarHBondContact O-N 2.86Å; L396-L398 VanDerWaalsContact O-N 3.11Å; L398-C414 HydrophobicContact CB-CB 3.97Å; L398-C414 HydrophobicContact CD1-CB 4.21Å; L398-L417 HydrophobicContact CD1-CD1 4.48Å; L398-F439 HydrophobicContact CD2-CZ 4.11Å; L398-Y447 HydrophobicContact CD2-CD2 4.2Å; L398-Y447 HydrophobicContact CD2-CE1 4.1Å; L398-Y447 HydrophobicContact CD2-CE2 3.76Å
399	R	96.1	Very high	93	Very high	76 Å²	76	40.3 Å²	40.3	29%	0.287	20%	0.199	S	C	.	.			trans	-71.4	152.6	170.2	-64.3	179.5	-176.3	79.1	-4.2	109.1	G401 C414 R500	R399-G401 VanDerWaalsContact C-N 3.32Å; R399-G401 PolarHBondContact O-N 2.9Å; R399-C414 WeakPolarHBondContact O-CB 3.38Å; R399-C414 PolarHBondContact O-N 3.12Å; R399-R500 VanDerWaalsContact CG-NH1 3.3Å; R399-R500 VanDerWaalsContact NH2-NH2 3.13Å
400	A	94.6	Very high	92.7	Very high	21 Å²	21	45 Å²	45	17%	0.174	22%	0.223	C	C	.	.			trans	-52	-46.5	-179.9	0	0	0	0	0	113.2	C414 C415 T480 A496	A400-C414 PolarHBondContact O-N 3.48Å; A400-C415 WeakPolarHBondContact O-CB 3.42Å; A400-C415 PolarHBondContact O-N 3.42Å; A400-C415 PolarHBondContact O-SG 3.44Å; A400-T480 HydrophobicContact CB-CG2 3.78Å; A400-A496 HydrophobicContact CB-CB 3.74Å
401	G	92	Very high	92.6	Very high	15 Å²	15	45.5 Å²	45.5	16%	0.155	23%	0.227	C	C	.	.			trans	80.7	81.8	179.9	0	0	0	0	0	112.2	R399 G413 T480	R399-G401 VanDerWaalsContact C-N 3.32Å; R399-G401 PolarHBondContact O-N 2.9Å; G401-G413 VanDerWaalsContact CA-CA 3.41Å; G401-T480 WeakPolarHBondContact O-CG2 3.48Å
402	N	90.5	Very high	92.5	Very high	54 Å²	54	45 Å²	45	29%	0.289	23%	0.226	S	C	.	.			trans	-72.8	147.3	170.6	-64.4	-25.2	0	0	0	109.1	T480	N402-T480 VanDerWaalsContact OD1-CB 3.28Å; N402-T480 WeakPolarHBondContact OD1-CB 3.48Å; N402-T480 VanDerWaalsContact OD1-CG2 3.28Å; N402-T480 WeakPolarHBondContact OD1-CG2 3.32Å; N402-T480 PolarHBondContact OD1-OG1 3.24Å
403	E	85.6	Confident	92.4	Very high	120 Å²	120	45.2 Å²	45.2	56%	0.561	23%	0.228	S	C	*	.			trans	-55.4	141	166.6	-70.1	161.7	-145.1	0	0	110.2
404	K	85.8	Confident	92.4	Very high	76 Å²	76	45.2 Å²	45.2	33%	0.33	23%	0.228	S	C	.	.			trans	-116.5	147.1	-180	-73	-173.5	155.7	-160.4	0	109.4	E408 A409 T411	K404-E408 HydrophobicContact CB-CB 4.42Å; K404-E408 HydrophobicContact CD-CB 4.33Å; K404-E408 WeakPolarHBondContact CE-OE2 3.2Å; K404-E408 IonicContact NZ-OE2 3.77Å; K404-A409 WeakPolarHBondContact CD-O 3.12Å; K404-A409 PolarHBondContact NZ-O 3.37Å; K404-T411 WeakPolarHBondContact CD-O 3.33Å; K404-T411 WeakPolarHBondContact CE-OG1 3.28Å; K404-T411 PolarHBondContact NZ-OG1 3.33Å
405	D	85.5	Confident	92.4	Very high	85 Å²	85	45.3 Å²	45.3	46%	0.455	23%	0.229	S	C	.	.			trans	-77.7	157.6	174.7	-55.2	-39.9	0	0	0	109.6	D407 E408	D405-D407 WeakPolarHBondContact CB-OD1 3.25Å; D405-D407 PolarHBondContact O-N 3.5Å; D405-E408 PolarHBondContact O-N 3.23Å; D405-E408 VanDerWaalsContact O-N 3.16Å
406	E	84.6	Confident	92.5	Very high	197 Å²	197	42.6 Å²	42.6	92%	0.921	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.9	-179.1	-64	-179.2	174.5	0	0	113.5	E408	E406-E408 VanDerWaalsContact C-N 3.28Å; E406-E408 PolarHBondContact O-N 3.39Å
407	D	86.5	Confident	92.6	Very high	58 Å²	58	41.9 Å²	41.9	31%	0.31	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	7.6	-177	83.4	-22.9	0	0	0	113.3	H278 P279 K280 D405	H278-D407 PolarHBondContact CE1-O 3.12Å; H278-D407 VanDerWaalsContact CE1-O 3.28Å; P279-D407 VanDerWaalsContact CG-C 3.41Å; P279-D407 WeakPolarHBondContact CG-O 3.39Å; K280-D407 VanDerWaalsContact CE-OD2 3.24Å; K280-D407 WeakPolarHBondContact CE-OD2 3.39Å; K280-D407 IonicContact NZ-OD2 3.9Å; K280-D407 PolarHBondContact NZ-OD2 3.27Å; D405-D407 WeakPolarHBondContact CB-OD1 3.25Å; D405-D407 PolarHBondContact O-N 3.5Å
408	E	87.8	Confident	92.7	Very high	15 Å²	15	43.2 Å²	43.2	7%	0.07	22%	0.219	C	C	.	.	S	Bend	trans	-112.4	163.4	175.2	-61.5	-175.7	-134.6	0	0	112.8	R37 P279 K404 D405 E406 D410	R37-E408 IonicContact CZ-OE1 2.67Å; R37-E408 IonicContact CZ-OE2 3.28Å; R37-E408 IonicContact NE-OE2 2.89Å; R37-E408 IonicContact NH1-OE1 3.95Å; R37-E408 PolarHBondContact NH1-OE1 2.64Å; R37-E408 IonicContact NH1-OE2 3.94Å; R37-E408 PolarHBondContact NH1-OE2 3.15Å; R37-E408 VanDerWaalsContact NH1-OE2 3.13Å; R37-E408 IonicContact NH2-OE1 2.77Å; R37-E408 PolarHBondContact NH2-OE1 3.36Å; R37-E408 IonicContact NH2-OE2 3.75Å; R37-E408 PolarHBondContact NH2-OE2 2.91Å; P279-E408 VanDerWaalsContact CD-C 3.44Å; P279-E408 WeakPolarHBondContact CD-O 3.38Å; K404-E408 HydrophobicContact CB-CB 4.42Å; K404-E408 HydrophobicContact CD-CB 4.33Å; K404-E408 WeakPolarHBondContact CE-OE2 3.2Å; K404-E408 IonicContact NZ-OE2 3.77Å; D405-E408 PolarHBondContact O-N 3.23Å; D405-E408 VanDerWaalsContact O-N 3.16Å; E406-E408 VanDerWaalsContact C-N 3.28Å; E406-E408 PolarHBondContact O-N 3.39Å; E408-D410 PolarHBondContact O-N 3.03Å
409	A	90.7	Very high	92.7	Very high	6 Å²	6	47 Å²	47	5%	0.05	23%	0.234	C	C	.	.			trans	-63.2	127.5	166.5	0	0	0	0	0	110.4	H278 K404 T411	H278-A409 HydrophobicContact CB-CB 4.23Å; K404-A409 WeakPolarHBondContact CD-O 3.12Å; K404-A409 PolarHBondContact NZ-O 3.37Å; A409-T411 HydrophobicContact CB-CG2 4.48Å; A409-T411 PolarHBondContact O-N 3.26Å
410	D	93	Very high	92.8	Very high	98 Å²	98	46.2 Å²	46.2	52%	0.524	23%	0.233	S	C	.	.			trans	-62.7	106.7	175.2	-178.2	23.2	0	0	0	110	E408 R418	E408-D410 PolarHBondContact O-N 3.03Å; D410-R418 IonicContact OD1-CZ 2.83Å; D410-R418 IonicContact OD1-NH1 4Å; D410-R418 PolarHBondContact OD1-NH1 2.86Å; D410-R418 IonicContact OD1-NH2 2.91Å; D410-R418 PolarHBondContact OD1-NH2 2.88Å; D410-R418 IonicContact OD2-CZ 2.87Å; D410-R418 IonicContact OD2-NH1 2.71Å; D410-R418 IonicContact OD2-NH2 2.66Å; D410-R418 PolarHBondContact OD2-NH2 3.42Å
411	T	95.2	Very high	92.9	Very high	12 Å²	12	46.1 Å²	46.1	7%	0.074	23%	0.229	C	C	.	.			trans	-146.1	141.7	175.9	72	0	0	0	0	108.6	K404 A409 L440 G441	K404-T411 WeakPolarHBondContact CD-O 3.33Å; K404-T411 WeakPolarHBondContact CE-OG1 3.28Å; K404-T411 PolarHBondContact NZ-OG1 3.33Å; A409-T411 HydrophobicContact CB-CG2 4.48Å; A409-T411 PolarHBondContact O-N 3.26Å; T411-L440 CarbonylContact C-O 3.6Å; T411-L440 WeakPolarHBondContact CA-O 3.46Å; T411-L440 WeakPolarHBondContact CB-O 3.47Å; T411-G441 VanDerWaalsContact CB-O 3.26Å; T411-G441 WeakPolarHBondContact CB-O 3.41Å; T411-G441 VanDerWaalsContact CG2-O 3.25Å; T411-G441 WeakPolarHBondContact CG2-O 3.36Å
412	V	96.3	Very high	93.2	Very high	8 Å²	8	46 Å²	46	5%	0.048	23%	0.225	C	C	.	.			trans	-115.3	160.2	-174.3	-60.2	0	0	0	0	112.6	S416 L417 F439 L440	V412-S416 WeakPolarHBondContact CA-OG 3.41Å; V412-S416 VanDerWaalsContact CB-O 3.32Å; V412-S416 WeakPolarHBondContact CB-O 3.39Å; V412-S416 WeakPolarHBondContact CB-OG 3.47Å; V412-S416 WeakPolarHBondContact CG1-O 3.46Å; V412-L417 HydrophobicContact CG2-CD2 4.05Å; V412-F439 HydrophobicContact CG2-CB 3.68Å; V412-F439 HydrophobicContact CG2-CD2 3.38Å; V412-F439 HydrophobicContact CG2-CE2 4.17Å; V412-F439 HydrophobicContact CG2-CG 3.71Å; V412-L440 PolarHBondContact N-O 3.04Å
413	G	96.7	Very high	93.5	Very high	5 Å²	5	49.3 Å²	49.3	5%	0.052	24%	0.237	C	C	.	.			trans	-125.9	-165.2	160.3	0	0	0	0	0	109.7	G401 C415 S416 L417	G401-G413 VanDerWaalsContact CA-CA 3.41Å; G413-C415 PolarHBondContact O-N 3.4Å; G413-S416 PolarHBondContact N-OG 2.92Å; G413-S416 CarbonylContact O-C 3.58Å; G413-S416 PolarHBondContact O-N 3.49Å; G413-S416 PolarHBondContact O-OG 3.48Å; G413-L417 WeakPolarHBondContact O-CG 3.08Å; G413-L417 PolarHBondContact O-N 3.25Å; G413-L417 VanDerWaalsContact O-N 3.1Å
414	C	97.8	Very high	94.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-56.2	-53.8	-169.2	-173.8	0	0	0	0	113.9	A389 I393 L398 R399 A400 S416 L417 F475	A389-C414 PolarHBondContact O-SG 3.14Å; I393-C414 HydrophobicContact CD1-CB 4.05Å; I393-C414 HydrophobicContact CG1-CB 3.78Å; L398-C414 HydrophobicContact CB-CB 3.97Å; L398-C414 HydrophobicContact CD1-CB 4.21Å; R399-C414 WeakPolarHBondContact O-CB 3.38Å; R399-C414 PolarHBondContact O-N 3.12Å; A400-C414 PolarHBondContact O-N 3.48Å; C414-S416 VanDerWaalsContact C-N 3.27Å; C414-S416 PolarHBondContact O-N 3.46Å; C414-L417 WeakPolarHBondContact O-CG 3.43Å; C414-L417 PolarHBondContact O-N 3.28Å; C414-F475 VanDerWaalsContact O-CD2 3.26Å; C414-F475 WeakPolarHBondContact O-CD2 3.37Å; C414-F475 WeakPolarHBondContact O-CE2 3.4Å
415	C	97.4	Very high	94.7	Very high	6 Å²	6	44.8 Å²	44.8	4%	0.041	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-25.9	-178.4	-64.9	0	0	0	0	113	A400 G413 T480	A400-C415 WeakPolarHBondContact O-CB 3.42Å; A400-C415 PolarHBondContact O-N 3.42Å; A400-C415 PolarHBondContact O-SG 3.44Å; G413-C415 PolarHBondContact O-N 3.4Å; C415-T480 HydrophobicContact CB-CG2 3.92Å
416	S	97.2	Very high	95.3	Very high	14 Å²	14	45.4 Å²	45.4	10%	0.098	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	18.7	-179	75.4	0	0	0	0	112.6	V412 G413 C414	V412-S416 WeakPolarHBondContact CA-OG 3.41Å; V412-S416 VanDerWaalsContact CB-O 3.32Å; V412-S416 WeakPolarHBondContact CB-O 3.39Å; V412-S416 WeakPolarHBondContact CB-OG 3.47Å; V412-S416 WeakPolarHBondContact CG1-O 3.46Å; G413-S416 PolarHBondContact N-OG 2.92Å; G413-S416 CarbonylContact O-C 3.58Å; G413-S416 PolarHBondContact O-N 3.49Å; G413-S416 PolarHBondContact O-OG 3.48Å; C414-S416 VanDerWaalsContact C-N 3.27Å; C414-S416 PolarHBondContact O-N 3.46Å
417	L	98	Very high	95.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.			trans	-63.9	148	171.6	-79	170.7	0	0	0	109	L398 V412 G413 C414 H421 I422 F437 F439 L474 F475	L398-L417 HydrophobicContact CD1-CD1 4.48Å; V412-L417 HydrophobicContact CG2-CD2 4.05Å; G413-L417 WeakPolarHBondContact O-CG 3.08Å; G413-L417 PolarHBondContact O-N 3.25Å; G413-L417 VanDerWaalsContact O-N 3.1Å; C414-L417 WeakPolarHBondContact O-CG 3.43Å; C414-L417 PolarHBondContact O-N 3.28Å; L417-H421 HydrophobicContact CD2-CB 3.9Å; L417-I422 HydrophobicContact CD1-CD1 4.37Å; L417-F437 HydrophobicContact CD1-CD1 4.48Å; L417-F437 HydrophobicContact CD1-CE1 4.25Å; L417-F439 HydrophobicContact CD2-CD1 3.72Å; L417-F439 HydrophobicContact CD2-CE1 3.88Å; L417-F439 HydrophobicContact CD2-CG 4.06Å; L417-F439 HydrophobicContact CD2-CZ 4.36Å; L417-L474 HydrophobicContact CB-CB 4.1Å; L417-L474 HydrophobicContact CB-CD2 4.01Å; L417-L474 HydrophobicContact CD1-CD2 4.23Å; L417-L474 WeakPolarHBondContact O-CB 3.36Å; L417-L474 PolarHBondContact O-N 3.47Å; L417-F475 HydrophobicContact CD1-CE2 4.37Å
418	R	98	Very high	96.3	Very high	32 Å²	32	42.2 Å²	42.2	12%	0.121	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-124.5	167.6	-176.9	-59	-173.2	-57.7	-106.4	3.4	110.1	D410 E420 H421 D472	D410-R418 IonicContact OD1-CZ 2.83Å; D410-R418 IonicContact OD1-NH1 4Å; D410-R418 PolarHBondContact OD1-NH1 2.86Å; D410-R418 IonicContact OD1-NH2 2.91Å; D410-R418 PolarHBondContact OD1-NH2 2.88Å; D410-R418 IonicContact OD2-CZ 2.87Å; D410-R418 IonicContact OD2-NH1 2.71Å; D410-R418 IonicContact OD2-NH2 2.66Å; D410-R418 PolarHBondContact OD2-NH2 3.42Å; R418-E420 VanDerWaalsContact C-N 3.3Å; R418-E420 IonicContact CZ-OE1 3.49Å; R418-E420 IonicContact NE-OE1 3.96Å; R418-E420 PolarHBondContact NE-OE1 3.3Å; R418-E420 IonicContact NH2-OE1 3.7Å; R418-E420 PolarHBondContact NH2-OE1 3.37Å; R418-E420 VanDerWaalsContact NH2-OE1 3.12Å; R418-E420 PolarHBondContact O-N 3.11Å; R418-H421 VanDerWaalsContact CZ-CE1 3.45Å; R418-H421 PolarHBondContact N-ND1 2.97Å; R418-H421 VanDerWaalsContact N-ND1 3.15Å; R418-H421 PolarHBondContact NH2-CE1 3Å; R418-H421 VanDerWaalsContact NH2-CE1 3.31Å; R418-H421 WeakPolarHBondContact O-CB 3.45Å; R418-H421 PolarHBondContact O-N 3.46Å; R418-H421 VanDerWaalsContact O-N 3.12Å; R418-D472 CarbonylContact C-O 3.52Å; R418-D472 VanDerWaalsContact CA-O 3.31Å; R418-D472 WeakPolarHBondContact CA-O 3.35Å; R418-D472 WeakPolarHBondContact CB-O 3.39Å
419	Y	97.8	Very high	96.6	Very high	90 Å²	90	48.4 Å²	48.4	35%	0.353	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-48	-49	-179	176.7	-91.3	0	0	0	112.9	H421 I422 L465 K468 K469 E470 D472	Y419-H421 PolarHBondContact O-N 2.88Å; Y419-H421 VanDerWaalsContact O-N 3.17Å; Y419-I422 PolarHBondContact O-N 3.38Å; Y419-L465 HydrophobicContact CD2-CB 4.35Å; Y419-L465 HydrophobicContact CD2-CD2 3.54Å; Y419-L465 HydrophobicContact CE2-CB 4.34Å; Y419-L465 HydrophobicContact CE2-CD2 4.15Å; Y419-L465 HydrophobicContact CG-CD2 4.24Å; Y419-K468 HydrophobicContact CD2-CB 3.9Å; Y419-K468 WeakPolarHBondContact CE2-O 3.43Å; Y419-K469 WeakPolarHBondContact CB-O 3.05Å; Y419-E470 HydrophobicContact CD1-CG 4.35Å; Y419-D472 PolarHBondContact N-O 3.46Å
420	E	97.4	Very high	96.8	Very high	58 Å²	58	50.7 Å²	50.7	27%	0.271	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-67.7	-16.6	-175	64.9	-85.2	-174.8	0	0	114.5	R418 I422 E470 N471	R418-E420 VanDerWaalsContact C-N 3.3Å; R418-E420 IonicContact CZ-OE1 3.49Å; R418-E420 IonicContact NE-OE1 3.96Å; R418-E420 PolarHBondContact NE-OE1 3.3Å; R418-E420 IonicContact NH2-OE1 3.7Å; R418-E420 PolarHBondContact NH2-OE1 3.37Å; R418-E420 VanDerWaalsContact NH2-OE1 3.12Å; R418-E420 PolarHBondContact O-N 3.11Å; E420-I422 VanDerWaalsContact C-N 3.32Å; E420-I422 PolarHBondContact O-N 3.39Å; E420-E470 HydrophobicContact CB-CG 4.32Å; E420-E470 WeakPolarHBondContact OE2-CA 3.5Å; E420-N471 PolarHBondContact OE2-N 3.18Å
421	H	98.2	Very high	96.9	Very high	20 Å²	20	51.1 Å²	51.1	9%	0.093	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-83.6	-8.6	-175.2	-62.8	132.2	0	0	0	114	L417 R418 Y419 F437 D438 F439	L417-H421 HydrophobicContact CD2-CB 3.9Å; R418-H421 VanDerWaalsContact CZ-CE1 3.45Å; R418-H421 PolarHBondContact N-ND1 2.97Å; R418-H421 VanDerWaalsContact N-ND1 3.15Å; R418-H421 PolarHBondContact NH2-CE1 3Å; R418-H421 VanDerWaalsContact NH2-CE1 3.31Å; R418-H421 WeakPolarHBondContact O-CB 3.45Å; R418-H421 PolarHBondContact O-N 3.46Å; R418-H421 VanDerWaalsContact O-N 3.12Å; Y419-H421 PolarHBondContact O-N 2.88Å; Y419-H421 VanDerWaalsContact O-N 3.17Å; H421-F437 WeakPolarHBondContact O-CA 3.49Å; H421-D438 WeakPolarHBondContact CA-O 3.35Å; H421-D438 PolarHBondContact CD2-O 3.32Å; H421-D438 PolarHBondContact O-N 3.35Å; H421-F439 HydrophobicContact CB-CB 4.04Å; H421-F439 WeakPolarHBondContact CD2-CB 3.29Å
422	I	97.6	Very high	97.1	Very high	11 Å²	11	53.4 Å²	53.4	6%	0.056	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.5	-173.8	-58.4	-63.7	0	0	0	110.9	L417 Y419 E420 L424 V435 E436 F437 V461 L465 L474	L417-I422 HydrophobicContact CD1-CD1 4.37Å; Y419-I422 PolarHBondContact O-N 3.38Å; E420-I422 VanDerWaalsContact C-N 3.32Å; E420-I422 PolarHBondContact O-N 3.39Å; I422-L424 HydrophobicContact CG2-CD2 4.04Å; I422-L424 HydrophobicContact CG2-CG 4.44Å; I422-V435 HydrophobicContact CD1-CG1 4.2Å; I422-V435 HydrophobicContact CG2-CG1 3.64Å; I422-E436 WeakPolarHBondContact CA-O 3.35Å; I422-F437 HydrophobicContact CD1-CD1 3.16Å; I422-F437 HydrophobicContact CD1-CE1 3.32Å; I422-F437 HydrophobicContact CD1-CG 3.9Å; I422-F437 HydrophobicContact CD1-CZ 4.17Å; I422-V461 HydrophobicContact CG2-CG1 4.04Å; I422-L465 HydrophobicContact CG2-CD1 4.41Å; I422-L474 HydrophobicContact CG1-CD2 3.94Å
423	K	97.5	Very high	97.1	Very high	125 Å²	125	55.9 Å²	55.9	54%	0.543	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.2	165.5	-62.7	176	-176.2	172.3	0	110	E436	K423-E436 HydrophobicContact CB-CB 4.15Å; K423-E436 PolarHBondContact N-O 2.88Å; K423-E436 PolarHBondContact O-N 3.42Å
424	L	98.1	Very high	97.2	Very high	48 Å²	48	55.9 Å²	55.9	25%	0.251	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.5	-178	-65.2	-176	0	0	0	110.4	I422 V435 F458 V461 K462 L465	I422-L424 HydrophobicContact CG2-CD2 4.04Å; I422-L424 HydrophobicContact CG2-CG 4.44Å; L424-V435 HydrophobicContact CD2-CB 4.32Å; L424-V435 HydrophobicContact CD2-CG1 4.12Å; L424-V435 HydrophobicContact CD2-CG2 3.79Å; L424-F458 HydrophobicContact CB-CE2 3.82Å; L424-F458 HydrophobicContact CB-CZ 3.78Å; L424-F458 HydrophobicContact CD2-CD2 4.1Å; L424-F458 HydrophobicContact CD2-CE2 3.92Å; L424-F458 HydrophobicContact CG-CE2 4.36Å; L424-V461 HydrophobicContact CD1-CB 4.44Å; L424-V461 HydrophobicContact CD1-CG1 4.16Å; L424-V461 HydrophobicContact CD2-CB 4.24Å; L424-V461 HydrophobicContact CD2-CG1 3.78Å; L424-V461 HydrophobicContact CG-CG1 4.36Å; L424-K462 VanDerWaalsContact CD1-CA 3.5Å; L424-K462 HydrophobicContact CD1-CB 3.71Å; L424-K462 HydrophobicContact CD1-CG 4.24Å; L424-L465 HydrophobicContact CD1-CD1 3.82Å; L424-L465 HydrophobicContact CG-CD1 4.06Å
425	H	98.1	Very high	97.2	Very high	52 Å²	52	55.9 Å²	55.9	24%	0.241	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.8	176.4	-55.8	-85.8	0	0	0	109.2	E427 L428 V434 E436 F458	H425-E427 PolarHBondContact O-N 3.25Å; H425-L428 HydrophobicContact CB-CB 3.88Å; H425-V434 HydrophobicContact CB-CB 4.26Å; H425-V434 PolarHBondContact N-O 3.26Å; H425-V434 PolarHBondContact O-N 2.93Å; H425-E436 IonicContact CD2-OE2 2.93Å; H425-E436 IonicContact CE1-OE2 3.69Å; H425-E436 IonicContact NE2-OE2 3.78Å; H425-E436 PolarHBondContact NE2-OE2 2.75Å; H425-F458 WeakPolarHBondContact O-CE2 3.31Å
426	E	97.2	Very high	97.3	Very high	99 Å²	99	58.1 Å²	58.1	46%	0.463	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	-33.3	175.5	-63.5	-74.9	174.6	0	0	110.4	P432 Y433 F458 K462	E426-P432 CarbonylContact O-C 3.53Å; E426-P432 WeakPolarHBondContact O-CA 3.44Å; E426-Y433 PolarHBondContact O-N 2.75Å; E426-F458 VanDerWaalsContact CD-CE1 3.5Å; E426-F458 HydrophobicContact CG-CE1 4.42Å; E426-F458 HydrophobicContact CG-CZ 4.38Å; E426-F458 WeakPolarHBondContact OE1-CE1 3.46Å; E426-F458 WeakPolarHBondContact OE2-CE1 3.45Å; E426-K462 IonicContact OE1-NZ 2.79Å; E426-K462 PolarHBondContact OE1-NZ 2.92Å
427	E	96.5	Very high	97.3	Very high	138 Å²	138	57.5 Å²	57.5	65%	0.645	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.8	136.7	168.2	-172	178.5	163.3	0	0	110.1	H425 Q431	H425-E427 PolarHBondContact O-N 3.25Å; E427-Q431 WeakPolarHBondContact CA-O 3.4Å
428	L	96	Very high	97.3	Very high	50 Å²	50	59.8 Å²	59.8	26%	0.262	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	130	172.1	-175.9	68.8	0	0	0	109	H425 G430 Q431 V434 A450	H425-L428 HydrophobicContact CB-CB 3.88Å; L428-G430 VanDerWaalsContact C-N 3.26Å; L428-G430 PolarHBondContact O-N 3.32Å; L428-Q431 PolarHBondContact N-O 3.22Å; L428-Q431 PolarHBondContact O-N 2.86Å; L428-V434 HydrophobicContact CB-CB 4.01Å; L428-V434 HydrophobicContact CB-CG1 4.11Å; L428-V434 HydrophobicContact CB-CG2 4.09Å; L428-V434 HydrophobicContact CD2-CG1 3.99Å; L428-A450 HydrophobicContact CD2-CB 4.15Å
429	N	93.9	Very high	97.3	Very high	145 Å²	145	58.8 Å²	58.8	78%	0.775	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	39.7	-179.5	-58.1	-31	0	0	0	113.7	Q431	N429-Q431 PolarHBondContact O-N 3.35Å
430	G	95.1	Very high	97.3	Very high	54 Å²	54	58.1 Å²	58.1	56%	0.557	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	8.2	-179.1	0	0	0	0	0	115	L428	L428-G430 VanDerWaalsContact C-N 3.26Å; L428-G430 PolarHBondContact O-N 3.32Å
431	Q	95.8	Very high	97.2	Very high	106 Å²	106	55.6 Å²	55.6	50%	0.495	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.4	175.2	-64	-62.4	-42.7	0	0	110.1	E427 L428 N429 V434	E427-Q431 WeakPolarHBondContact CA-O 3.4Å; L428-Q431 PolarHBondContact N-O 3.22Å; L428-Q431 PolarHBondContact O-N 2.86Å; N429-Q431 PolarHBondContact O-N 3.35Å; Q431-V434 HydrophobicContact CB-CG2 3.8Å; Q431-V434 VanDerWaalsContact O-CG2 3.26Å; Q431-V434 WeakPolarHBondContact O-CG2 3.36Å
432	P	97.7	Very high	96.9	Very high	61 Å²	61	60.1 Å²	60.1	40%	0.396	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	156	177.8	34	-35.8	0	0	0	111.7	E426 S452	E426-P432 CarbonylContact O-C 3.53Å; E426-P432 WeakPolarHBondContact O-CA 3.44Å; P432-S452 PolarHBondContact O-OG 3.38Å
433	Y	98.1	Very high	96.5	Very high	60 Å²	60	62 Å²	62	24%	0.235	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	53.7	57.3	172.2	-48.1	-65	0	0	0	113.1	E426 V453 K455 F458	E426-Y433 PolarHBondContact O-N 2.75Å; Y433-V453 WeakPolarHBondContact O-CG2 3.17Å; Y433-V453 PolarHBondContact O-N 3.01Å; Y433-K455 HydrophobicContact CD1-CB 4.49Å; Y433-K455 HydrophobicContact CD1-CG 4.28Å; Y433-K455 HydrophobicContact CD2-CB 4.07Å; Y433-K455 HydrophobicContact CE1-CB 4.31Å; Y433-K455 HydrophobicContact CE1-CD 4.11Å; Y433-K455 HydrophobicContact CE1-CG 3.77Å; Y433-K455 HydrophobicContact CE2-CB 3.89Å; Y433-K455 HydrophobicContact CE2-CD 4.17Å; Y433-K455 HydrophobicContact CE2-CG 4.11Å; Y433-K455 HydrophobicContact CG-CB 4.38Å; Y433-K455 WeakPolarHBondContact OH-CD 3.49Å; Y433-K455 VanDerWaalsContact OH-CE 3.3Å; Y433-K455 WeakPolarHBondContact OH-CE 3.49Å; Y433-K455 PolarHBondContact OH-NZ 2.91Å; Y433-F458 VanDerWaalsContact C-CD2 3.47Å; Y433-F458 HydrophobicContact CD1-CB 4.35Å; Y433-F458 HydrophobicContact CD1-CD1 4.02Å; Y433-F458 HydrophobicContact CD1-CG 4.12Å; Y433-F458 HydrophobicContact CG-CB 4.42Å; Y433-F458 HydrophobicContact CG-CG 4.45Å
434	V	98.4	Very high	96.3	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.2	-174.2	177.1	0	0	0	0	111	H425 L428 Q431 A450 V451 F458	H425-V434 HydrophobicContact CB-CB 4.26Å; H425-V434 PolarHBondContact N-O 3.26Å; H425-V434 PolarHBondContact O-N 2.93Å; L428-V434 HydrophobicContact CB-CB 4.01Å; L428-V434 HydrophobicContact CB-CG1 4.11Å; L428-V434 HydrophobicContact CB-CG2 4.09Å; L428-V434 HydrophobicContact CD2-CG1 3.99Å; Q431-V434 HydrophobicContact CB-CG2 3.8Å; Q431-V434 VanDerWaalsContact O-CG2 3.26Å; Q431-V434 WeakPolarHBondContact O-CG2 3.36Å; V434-A450 HydrophobicContact CG1-CB 3.93Å; V434-V451 WeakPolarHBondContact CA-O 3.22Å; V434-F458 WeakPolarHBondContact O-CE2 3.42Å
435	V	98.3	Very high	96.1	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.7	170.8	-173.8	0	0	0	0	107.7	I422 L424 F437 V451 V453 F458	I422-V435 HydrophobicContact CD1-CG1 4.2Å; I422-V435 HydrophobicContact CG2-CG1 3.64Å; L424-V435 HydrophobicContact CD2-CB 4.32Å; L424-V435 HydrophobicContact CD2-CG1 4.12Å; L424-V435 HydrophobicContact CD2-CG2 3.79Å; V435-F437 HydrophobicContact CB-CE2 3.82Å; V435-F437 HydrophobicContact CB-CZ 4.25Å; V435-F437 HydrophobicContact CG1-CD2 4.11Å; V435-F437 HydrophobicContact CG1-CE1 4.28Å; V435-F437 HydrophobicContact CG1-CE2 3.5Å; V435-F437 HydrophobicContact CG1-CZ 3.6Å; V435-F437 WeakPolarHBondContact O-CD2 3.31Å; V435-V451 PolarHBondContact N-O 2.89Å; V435-V451 PolarHBondContact O-N 2.85Å; V435-V453 HydrophobicContact CB-CG1 4.36Å; V435-V453 HydrophobicContact CG2-CB 4.42Å; V435-V453 HydrophobicContact CG2-CG1 3.91Å; V435-V453 HydrophobicContact CG2-CG2 3.6Å; V435-F458 HydrophobicContact CG2-CD2 4.19Å
436	E	98.1	Very high	96	Very high	54 Å²	54	61.3 Å²	61.3	25%	0.252	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.1	173.3	-178.7	-172.3	176.8	0	0	109.1	I422 K423 H425 N449	I422-E436 WeakPolarHBondContact CA-O 3.35Å; K423-E436 HydrophobicContact CB-CB 4.15Å; K423-E436 PolarHBondContact N-O 2.88Å; K423-E436 PolarHBondContact O-N 3.42Å; H425-E436 IonicContact CD2-OE2 2.93Å; H425-E436 IonicContact CE1-OE2 3.69Å; H425-E436 IonicContact NE2-OE2 3.78Å; H425-E436 PolarHBondContact NE2-OE2 2.75Å; E436-N449 WeakPolarHBondContact CA-O 3.44Å
437	F	98.3	Very high	96	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.5	178	-63.7	-98.6	0	0	0	109.1	F392 L396 L417 H421 I422 V435 F439 Y447 Q448 N449	F392-F437 HydrophobicContact CD1-CZ 4.12Å; F392-F437 HydrophobicContact CD2-CE1 4.22Å; F392-F437 HydrophobicContact CD2-CZ 4.29Å; F392-F437 AromaticContact CE1-CZ 3.87Å; F392-F437 HydrophobicContact CE1-CZ 3.87Å; F392-F437 HydrophobicContact CE2-CE1 4.08Å; F392-F437 HydrophobicContact CE2-CZ 4.03Å; F392-F437 HydrophobicContact CG-CZ 4.35Å; F392-F437 HydrophobicContact CZ-CE1 4.33Å; F392-F437 AromaticContact CZ-CZ 3.82Å; F392-F437 HydrophobicContact CZ-CZ 3.82Å; L396-F437 HydrophobicContact CD1-CD2 4.36Å; L396-F437 HydrophobicContact CD1-CE1 4.35Å; L396-F437 HydrophobicContact CD1-CE2 3.65Å; L396-F437 HydrophobicContact CD1-CZ 3.65Å; L417-F437 HydrophobicContact CD1-CD1 4.48Å; L417-F437 HydrophobicContact CD1-CE1 4.25Å; H421-F437 WeakPolarHBondContact O-CA 3.49Å; I422-F437 HydrophobicContact CD1-CD1 3.16Å; I422-F437 HydrophobicContact CD1-CE1 3.32Å; I422-F437 HydrophobicContact CD1-CG 3.9Å; I422-F437 HydrophobicContact CD1-CZ 4.17Å; V435-F437 HydrophobicContact CB-CE2 3.82Å; V435-F437 HydrophobicContact CB-CZ 4.25Å; V435-F437 HydrophobicContact CG1-CD2 4.11Å; V435-F437 HydrophobicContact CG1-CE1 4.28Å; V435-F437 HydrophobicContact CG1-CE2 3.5Å; V435-F437 HydrophobicContact CG1-CZ 3.6Å; V435-F437 WeakPolarHBondContact O-CD2 3.31Å; F437-F439 HydrophobicContact CB-CD1 4.37Å; F437-F439 HydrophobicContact CB-CE1 4.21Å; F437-F439 HydrophobicContact CD1-CE1 4.24Å; F437-Y447 HydrophobicContact CB-CD1 3.81Å; F437-Y447 HydrophobicContact CB-CE1 3.71Å; F437-Y447 HydrophobicContact CG-CE1 4.07Å; F437-Q448 VanDerWaalsContact O-CA 3.31Å; F437-Q448 WeakPolarHBondContact O-CA 3.11Å; F437-N449 PolarHBondContact N-O 3.41Å; F437-N449 PolarHBondContact O-N 3.06Å; F437-N449 VanDerWaalsContact O-N 3.09Å
438	D	98	Very high	95.9	Very high	47 Å²	47	56.3 Å²	56.3	25%	0.251	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	105.9	170.3	-166.5	-10.9	0	0	0	110.2	H421 R446 Y447 Q448	H421-D438 WeakPolarHBondContact CA-O 3.35Å; H421-D438 PolarHBondContact CD2-O 3.32Å; H421-D438 PolarHBondContact O-N 3.35Å; D438-R446 IonicContact OD1-CZ 3.86Å; D438-R446 IonicContact OD1-NE 3.16Å; D438-R446 PolarHBondContact OD1-NE 3.32Å; D438-R446 IonicContact OD1-NH2 3Å; D438-R446 PolarHBondContact OD1-NH2 3.43Å; D438-R446 IonicContact OD2-CZ 2.67Å; D438-R446 IonicContact OD2-NE 2.74Å; D438-R446 IonicContact OD2-NH2 2.74Å; D438-R446 PolarHBondContact OD2-NH2 3.09Å; D438-Y447 WeakPolarHBondContact CA-O 3.37Å; D438-Q448 HydrophobicContact CB-CG 4.33Å; D438-Q448 WeakPolarHBondContact OD1-CG 3.36Å; D438-Q448 PolarHBondContact OD2-NE2 2.81Å
439	F	97.7	Very high	95.9	Very high	12 Å²	12	57 Å²	57	5%	0.053	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	161.5	-179.4	64.4	-90.3	0	0	0	112.4	L398 V412 L417 H421 F437 R446 Y447	L398-F439 HydrophobicContact CD2-CZ 4.11Å; V412-F439 HydrophobicContact CG2-CB 3.68Å; V412-F439 HydrophobicContact CG2-CD2 3.38Å; V412-F439 HydrophobicContact CG2-CE2 4.17Å; V412-F439 HydrophobicContact CG2-CG 3.71Å; L417-F439 HydrophobicContact CD2-CD1 3.72Å; L417-F439 HydrophobicContact CD2-CE1 3.88Å; L417-F439 HydrophobicContact CD2-CG 4.06Å; L417-F439 HydrophobicContact CD2-CZ 4.36Å; H421-F439 HydrophobicContact CB-CB 4.04Å; H421-F439 WeakPolarHBondContact CD2-CB 3.29Å; F437-F439 HydrophobicContact CB-CD1 4.37Å; F437-F439 HydrophobicContact CB-CE1 4.21Å; F437-F439 HydrophobicContact CD1-CE1 4.24Å; F439-R446 CarbonylContact O-C 3.52Å; F439-R446 WeakPolarHBondContact O-CA 3.37Å; F439-Y447 HydrophobicContact CD1-CD1 4.12Å; F439-Y447 AromaticContact CE1-CD1 3.34Å; F439-Y447 HydrophobicContact CE1-CD1 3.34Å; F439-Y447 HydrophobicContact CE1-CE1 4.12Å; F439-Y447 AromaticContact CE1-CG 3.8Å; F439-Y447 HydrophobicContact CE1-CG 3.8Å; F439-Y447 HydrophobicContact CE2-CG 4.42Å; F439-Y447 AromaticContact CZ-CD1 3.72Å; F439-Y447 HydrophobicContact CZ-CD1 3.72Å; F439-Y447 HydrophobicContact CZ-CD2 4.5Å; F439-Y447 AromaticContact CZ-CG 3.7Å; F439-Y447 HydrophobicContact CZ-CG 3.7Å; F439-Y447 PolarHBondContact N-O 3.07Å; F439-Y447 VanDerWaalsContact N-O 3.14Å; F439-Y447 PolarHBondContact O-N 3.45Å
440	L	96.8	Very high	96	Very high	76 Å²	76	52.5 Å²	52.5	40%	0.398	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.6	171.3	-60.9	-177.2	0	0	0	110.1	T411 V412 R446	T411-L440 CarbonylContact C-O 3.6Å; T411-L440 WeakPolarHBondContact CA-O 3.46Å; T411-L440 WeakPolarHBondContact CB-O 3.47Å; V412-L440 PolarHBondContact N-O 3.04Å; L440-R446 HydrophobicContact CD2-CB 3.91Å; L440-R446 HydrophobicContact CD2-CG 4.08Å
441	G	95.2	Very high	96.1	Very high	5 Å²	5	51.2 Å²	51.2	5%	0.052	26%	0.258	C	S	.	.			trans	-88.2	-165.5	175.9	0	0	0	0	0	113	T411 D443 S444 I445	T411-G441 VanDerWaalsContact CB-O 3.26Å; T411-G441 WeakPolarHBondContact CB-O 3.41Å; T411-G441 VanDerWaalsContact CG2-O 3.25Å; T411-G441 WeakPolarHBondContact CG2-O 3.36Å; G441-D443 PolarHBondContact O-N 3.3Å; G441-S444 WeakPolarHBondContact O-CA 3.45Å; G441-S444 PolarHBondContact O-N 2.79Å; G441-I445 PolarHBondContact N-O 3.06Å
442	K	91.7	Very high	96.2	Very high	114 Å²	114	48.5 Å²	48.5	50%	0.496	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-47.2	136.8	174	-172.4	-171.4	171.3	176.3	0	110.8	S444	K442-S444 PolarHBondContact O-N 3.49Å
443	D	89.7	Confident	96.2	Very high	52 Å²	52	45.9 Å²	45.9	28%	0.278	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	66.7	16.6	-177.9	-54.2	-58.7	0	0	0	113.8	R275 G441 I445	R275-D443 WeakPolarHBondContact CD-OD1 3.47Å; R275-D443 IonicContact CZ-OD1 3.9Å; R275-D443 IonicContact NE-OD1 2.62Å; R275-D443 IonicContact NH1-OD1 3.01Å; R275-D443 PolarHBondContact NH1-OD1 3Å; R275-D443 IonicContact NH1-OD2 3.76Å; R275-D443 PolarHBondContact NH1-OD2 3.03Å; G441-D443 PolarHBondContact O-N 3.3Å; D443-I445 HydrophobicContact CB-CG1 4.25Å; D443-I445 PolarHBondContact O-N 3.41Å
444	S	93.5	Very high	96.2	Very high	26 Å²	26	45.9 Å²	45.9	18%	0.182	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	59.6	29.6	-177.9	-49.5	0	0	0	0	112.9	G441 K442	G441-S444 WeakPolarHBondContact O-CA 3.45Å; G441-S444 PolarHBondContact O-N 2.79Å; K442-S444 PolarHBondContact O-N 3.49Å
445	I	93.3	Very high	96.2	Very high	63 Å²	63	50.7 Å²	50.7	32%	0.323	26%	0.262	S	S	.	.			trans	-81.9	122.2	172.5	-58.1	-60	0	0	0	108.4	G441 D443 Q543	G441-I445 PolarHBondContact N-O 3.06Å; D443-I445 HydrophobicContact CB-CG1 4.25Å; D443-I445 PolarHBondContact O-N 3.41Å; I445-Q543 HydrophobicContact CG2-CB 4.05Å; I445-Q543 HydrophobicContact CG2-CG 4.31Å
446	R	96.1	Very high	96.1	Very high	121 Å²	121	57 Å²	57	46%	0.457	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	133	-179.9	-158.5	-179.3	-170.7	167.6	0.5	110.6	D438 F439 L440 Q448 N541	D438-R446 IonicContact OD1-CZ 3.86Å; D438-R446 IonicContact OD1-NE 3.16Å; D438-R446 PolarHBondContact OD1-NE 3.32Å; D438-R446 IonicContact OD1-NH2 3Å; D438-R446 PolarHBondContact OD1-NH2 3.43Å; D438-R446 IonicContact OD2-CZ 2.67Å; D438-R446 IonicContact OD2-NE 2.74Å; D438-R446 IonicContact OD2-NH2 2.74Å; D438-R446 PolarHBondContact OD2-NH2 3.09Å; F439-R446 CarbonylContact O-C 3.52Å; F439-R446 WeakPolarHBondContact O-CA 3.37Å; L440-R446 HydrophobicContact CD2-CB 3.91Å; L440-R446 HydrophobicContact CD2-CG 4.08Å; R446-Q448 HydrophobicContact CG-CG 4.01Å; R446-Q448 VanDerWaalsContact NE-CD 3.32Å; R446-N541 PolarHBondContact O-ND2 3.2Å
447	Y	97	Very high	96.1	Very high	19 Å²	19	54.4 Å²	54.4	8%	0.075	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	110.8	167.7	-177	-85.2	0	0	0	107.2	L398 F437 D438 F439 N449 N541	L398-Y447 HydrophobicContact CD2-CD2 4.2Å; L398-Y447 HydrophobicContact CD2-CE1 4.1Å; L398-Y447 HydrophobicContact CD2-CE2 3.76Å; F437-Y447 HydrophobicContact CB-CD1 3.81Å; F437-Y447 HydrophobicContact CB-CE1 3.71Å; F437-Y447 HydrophobicContact CG-CE1 4.07Å; D438-Y447 WeakPolarHBondContact CA-O 3.37Å; F439-Y447 HydrophobicContact CD1-CD1 4.12Å; F439-Y447 AromaticContact CE1-CD1 3.34Å; F439-Y447 HydrophobicContact CE1-CD1 3.34Å; F439-Y447 HydrophobicContact CE1-CE1 4.12Å; F439-Y447 AromaticContact CE1-CG 3.8Å; F439-Y447 HydrophobicContact CE1-CG 3.8Å; F439-Y447 HydrophobicContact CE2-CG 4.42Å; F439-Y447 AromaticContact CZ-CD1 3.72Å; F439-Y447 HydrophobicContact CZ-CD1 3.72Å; F439-Y447 HydrophobicContact CZ-CD2 4.5Å; F439-Y447 AromaticContact CZ-CG 3.7Å; F439-Y447 HydrophobicContact CZ-CG 3.7Å; F439-Y447 PolarHBondContact N-O 3.07Å; F439-Y447 VanDerWaalsContact N-O 3.14Å; F439-Y447 PolarHBondContact O-N 3.45Å; Y447-N449 HydrophobicContact CD1-CB 4.34Å; Y447-N449 HydrophobicContact CE1-CB 3.54Å; Y447-N449 PolarHBondContact OH-ND2 2.89Å; Y447-N541 HydrophobicContact CD2-CB 3.79Å; Y447-N541 HydrophobicContact CE2-CB 4.22Å
448	Q	95.6	Very high	96.1	Very high	112 Å²	112	54.5 Å²	54.5	52%	0.523	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.7	173.8	-80.7	-177.3	-39.3	0	0	108.8	F437 D438 R446	F437-Q448 VanDerWaalsContact O-CA 3.31Å; F437-Q448 WeakPolarHBondContact O-CA 3.11Å; D438-Q448 HydrophobicContact CB-CG 4.33Å; D438-Q448 WeakPolarHBondContact OD1-CG 3.36Å; D438-Q448 PolarHBondContact OD2-NE2 2.81Å; R446-Q448 HydrophobicContact CG-CG 4.01Å; R446-Q448 VanDerWaalsContact NE-CD 3.32Å
449	N	95.2	Very high	96.1	Very high	66 Å²	66	57.5 Å²	57.5	35%	0.353	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	140.8	179.8	-161.7	6.9	0	0	0	110.8	E436 F437 Y447 V451	E436-N449 WeakPolarHBondContact CA-O 3.44Å; F437-N449 PolarHBondContact N-O 3.41Å; F437-N449 PolarHBondContact O-N 3.06Å; F437-N449 VanDerWaalsContact O-N 3.09Å; Y447-N449 HydrophobicContact CD1-CB 4.34Å; Y447-N449 HydrophobicContact CE1-CB 3.54Å; Y447-N449 PolarHBondContact OH-ND2 2.89Å; N449-V451 HydrophobicContact CB-CG2 4.35Å; N449-V451 VanDerWaalsContact ND2-CG2 3.26Å; N449-V451 WeakPolarHBondContact ND2-CG2 3.5Å
450	A	96.7	Very high	96.2	Very high	49 Å²	49	57.3 Å²	57.3	41%	0.405	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.8	173.2	0	0	0	0	0	108.6	L428 V434	L428-A450 HydrophobicContact CD2-CB 4.15Å; V434-A450 HydrophobicContact CG1-CB 3.93Å
451	V	96.4	Very high	96.2	Very high	27 Å²	27	53.7 Å²	53.7	16%	0.164	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127	-169.4	-176.2	0	0	0	0	110.8	L396 V434 V435 N449 V453	L396-V451 HydrophobicContact CD2-CB 4.41Å; L396-V451 HydrophobicContact CD2-CG1 4.07Å; L396-V451 HydrophobicContact CD2-CG2 3.82Å; V434-V451 WeakPolarHBondContact CA-O 3.22Å; V435-V451 PolarHBondContact N-O 2.89Å; V435-V451 PolarHBondContact O-N 2.85Å; N449-V451 HydrophobicContact CB-CG2 4.35Å; N449-V451 VanDerWaalsContact ND2-CG2 3.26Å; N449-V451 WeakPolarHBondContact ND2-CG2 3.5Å; V451-V453 HydrophobicContact CG1-CG1 4.32Å; V451-V453 PolarHBondContact O-N 3.02Å
452	S	97.8	Very high	96.4	Very high	49 Å²	49	58.9 Å²	58.9	34%	0.343	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	123.7	166.6	-177.6	0	0	0	0	109.9	P432	P432-S452 PolarHBondContact O-OG 3.38Å
453	V	98.1	Very high	96.7	Very high	6 Å²	6	56.8 Å²	56.8	4%	0.036	28%	0.28	C	S	.	.			trans	-116.7	160.3	-178.9	-56	0	0	0	0	110.8	Y391 Y433 V435 V451 K455 V457 F458	Y391-V453 HydrophobicContact CE1-CB 4.24Å; Y391-V453 HydrophobicContact CE1-CG1 4.06Å; Y433-V453 WeakPolarHBondContact O-CG2 3.17Å; Y433-V453 PolarHBondContact O-N 3.01Å; V435-V453 HydrophobicContact CB-CG1 4.36Å; V435-V453 HydrophobicContact CG2-CB 4.42Å; V435-V453 HydrophobicContact CG2-CG1 3.91Å; V435-V453 HydrophobicContact CG2-CG2 3.6Å; V451-V453 HydrophobicContact CG1-CG1 4.32Å; V451-V453 PolarHBondContact O-N 3.02Å; V453-K455 PolarHBondContact O-N 3.33Å; V453-V457 HydrophobicContact CB-CB 4.18Å; V453-V457 HydrophobicContact CB-CG1 4.11Å; V453-V457 HydrophobicContact CG2-CB 3.98Å; V453-V457 HydrophobicContact CG2-CG1 3.95Å; V453-F458 HydrophobicContact CG2-CB 3.84Å; V453-F458 HydrophobicContact CG2-CD2 4.49Å
454	P	97.7	Very high	97.1	Very high	61 Å²	61	54.5 Å²	54.5	40%	0.396	27%	0.268	S	S	.	.			trans	-53.8	138	172.3	-26	33.6	0	0	0	111.5	Y391 R456 V457 F458	Y391-P454 HydrophobicContact CE2-CG 4.35Å; Y391-P454 WeakPolarHBondContact OH-CD 3.48Å; P454-R456 PolarHBondContact O-N 2.9Å; P454-V457 HydrophobicContact CB-CG2 4.2Å; P454-V457 HydrophobicContact CG-CG2 4.26Å; P454-V457 WeakPolarHBondContact O-CA 3.44Å; P454-V457 WeakPolarHBondContact O-CB 3.43Å; P454-V457 PolarHBondContact O-N 2.86Å; P454-F458 PolarHBondContact O-N 2.89Å; P454-F458 VanDerWaalsContact O-N 3.13Å
455	K	97.9	Very high	97.2	Very high	104 Å²	104	54.4 Å²	54.4	45%	0.452	27%	0.265	S	S	.	.	H	α-helix	trans	-45.6	-36.6	179.8	-177.5	173.1	-168.8	156.1	0	114.2	Y433 V453 K459	Y433-K455 HydrophobicContact CD1-CB 4.49Å; Y433-K455 HydrophobicContact CD1-CG 4.28Å; Y433-K455 HydrophobicContact CD2-CB 4.07Å; Y433-K455 HydrophobicContact CE1-CB 4.31Å; Y433-K455 HydrophobicContact CE1-CD 4.11Å; Y433-K455 HydrophobicContact CE1-CG 3.77Å; Y433-K455 HydrophobicContact CE2-CB 3.89Å; Y433-K455 HydrophobicContact CE2-CD 4.17Å; Y433-K455 HydrophobicContact CE2-CG 4.11Å; Y433-K455 HydrophobicContact CG-CB 4.38Å; Y433-K455 WeakPolarHBondContact OH-CD 3.49Å; Y433-K455 VanDerWaalsContact OH-CE 3.3Å; Y433-K455 WeakPolarHBondContact OH-CE 3.49Å; Y433-K455 PolarHBondContact OH-NZ 2.91Å; V453-K455 PolarHBondContact O-N 3.33Å; K455-K459 HydrophobicContact CG-CD 4.46Å; K455-K459 WeakPolarHBondContact O-CB 3.47Å; K455-K459 WeakPolarHBondContact O-CG 3.46Å; K455-K459 PolarHBondContact O-N 2.87Å
456	R	97.4	Very high	97.4	Very high	132 Å²	132	58 Å²	58	50%	0.498	28%	0.278	S	S	.	.	H	α-helix	trans	-69.1	-39.2	178	-70.1	-69.2	-179.7	170.4	-0.2	112.7	F376 P454 N460	F376-R456 HydrophobicContact CB-CB 4.35Å; F376-R456 HydrophobicContact CD2-CB 4.48Å; P454-R456 PolarHBondContact O-N 2.9Å; R456-N460 WeakPolarHBondContact O-CB 2.96Å; R456-N460 PolarHBondContact O-N 3.14Å; R456-N460 PolarHBondContact O-ND2 3.42Å
457	V	98.4	Very high	97.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-50.7	173.5	176.7	0	0	0	0	109.3	F376 V388 Y391 F392 V453 P454 K459 N460 V461	F376-V457 HydrophobicContact CD2-CG2 4.07Å; F376-V457 HydrophobicContact CE1-CG2 4.05Å; F376-V457 HydrophobicContact CE2-CG2 3.55Å; F376-V457 HydrophobicContact CZ-CG2 3.55Å; V388-V457 HydrophobicContact CG1-CG1 4.01Å; V388-V457 HydrophobicContact CG2-CG1 4.41Å; Y391-V457 HydrophobicContact CD1-CG1 3.98Å; Y391-V457 HydrophobicContact CD1-CG2 4.03Å; Y391-V457 HydrophobicContact CE1-CG1 3.98Å; Y391-V457 HydrophobicContact CE1-CG2 4.14Å; Y391-V457 HydrophobicContact CG-CG2 4.38Å; F392-V457 HydrophobicContact CE1-CG1 3.94Å; F392-V457 HydrophobicContact CZ-CG1 4.25Å; V453-V457 HydrophobicContact CB-CB 4.18Å; V453-V457 HydrophobicContact CB-CG1 4.11Å; V453-V457 HydrophobicContact CG2-CB 3.98Å; V453-V457 HydrophobicContact CG2-CG1 3.95Å; P454-V457 HydrophobicContact CB-CG2 4.2Å; P454-V457 HydrophobicContact CG-CG2 4.26Å; P454-V457 WeakPolarHBondContact O-CA 3.44Å; P454-V457 WeakPolarHBondContact O-CB 3.43Å; P454-V457 PolarHBondContact O-N 2.86Å; V457-K459 PolarHBondContact O-N 2.92Å; V457-N460 WeakPolarHBondContact O-CB 3.37Å; V457-N460 PolarHBondContact O-N 3.06Å; V457-V461 HydrophobicContact CG1-CG2 4.26Å; V457-V461 WeakPolarHBondContact O-CG2 3.29Å; V457-V461 PolarHBondContact O-N 3.44Å
458	F	98.5	Very high	97.4	Very high	3 Å²	3	60.3 Å²	60.3	1%	0.013	30%	0.299	C	S	.	.	H	α-helix	trans	-55.9	-48	178.5	-173.1	-87.9	0	0	0	112.7	L424 H425 E426 Y433 V434 V435 V453 P454 N460 V461 K462	L424-F458 HydrophobicContact CB-CE2 3.82Å; L424-F458 HydrophobicContact CB-CZ 3.78Å; L424-F458 HydrophobicContact CD2-CD2 4.1Å; L424-F458 HydrophobicContact CD2-CE2 3.92Å; L424-F458 HydrophobicContact CG-CE2 4.36Å; H425-F458 WeakPolarHBondContact O-CE2 3.31Å; E426-F458 VanDerWaalsContact CD-CE1 3.5Å; E426-F458 HydrophobicContact CG-CE1 4.42Å; E426-F458 HydrophobicContact CG-CZ 4.38Å; E426-F458 WeakPolarHBondContact OE1-CE1 3.46Å; E426-F458 WeakPolarHBondContact OE2-CE1 3.45Å; Y433-F458 VanDerWaalsContact C-CD2 3.47Å; Y433-F458 HydrophobicContact CD1-CB 4.35Å; Y433-F458 HydrophobicContact CD1-CD1 4.02Å; Y433-F458 HydrophobicContact CD1-CG 4.12Å; Y433-F458 HydrophobicContact CG-CB 4.42Å; Y433-F458 HydrophobicContact CG-CG 4.45Å; V434-F458 WeakPolarHBondContact O-CE2 3.42Å; V435-F458 HydrophobicContact CG2-CD2 4.19Å; V453-F458 HydrophobicContact CG2-CB 3.84Å; V453-F458 HydrophobicContact CG2-CD2 4.49Å; P454-F458 PolarHBondContact O-N 2.89Å; P454-F458 VanDerWaalsContact O-N 3.13Å; F458-N460 VanDerWaalsContact C-N 3.32Å; F458-N460 PolarHBondContact O-N 3.09Å; F458-V461 PolarHBondContact O-N 3.34Å; F458-K462 WeakPolarHBondContact O-CB 3.06Å; F458-K462 PolarHBondContact O-N 2.98Å
459	K	98.2	Very high	97.4	Very high	111 Å²	111	62 Å²	62	48%	0.483	31%	0.305	S	S	.	.	H	α-helix	trans	-60.8	-39.1	175.3	-76.1	-174.3	175.1	-163.5	0	113	K455 V457 L463	K455-K459 HydrophobicContact CG-CD 4.46Å; K455-K459 WeakPolarHBondContact O-CB 3.47Å; K455-K459 WeakPolarHBondContact O-CG 3.46Å; K455-K459 PolarHBondContact O-N 2.87Å; V457-K459 PolarHBondContact O-N 2.92Å; K459-L463 PolarHBondContact O-N 2.99Å
460	N	98.6	Very high	97.3	Very high	8 Å²	8	65.1 Å²	65.1	4%	0.043	32%	0.318	C	S	.	.	H	α-helix	trans	-67.6	-44.6	176.6	-81.5	-18.9	0	0	0	111.3	F376 V388 R456 V457 F458 K462 L463 F464	F376-N460 PolarHBondContact O-ND2 2.86Å; V388-N460 HydrophobicContact CG2-CB 4.08Å; R456-N460 WeakPolarHBondContact O-CB 2.96Å; R456-N460 PolarHBondContact O-N 3.14Å; R456-N460 PolarHBondContact O-ND2 3.42Å; V457-N460 WeakPolarHBondContact O-CB 3.37Å; V457-N460 PolarHBondContact O-N 3.06Å; F458-N460 VanDerWaalsContact C-N 3.32Å; F458-N460 PolarHBondContact O-N 3.09Å; N460-K462 VanDerWaalsContact C-N 3.32Å; N460-K462 PolarHBondContact O-N 2.77Å; N460-L463 CarbonylContact O-C 3.4Å; N460-L463 WeakPolarHBondContact O-CA 3.24Å; N460-L463 WeakPolarHBondContact O-CB 3.48Å; N460-L463 PolarHBondContact O-N 3.18Å; N460-F464 HydrophobicContact CB-CE1 4.05Å; N460-F464 HydrophobicContact CB-CE2 4.05Å; N460-F464 HydrophobicContact CB-CZ 3.64Å; N460-F464 WeakPolarHBondContact O-CD1 3.47Å; N460-F464 WeakPolarHBondContact O-CD2 3.35Å; N460-F464 WeakPolarHBondContact O-CE1 3.34Å; N460-F464 WeakPolarHBondContact O-CG 3.47Å; N460-F464 PolarHBondContact O-N 2.98Å
461	V	98.2	Very high	97.2	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60.8	-42.4	175.8	-178.7	0	0	0	0	110.8	V388 F392 I422 L424 V457 F458 L463 F464 L465 L474	V388-V461 HydrophobicContact CG1-CG2 4.03Å; F392-V461 HydrophobicContact CE2-CG2 4.49Å; F392-V461 HydrophobicContact CZ-CG2 3.91Å; I422-V461 HydrophobicContact CG2-CG1 4.04Å; L424-V461 HydrophobicContact CD1-CB 4.44Å; L424-V461 HydrophobicContact CD1-CG1 4.16Å; L424-V461 HydrophobicContact CD2-CB 4.24Å; L424-V461 HydrophobicContact CD2-CG1 3.78Å; L424-V461 HydrophobicContact CG-CG1 4.36Å; V457-V461 HydrophobicContact CG1-CG2 4.26Å; V457-V461 WeakPolarHBondContact O-CG2 3.29Å; V457-V461 PolarHBondContact O-N 3.44Å; F458-V461 PolarHBondContact O-N 3.34Å; V461-L463 PolarHBondContact O-N 3.31Å; V461-F464 PolarHBondContact O-N 3.03Å; V461-L465 HydrophobicContact CG1-CD1 4.14Å; V461-L465 WeakPolarHBondContact O-CG 3.32Å; V461-L465 PolarHBondContact O-N 2.89Å; V461-L474 HydrophobicContact CG1-CD1 4.21Å
462	K	97.9	Very high	97.2	Very high	114 Å²	114	69.7 Å²	69.7	50%	0.496	33%	0.334	S	S	.	.	H	α-helix	trans	-57.2	-39	173.1	-167.2	173	-168.7	167.8	0	112.2	L424 E426 F458 N460 K466	L424-K462 VanDerWaalsContact CD1-CA 3.5Å; L424-K462 HydrophobicContact CD1-CB 3.71Å; L424-K462 HydrophobicContact CD1-CG 4.24Å; E426-K462 IonicContact OE1-NZ 2.79Å; E426-K462 PolarHBondContact OE1-NZ 2.92Å; F458-K462 WeakPolarHBondContact O-CB 3.06Å; F458-K462 PolarHBondContact O-N 2.98Å; N460-K462 VanDerWaalsContact C-N 3.32Å; N460-K462 PolarHBondContact O-N 2.77Å; K462-K466 PolarHBondContact O-N 3.35Å
463	L	97.8	Very high	97.2	Very high	70 Å²	70	70.7 Å²	70.7	37%	0.366	34%	0.336	S	S	.	.	H	α-helix	trans	-71.6	-37.1	175.3	-176.8	61.5	0	0	0	112.3	M381 K459 N460 V461 L465 K466	M381-L463 HydrophobicContact CE-CD2 3.69Å; M381-L463 HydrophobicContact CE-CG 3.94Å; K459-L463 PolarHBondContact O-N 2.99Å; N460-L463 CarbonylContact O-C 3.4Å; N460-L463 WeakPolarHBondContact O-CA 3.24Å; N460-L463 WeakPolarHBondContact O-CB 3.48Å; N460-L463 PolarHBondContact O-N 3.18Å; V461-L463 PolarHBondContact O-N 3.31Å; L463-L465 VanDerWaalsContact C-N 3.28Å; L463-L465 PolarHBondContact O-N 3.02Å; L463-K466 HydrophobicContact CD1-CD 4.38Å; L463-K466 VanDerWaalsContact O-CB 3.29Å; L463-K466 WeakPolarHBondContact O-CB 3.43Å; L463-K466 PolarHBondContact O-N 3.17Å
464	F	98.1	Very high	97.2	Very high	4 Å²	4	70.4 Å²	70.4	2%	0.018	33%	0.334	C	S	.	.	H	α-helix	trans	-68	-28.3	178.5	-56.2	-19.8	0	0	0	112.5	M381 R384 Q385 V388 N460 V461 K468 L474 F475	M381-F464 HydrophobicContact SD-CD1 3.58Å; M381-F464 VanDerWaalsContact SD-CD1 3.58Å; M381-F464 HydrophobicContact SD-CE1 3.41Å; M381-F464 WeakPolarHBondContact SD-CE1 3.33Å; R384-F464 HydrophobicContact CB-CE1 4.09Å; R384-F464 HydrophobicContact CB-CZ 3.96Å; Q385-F464 HydrophobicContact CB-CZ 4.43Å; Q385-F464 HydrophobicContact CG-CD1 3.95Å; Q385-F464 HydrophobicContact CG-CD2 4.35Å; Q385-F464 HydrophobicContact CG-CE1 3.74Å; Q385-F464 HydrophobicContact CG-CE2 4.14Å; Q385-F464 HydrophobicContact CG-CG 4.27Å; Q385-F464 HydrophobicContact CG-CZ 3.82Å; V388-F464 HydrophobicContact CB-CE2 3.82Å; V388-F464 HydrophobicContact CB-CZ 4.37Å; V388-F464 HydrophobicContact CG1-CE2 4Å; V388-F464 HydrophobicContact CG2-CE2 3.81Å; V388-F464 HydrophobicContact CG2-CZ 4.01Å; N460-F464 HydrophobicContact CB-CE1 4.05Å; N460-F464 HydrophobicContact CB-CE2 4.05Å; N460-F464 HydrophobicContact CB-CZ 3.64Å; N460-F464 WeakPolarHBondContact O-CD1 3.47Å; N460-F464 WeakPolarHBondContact O-CD2 3.35Å; N460-F464 WeakPolarHBondContact O-CE1 3.34Å; N460-F464 WeakPolarHBondContact O-CG 3.47Å; N460-F464 PolarHBondContact O-N 2.98Å; V461-F464 PolarHBondContact O-N 3.03Å; F464-K468 WeakPolarHBondContact O-CD 3.42Å; F464-K468 WeakPolarHBondContact O-CE 3.27Å; F464-K468 PolarHBondContact O-NZ 2.82Å; F464-L474 HydrophobicContact CB-CD1 3.95Å; F464-F475 HydrophobicContact CD2-CD1 4.2Å; F464-F475 AromaticContact CD2-CE1 3.95Å; F464-F475 HydrophobicContact CD2-CE1 3.95Å; F464-F475 HydrophobicContact CE2-CD1 4.3Å; F464-F475 AromaticContact CE2-CE1 3.89Å; F464-F475 HydrophobicContact CE2-CE1 3.89Å
465	L	97.3	Very high	97.2	Very high	23 Å²	23	67.5 Å²	67.5	12%	0.12	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-10.8	175.2	-66.9	170.1	0	0	0	113.2	Y419 I422 L424 V461 L463 N467 K468 L474	Y419-L465 HydrophobicContact CD2-CB 4.35Å; Y419-L465 HydrophobicContact CD2-CD2 3.54Å; Y419-L465 HydrophobicContact CE2-CB 4.34Å; Y419-L465 HydrophobicContact CE2-CD2 4.15Å; Y419-L465 HydrophobicContact CG-CD2 4.24Å; I422-L465 HydrophobicContact CG2-CD1 4.41Å; L424-L465 HydrophobicContact CD1-CD1 3.82Å; L424-L465 HydrophobicContact CG-CD1 4.06Å; V461-L465 HydrophobicContact CG1-CD1 4.14Å; V461-L465 WeakPolarHBondContact O-CG 3.32Å; V461-L465 PolarHBondContact O-N 2.89Å; L463-L465 VanDerWaalsContact C-N 3.28Å; L463-L465 PolarHBondContact O-N 3.02Å; L465-N467 PolarHBondContact O-N 3Å; L465-K468 PolarHBondContact O-N 3.01Å; L465-L474 HydrophobicContact CD2-CD1 3.66Å; L465-L474 HydrophobicContact CG-CD1 3.91Å
466	K	96.4	Very high	97.1	Very high	138 Å²	138	66.3 Å²	66.3	60%	0.6	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	130	-177	-172.9	179.8	178.5	-177.7	0	110.1	K462 L463 K468	K462-K466 PolarHBondContact O-N 3.35Å; L463-K466 HydrophobicContact CD1-CD 4.38Å; L463-K466 VanDerWaalsContact O-CB 3.29Å; L463-K466 WeakPolarHBondContact O-CB 3.43Å; L463-K466 PolarHBondContact O-N 3.17Å; K466-K468 PolarHBondContact O-N 3.06Å
467	N	95.2	Very high	97.1	Very high	154 Å²	154	67.2 Å²	67.2	82%	0.824	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	26	-179.3	-52.4	-20.8	0	0	0	114.4	L465	L465-N467 PolarHBondContact O-N 3Å
468	K	97.2	Very high	97	Very high	36 Å²	36	68 Å²	68	16%	0.157	32%	0.321	C	S	.	.			trans	-109.8	157.6	173.4	-67.3	-169.9	-175	169.7	0	111.4	Y419 F464 L465 K466 D472 D473 L474 D476	Y419-K468 HydrophobicContact CD2-CB 3.9Å; Y419-K468 WeakPolarHBondContact CE2-O 3.43Å; F464-K468 WeakPolarHBondContact O-CD 3.42Å; F464-K468 WeakPolarHBondContact O-CE 3.27Å; F464-K468 PolarHBondContact O-NZ 2.82Å; L465-K468 PolarHBondContact O-N 3.01Å; K466-K468 PolarHBondContact O-N 3.06Å; K468-D472 VanDerWaalsContact CA-OD2 3.3Å; K468-D472 WeakPolarHBondContact CA-OD2 3.28Å; K468-D472 HydrophobicContact CB-CB 3.92Å; K468-D472 HydrophobicContact CD-CB 4.09Å; K468-D472 HydrophobicContact CG-CB 4.11Å; K468-D473 WeakPolarHBondContact CD-O 3.41Å; K468-D473 WeakPolarHBondContact CE-O 3.47Å; K468-D473 PolarHBondContact NZ-O 3.3Å; K468-L474 PolarHBondContact NZ-O 3.33Å; K468-D476 IonicContact NZ-OD1 2.84Å; K468-D476 PolarHBondContact NZ-OD1 2.82Å
469	K	96	Very high	96.8	Very high	147 Å²	147	70.6 Å²	70.6	64%	0.639	34%	0.335	S	S	*	.			trans	-128.3	177.1	176.4	58.2	178.8	178	-177.1	0	110.5	Y419 N471 D472	Y419-K469 WeakPolarHBondContact CB-O 3.05Å; K469-N471 PolarHBondContact O-N 3.38Å; K469-D472 WeakPolarHBondContact CG-OD2 3.29Å; K469-D472 PolarHBondContact N-OD2 3.05Å; K469-D472 VanDerWaalsContact O-CB 3.31Å; K469-D472 WeakPolarHBondContact O-CB 3.15Å; K469-D472 PolarHBondContact O-N 3.08Å
470	E	94.7	Very high	96.7	Very high	132 Å²	132	65.7 Å²	65.7	62%	0.617	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	140.2	173.6	-60.2	-175.7	176.6	0	0	111.2	Y419 E420 D472	Y419-E470 HydrophobicContact CD1-CG 4.35Å; E420-E470 HydrophobicContact CB-CG 4.32Å; E420-E470 WeakPolarHBondContact OE2-CA 3.5Å; E470-D472 VanDerWaalsContact C-N 3.27Å; E470-D472 PolarHBondContact O-N 3.21Å
471	N	93.6	Very high	96.5	Very high	115 Å²	115	68 Å²	68	62%	0.615	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	-10.9	-171.7	-48.5	-69.2	0	0	0	116.5	E420 K469	E420-N471 PolarHBondContact OE2-N 3.18Å; K469-N471 PolarHBondContact O-N 3.38Å
472	D	96.7	Very high	96.4	Very high	57 Å²	57	71.2 Å²	71.2	31%	0.305	35%	0.348	S	S	.	.	S	Bend	trans	-74.4	134.4	173	-65.9	-18.6	0	0	0	110.3	R418 Y419 K468 K469 E470 L474	R418-D472 CarbonylContact C-O 3.52Å; R418-D472 VanDerWaalsContact CA-O 3.31Å; R418-D472 WeakPolarHBondContact CA-O 3.35Å; R418-D472 WeakPolarHBondContact CB-O 3.39Å; Y419-D472 PolarHBondContact N-O 3.46Å; K468-D472 VanDerWaalsContact CA-OD2 3.3Å; K468-D472 WeakPolarHBondContact CA-OD2 3.28Å; K468-D472 HydrophobicContact CB-CB 3.92Å; K468-D472 HydrophobicContact CD-CB 4.09Å; K468-D472 HydrophobicContact CG-CB 4.11Å; K469-D472 WeakPolarHBondContact CG-OD2 3.29Å; K469-D472 PolarHBondContact N-OD2 3.05Å; K469-D472 VanDerWaalsContact O-CB 3.31Å; K469-D472 WeakPolarHBondContact O-CB 3.15Å; K469-D472 PolarHBondContact O-N 3.08Å; E470-D472 VanDerWaalsContact C-N 3.27Å; E470-D472 PolarHBondContact O-N 3.21Å; D472-L474 PolarHBondContact O-N 3.03Å
473	D	97.1	Very high	96.3	Very high	69 Å²	69	65.8 Å²	65.8	37%	0.369	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-62.1	133.2	178	-70.6	-36.6	0	0	0	111.5	K468 F475	K468-D473 WeakPolarHBondContact CD-O 3.41Å; K468-D473 WeakPolarHBondContact CE-O 3.47Å; K468-D473 PolarHBondContact NZ-O 3.3Å; D473-F475 VanDerWaalsContact C-N 3.28Å; D473-F475 PolarHBondContact O-N 2.97Å
474	L	97.8	Very high	96.3	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-43.3	172.9	175.8	65.3	0	0	0	110.4	L417 I422 V461 F464 L465 K468 D472	L417-L474 HydrophobicContact CB-CB 4.1Å; L417-L474 HydrophobicContact CB-CD2 4.01Å; L417-L474 HydrophobicContact CD1-CD2 4.23Å; L417-L474 WeakPolarHBondContact O-CB 3.36Å; L417-L474 PolarHBondContact O-N 3.47Å; I422-L474 HydrophobicContact CG1-CD2 3.94Å; V461-L474 HydrophobicContact CG1-CD1 4.21Å; F464-L474 HydrophobicContact CB-CD1 3.95Å; L465-L474 HydrophobicContact CD2-CD1 3.66Å; L465-L474 HydrophobicContact CG-CD1 3.91Å; K468-L474 PolarHBondContact NZ-O 3.33Å; D472-L474 PolarHBondContact O-N 3.03Å
475	F	97.8	Very high	96.2	Very high	1 Å²	1	68.1 Å²	68.1	0%	0.004	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	66.7	179.5	-54.9	-67.6	0	0	0	111.2	Q385 V388 A389 F392 C414 L417 F464 D473 R477 L478	Q385-F475 HydrophobicContact CB-CD1 3.83Å; Q385-F475 HydrophobicContact CG-CD1 4.05Å; V388-F475 HydrophobicContact CB-CE1 4.19Å; V388-F475 HydrophobicContact CG1-CE1 3.97Å; V388-F475 HydrophobicContact CG1-CZ 4.09Å; A389-F475 HydrophobicContact CB-CD2 4.37Å; A389-F475 HydrophobicContact CB-CE1 4.24Å; A389-F475 HydrophobicContact CB-CE2 4.01Å; A389-F475 HydrophobicContact CB-CZ 3.93Å; F392-F475 HydrophobicContact CD2-CE2 4.44Å; F392-F475 AromaticContact CD2-CZ 3.95Å; F392-F475 HydrophobicContact CD2-CZ 3.95Å; F392-F475 AromaticContact CE2-CZ 3.91Å; F392-F475 HydrophobicContact CE2-CZ 3.91Å; C414-F475 VanDerWaalsContact O-CD2 3.26Å; C414-F475 WeakPolarHBondContact O-CD2 3.37Å; C414-F475 WeakPolarHBondContact O-CE2 3.4Å; L417-F475 HydrophobicContact CD1-CE2 4.37Å; F464-F475 HydrophobicContact CD2-CD1 4.2Å; F464-F475 AromaticContact CD2-CE1 3.95Å; F464-F475 HydrophobicContact CD2-CE1 3.95Å; F464-F475 HydrophobicContact CE2-CD1 4.3Å; F464-F475 AromaticContact CE2-CE1 3.89Å; F464-F475 HydrophobicContact CE2-CE1 3.89Å; D473-F475 VanDerWaalsContact C-N 3.28Å; D473-F475 PolarHBondContact O-N 2.97Å; F475-R477 PolarHBondContact O-N 2.82Å; F475-L478 HydrophobicContact CB-CB 3.89Å; F475-L478 HydrophobicContact CB-CD2 4.27Å; F475-L478 HydrophobicContact CG-CD2 4.39Å; F475-L478 PolarHBondContact O-N 3.49Å
476	D	96.3	Very high	96.1	Very high	78 Å²	78	68.1 Å²	68.1	42%	0.417	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-13.1	-175.7	59.7	-68.3	0	0	0	115.5	Q385 K468	Q385-D476 PolarHBondContact NE2-OD1 2.93Å; K468-D476 IonicContact NZ-OD1 2.84Å; K468-D476 PolarHBondContact NZ-OD1 2.82Å
477	R	96.6	Very high	96.1	Very high	152 Å²	152	61.6 Å²	61.6	57%	0.574	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	21.1	-179.5	-45.4	-171.6	-173.2	-167.8	-2	112.7	R382 F475	R382-R477 HydrophobicContact CB-CB 4.16Å; F475-R477 PolarHBondContact O-N 2.82Å
478	L	96.6	Very high	96.1	Very high	15 Å²	15	59.1 Å²	59.1	8%	0.079	28%	0.284	C	S	.	.			trans	-137.5	135.4	-177.9	-174.9	70.7	0	0	0	110.8	R386 A389 F475 V482 L483	R386-L478 HydrophobicContact CB-CD1 3.97Å; R386-L478 HydrophobicContact CG-CD1 4.21Å; A389-L478 HydrophobicContact CB-CD2 3.38Å; F475-L478 HydrophobicContact CB-CB 3.89Å; F475-L478 HydrophobicContact CB-CD2 4.27Å; F475-L478 HydrophobicContact CG-CD2 4.39Å; F475-L478 PolarHBondContact O-N 3.49Å; L478-V482 HydrophobicContact CD1-CB 4.48Å; L478-V482 HydrophobicContact CD1-CG1 4.22Å; L478-L483 HydrophobicContact CD1-CB 4.29Å
479	N	95.4	Very high	96.1	Very high	58 Å²	58	63.9 Å²	63.9	31%	0.31	31%	0.307	S	S	.	.			trans	-132	174.9	164.4	63.1	43.1	0	0	0	110	T481 V482 L483	N479-T481 VanDerWaalsContact C-N 3.3Å; N479-T481 PolarHBondContact O-N 2.96Å; N479-T481 WeakPolarHBondContact OD1-CB 3.27Å; N479-T481 PolarHBondContact OD1-N 3.03Å; N479-T481 VanDerWaalsContact OD1-N 3.13Å; N479-V482 PolarHBondContact O-N 2.65Å; N479-V482 WeakPolarHBondContact OD1-CG2 3.41Å; N479-V482 PolarHBondContact OD1-N 3.22Å; N479-L483 PolarHBondContact O-N 3.03Å
480	T	95.1	Very high	96	Very high	9 Å²	9	59.1 Å²	59.1	6%	0.055	29%	0.288	C	S	.	.	H	α-helix	trans	-68.8	-27.3	-175.7	58	0	0	0	0	113.4	A400 G401 N402 C415 N484	A400-T480 HydrophobicContact CB-CG2 3.78Å; G401-T480 WeakPolarHBondContact O-CG2 3.48Å; N402-T480 VanDerWaalsContact OD1-CB 3.28Å; N402-T480 WeakPolarHBondContact OD1-CB 3.48Å; N402-T480 VanDerWaalsContact OD1-CG2 3.28Å; N402-T480 WeakPolarHBondContact OD1-CG2 3.32Å; N402-T480 PolarHBondContact OD1-OG1 3.24Å; C415-T480 HydrophobicContact CB-CG2 3.92Å; T480-N484 WeakPolarHBondContact O-CB 3.23Å; T480-N484 PolarHBondContact O-N 2.83Å; T480-N484 PolarHBondContact O-ND2 3.12Å
481	T	95.4	Very high	96	Very high	55 Å²	55	54 Å²	54	34%	0.337	27%	0.265	S	S	.	.	H	α-helix	trans	-65.9	-49.7	175.5	-61.5	0	0	0	0	110.1	S30 N479 L483 N484 Q485	S30-T481 PolarHBondContact OG-OG1 3.48Å; S30-T481 VanDerWaalsContact OG-OG1 3.13Å; N479-T481 VanDerWaalsContact C-N 3.3Å; N479-T481 PolarHBondContact O-N 2.96Å; N479-T481 WeakPolarHBondContact OD1-CB 3.27Å; N479-T481 PolarHBondContact OD1-N 3.03Å; N479-T481 VanDerWaalsContact OD1-N 3.13Å; T481-L483 PolarHBondContact O-N 2.93Å; T481-N484 PolarHBondContact O-N 2.85Å; T481-Q485 WeakPolarHBondContact O-CB 3.38Å; T481-Q485 PolarHBondContact O-N 3.11Å
482	V	95.2	Very high	95.9	Very high	68 Å²	68	55.7 Å²	55.7	41%	0.412	27%	0.273	S	S	.	.	H	α-helix	trans	-61	-44.2	176.9	175	0	0	0	0	111.3	L478 N479 Q485 Y486	L478-V482 HydrophobicContact CD1-CB 4.48Å; L478-V482 HydrophobicContact CD1-CG1 4.22Å; N479-V482 PolarHBondContact O-N 2.65Å; N479-V482 WeakPolarHBondContact OD1-CG2 3.41Å; N479-V482 PolarHBondContact OD1-N 3.22Å; V482-Q485 PolarHBondContact O-N 2.91Å; V482-Y486 PolarHBondContact O-N 2.62Å
483	L	96.7	Very high	95.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-48	177.6	178.4	65.9	0	0	0	112	R386 L390 I393 L478 N479 T481 Q485 Y486 L487 A496	R386-L483 HydrophobicContact CG-CD1 4.09Å; L390-L483 HydrophobicContact CB-CD1 4.43Å; I393-L483 HydrophobicContact CD1-CD2 3.42Å; I393-L483 VanDerWaalsContact CD1-CD2 3.42Å; L478-L483 HydrophobicContact CD1-CB 4.29Å; N479-L483 PolarHBondContact O-N 3.03Å; T481-L483 PolarHBondContact O-N 2.93Å; L483-Q485 VanDerWaalsContact C-N 3.35Å; L483-Y486 PolarHBondContact O-N 2.96Å; L483-L487 HydrophobicContact CG-CD1 4.2Å; L483-L487 WeakPolarHBondContact O-CG 3.49Å; L483-L487 PolarHBondContact O-N 2.72Å; L483-A496 HydrophobicContact CD2-CB 4.12Å
484	N	96.2	Very high	95.6	Very high	22 Å²	22	51.5 Å²	51.5	12%	0.118	26%	0.26	C	S	.	.	H	α-helix	trans	-72.1	-28.3	-177.9	-72.4	-54.7	0	0	0	112.8	T480 T481 L487 R488 T495 A496	T480-N484 WeakPolarHBondContact O-CB 3.23Å; T480-N484 PolarHBondContact O-N 2.83Å; T480-N484 PolarHBondContact O-ND2 3.12Å; T481-N484 PolarHBondContact O-N 2.85Å; N484-L487 PolarHBondContact O-N 3.3Å; N484-R488 WeakPolarHBondContact O-CG 3.36Å; N484-R488 PolarHBondContact O-N 3.41Å; N484-R488 PolarHBondContact O-NE 3Å; N484-T495 HydrophobicContact CB-CG2 4.41Å; N484-T495 VanDerWaalsContact OD1-CA 3.25Å; N484-T495 WeakPolarHBondContact OD1-CA 3.47Å; N484-T495 VanDerWaalsContact OD1-CB 3.28Å; N484-T495 WeakPolarHBondContact OD1-CB 3.46Å; N484-A496 PolarHBondContact OD1-N 3.41Å
485	Q	96	Very high	95.5	Very high	101 Å²	101	52.2 Å²	52.2	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-61.1	-52.1	170.6	-179.1	172	-0.1	0	0	110.8	T481 V482 L483 L487 R488 E489	T481-Q485 WeakPolarHBondContact O-CB 3.38Å; T481-Q485 PolarHBondContact O-N 3.11Å; V482-Q485 PolarHBondContact O-N 2.91Å; L483-Q485 VanDerWaalsContact C-N 3.35Å; Q485-L487 VanDerWaalsContact C-N 3.28Å; Q485-L487 PolarHBondContact O-N 2.85Å; Q485-R488 PolarHBondContact O-N 3.03Å; Q485-R488 VanDerWaalsContact O-N 3.16Å; Q485-E489 PolarHBondContact O-N 2.91Å
486	Y	96.2	Very high	95.4	Very high	24 Å²	24	52.3 Å²	52.3	9%	0.094	27%	0.265	C	S	.	.	H	α-helix	trans	-56.7	-42	174.8	172.3	-112.6	0	0	0	112.5	R386 L390 V482 L483 R488 E489 L490	R386-Y486 HydrophobicContact CG-CD1 4.18Å; R386-Y486 VanDerWaalsContact CZ-CD2 3.47Å; R386-Y486 VanDerWaalsContact CZ-CE2 3.4Å; L390-Y486 HydrophobicContact CD2-CE1 4.08Å; V482-Y486 PolarHBondContact O-N 2.62Å; L483-Y486 PolarHBondContact O-N 2.96Å; Y486-R488 PolarHBondContact O-N 3.09Å; Y486-E489 WeakPolarHBondContact O-CB 3.25Å; Y486-E489 PolarHBondContact O-N 3.04Å; Y486-L490 HydrophobicContact CD1-CD1 4.2Å; Y486-L490 HydrophobicContact CE1-CD1 3.62Å; Y486-L490 HydrophobicContact CE1-CG 4.43Å; Y486-L490 HydrophobicContact CE2-CD1 4.34Å; Y486-L490 HydrophobicContact CE2-CD2 4.19Å; Y486-L490 HydrophobicContact CE2-CG 4.35Å; Y486-L490 WeakPolarHBondContact O-CG 3.4Å; Y486-L490 PolarHBondContact O-N 2.92Å
487	L	97	Very high	95.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-40.5	178.7	-72.9	176.9	0	0	0	112.8	L390 L483 N484 Q485 E489 L490 M491 L494 A496 F499	L390-L487 HydrophobicContact CD1-CD2 3.84Å; L390-L487 HydrophobicContact CD2-CD2 4.02Å; L483-L487 HydrophobicContact CG-CD1 4.2Å; L483-L487 WeakPolarHBondContact O-CG 3.49Å; L483-L487 PolarHBondContact O-N 2.72Å; N484-L487 PolarHBondContact O-N 3.3Å; Q485-L487 VanDerWaalsContact C-N 3.28Å; Q485-L487 PolarHBondContact O-N 2.85Å; L487-E489 VanDerWaalsContact C-N 3.28Å; L487-E489 PolarHBondContact O-N 2.97Å; L487-L490 HydrophobicContact CD2-CD1 4.34Å; L487-L490 WeakPolarHBondContact O-CB 3.32Å; L487-L490 PolarHBondContact O-N 3.45Å; L487-L490 VanDerWaalsContact O-N 3.08Å; L487-M491 PolarHBondContact O-N 3.38Å; L487-L494 HydrophobicContact CB-CB 4.35Å; L487-L494 HydrophobicContact CB-CD2 4.22Å; L487-L494 HydrophobicContact CB-CG 4.03Å; L487-L494 HydrophobicContact CD2-CD2 3.97Å; L487-L494 HydrophobicContact CD2-CG 4.37Å; L487-L494 WeakPolarHBondContact O-CB 3.39Å; L487-A496 HydrophobicContact CD1-CB 4.24Å; L487-A496 VanDerWaalsContact CD1-N 3.34Å; L487-F499 HydrophobicContact CD1-CE2 4.15Å; L487-F499 HydrophobicContact CD2-CE2 3.75Å; L487-F499 HydrophobicContact CD2-CZ 4.15Å
488	R	95.2	Very high	95.4	Very high	102 Å²	102	47.4 Å²	47.4	39%	0.385	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-33.2	176.4	-74.9	-179.3	-67.5	-161.8	4.7	112.7	N484 Q485 Y486 L490 M491 L494	N484-R488 WeakPolarHBondContact O-CG 3.36Å; N484-R488 PolarHBondContact O-N 3.41Å; N484-R488 PolarHBondContact O-NE 3Å; Q485-R488 PolarHBondContact O-N 3.03Å; Q485-R488 VanDerWaalsContact O-N 3.16Å; Y486-R488 PolarHBondContact O-N 3.09Å; R488-L490 PolarHBondContact O-N 2.87Å; R488-M491 CarbonylContact O-C 3.57Å; R488-M491 PolarHBondContact O-N 2.68Å; R488-L494 WeakPolarHBondContact CG-O 3.47Å
489	E	95.4	Very high	95.4	Very high	136 Å²	136	46.7 Å²	46.7	64%	0.636	24%	0.241	S	C	*	.	H	α-helix	trans	-65.4	-26.7	173.9	-66.2	165.5	-170.8	0	0	112.3	Q485 Y486 L487	Q485-E489 PolarHBondContact O-N 2.91Å; Y486-E489 WeakPolarHBondContact O-CB 3.25Å; Y486-E489 PolarHBondContact O-N 3.04Å; L487-E489 VanDerWaalsContact C-N 3.28Å; L487-E489 PolarHBondContact O-N 2.97Å
490	L	95	Very high	95.5	Very high	48 Å²	48	44.4 Å²	44.4	25%	0.251	23%	0.228	S	C	.	.	H	α-helix	trans	-83.6	-31.8	178.4	-60.3	176.4	0	0	0	113.2	I368 Y486 L487 R488	I368-L490 HydrophobicContact CD1-CB 4.31Å; I368-L490 HydrophobicContact CD1-CD1 4.31Å; I368-L490 HydrophobicContact CG1-CB 4.43Å; I368-L490 HydrophobicContact CG1-CD1 4.07Å; I368-L490 HydrophobicContact CG2-CD1 4.08Å; Y486-L490 HydrophobicContact CD1-CD1 4.2Å; Y486-L490 HydrophobicContact CE1-CD1 3.62Å; Y486-L490 HydrophobicContact CE1-CG 4.43Å; Y486-L490 HydrophobicContact CE2-CD1 4.34Å; Y486-L490 HydrophobicContact CE2-CD2 4.19Å; Y486-L490 HydrophobicContact CE2-CG 4.35Å; Y486-L490 WeakPolarHBondContact O-CG 3.4Å; Y486-L490 PolarHBondContact O-N 2.92Å; L487-L490 HydrophobicContact CD2-CD1 4.34Å; L487-L490 WeakPolarHBondContact O-CB 3.32Å; L487-L490 PolarHBondContact O-N 3.45Å; L487-L490 VanDerWaalsContact O-N 3.08Å; R488-L490 PolarHBondContact O-N 2.87Å
491	M	94.1	Very high	95.6	Very high	25 Å²	25	44.4 Å²	44.4	12%	0.123	23%	0.228	C	C	.	.	S	Bend	trans	-162.9	131.2	179.3	177.8	-170.9	105.5	0	0	109.4	T357 C360 L361 V364 L487 R488 G493 L494	T357-M491 HydrophobicContact CG2-CE 3.62Å; T357-M491 VanDerWaalsContact O-CE 3.31Å; T357-M491 WeakPolarHBondContact O-CE 3.36Å; C360-M491 HydrophobicContact CB-CE 4.18Å; C360-M491 HydrophobicContact CB-SD 3.97Å; L361-M491 VanDerWaalsContact CA-SD 3.59Å; L361-M491 HydrophobicContact CB-CE 4.18Å; L361-M491 HydrophobicContact CB-SD 4.17Å; L361-M491 PolarHBondContact N-SD 3.2Å; V364-M491 HydrophobicContact CG2-CB 4.43Å; V364-M491 HydrophobicContact CG2-SD 3.91Å; L487-M491 PolarHBondContact O-N 3.38Å; R488-M491 CarbonylContact O-C 3.57Å; R488-M491 PolarHBondContact O-N 2.68Å; M491-G493 PolarHBondContact O-N 3.43Å; M491-L494 HydrophobicContact CB-CB 3.94Å; M491-L494 HydrophobicContact CB-CD2 4.06Å; M491-L494 HydrophobicContact CE-CB 3.91Å; M491-L494 HydrophobicContact CE-CD1 3.77Å; M491-L494 HydrophobicContact CE-CG 4.33Å; M491-L494 HydrophobicContact CG-CB 4.44Å; M491-L494 WeakPolarHBondContact O-CB 3.45Å; M491-L494 PolarHBondContact O-N 2.95Å
492	D	91.6	Very high	95.7	Very high	150 Å²	150	41.9 Å²	41.9	80%	0.802	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	140.8	178.2	-176.1	37.5	0	0	0	112	L494	D492-L494 PolarHBondContact O-N 2.96Å; D492-L494 VanDerWaalsContact O-N 3.09Å
493	G	90.6	Very high	95.8	Very high	37 Å²	37	38.9 Å²	38.9	38%	0.381	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	-3.8	-174	0	0	0	0	0	115.9	M491 T495	M491-G493 PolarHBondContact O-N 3.43Å; G493-T495 PolarHBondContact O-N 3.26Å
494	L	96.2	Very high	95.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.			trans	-69.5	129.9	-177.4	-170.2	60.3	0	0	0	111.6	L361 I368 L487 R488 M491 D492 V498 F499	L361-L494 HydrophobicContact CB-CD1 4.4Å; L361-L494 HydrophobicContact CD1-CD1 3.82Å; L361-L494 HydrophobicContact CD1-CD2 4.1Å; L361-L494 HydrophobicContact CD2-CD1 4.01Å; L361-L494 HydrophobicContact CG-CD1 4.3Å; I368-L494 HydrophobicContact CD1-CD2 3.74Å; L487-L494 HydrophobicContact CB-CB 4.35Å; L487-L494 HydrophobicContact CB-CD2 4.22Å; L487-L494 HydrophobicContact CB-CG 4.03Å; L487-L494 HydrophobicContact CD2-CD2 3.97Å; L487-L494 HydrophobicContact CD2-CG 4.37Å; L487-L494 WeakPolarHBondContact O-CB 3.39Å; R488-L494 WeakPolarHBondContact CG-O 3.47Å; M491-L494 HydrophobicContact CB-CB 3.94Å; M491-L494 HydrophobicContact CB-CD2 4.06Å; M491-L494 HydrophobicContact CE-CB 3.91Å; M491-L494 HydrophobicContact CE-CD1 3.77Å; M491-L494 HydrophobicContact CE-CG 4.33Å; M491-L494 HydrophobicContact CG-CB 4.44Å; M491-L494 WeakPolarHBondContact O-CB 3.45Å; M491-L494 PolarHBondContact O-N 2.95Å; D492-L494 PolarHBondContact O-N 2.96Å; D492-L494 VanDerWaalsContact O-N 3.09Å; L494-V498 HydrophobicContact CD1-CB 3.8Å; L494-V498 HydrophobicContact CD1-CG1 3.86Å; L494-V498 HydrophobicContact CD1-CG2 4.25Å; L494-F499 HydrophobicContact CD1-CE2 4.08Å; L494-F499 HydrophobicContact CD2-CE2 4.26Å; L494-F499 HydrophobicContact CG-CE2 4.33Å
495	T	96.4	Very high	96	Very high	15 Å²	15	37.8 Å²	37.8	9%	0.092	19%	0.188	C	C	.	.			trans	-143.7	163.4	176.2	50.3	0	0	0	0	109.3	N484 G493 K497 V498	N484-T495 HydrophobicContact CB-CG2 4.41Å; N484-T495 VanDerWaalsContact OD1-CA 3.25Å; N484-T495 WeakPolarHBondContact OD1-CA 3.47Å; N484-T495 VanDerWaalsContact OD1-CB 3.28Å; N484-T495 WeakPolarHBondContact OD1-CB 3.46Å; G493-T495 PolarHBondContact O-N 3.26Å; T495-K497 PolarHBondContact O-N 3.18Å; T495-K497 WeakPolarHBondContact OG1-CE 3.49Å; T495-K497 WeakPolarHBondContact OG1-CG 3.48Å; T495-V498 WeakPolarHBondContact O-CB 3.26Å; T495-V498 WeakPolarHBondContact O-CG2 3.46Å; T495-V498 PolarHBondContact O-N 2.89Å
496	A	96.3	Very high	96.1	Very high	3 Å²	3	35.8 Å²	35.8	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-55.4	-30.1	-178.8	0	0	0	0	0	113.4	I393 A400 L483 N484 L487 V498	I393-A496 HydrophobicContact CD1-CB 4.08Å; I393-A496 HydrophobicContact CG2-CB 4.48Å; A400-A496 HydrophobicContact CB-CB 3.74Å; L483-A496 HydrophobicContact CD2-CB 4.12Å; N484-A496 PolarHBondContact OD1-N 3.41Å; L487-A496 HydrophobicContact CD1-CB 4.24Å; L487-A496 VanDerWaalsContact CD1-N 3.34Å; A496-V498 VanDerWaalsContact C-N 3.27Å; A496-V498 PolarHBondContact O-N 3.37Å
497	K	95.2	Very high	96.1	Very high	119 Å²	119	35.6 Å²	35.6	52%	0.517	18%	0.178	S	C	.	.	H	α-helix	trans	-64.2	-29.2	175.7	59.3	170.8	-175.5	-177.8	0	113.3	L29 T495 F499 R500 T501	L29-K497 HydrophobicContact CD2-CD 4.01Å; T495-K497 PolarHBondContact O-N 3.18Å; T495-K497 WeakPolarHBondContact OG1-CE 3.49Å; T495-K497 WeakPolarHBondContact OG1-CG 3.48Å; K497-F499 VanDerWaalsContact C-N 3.34Å; K497-F499 PolarHBondContact O-N 2.85Å; K497-R500 PolarHBondContact O-N 3.11Å; K497-T501 PolarHBondContact O-N 3.25Å
498	V	96.9	Very high	96.2	Very high	9 Å²	9	35.6 Å²	35.6	6%	0.055	18%	0.178	C	C	.	.	H	α-helix	trans	-66.4	-39.1	-176.3	-178.7	0	0	0	0	110.3	T357 A358 L361 L494 T495 A496 R500 T501 Y502	T357-V498 HydrophobicContact CG2-CG1 4.1Å; T357-V498 HydrophobicContact CG2-CG2 3.99Å; A358-V498 HydrophobicContact CB-CG1 4.19Å; L361-V498 HydrophobicContact CB-CG1 4.2Å; L361-V498 HydrophobicContact CD2-CG1 3.86Å; L494-V498 HydrophobicContact CD1-CB 3.8Å; L494-V498 HydrophobicContact CD1-CG1 3.86Å; L494-V498 HydrophobicContact CD1-CG2 4.25Å; T495-V498 WeakPolarHBondContact O-CB 3.26Å; T495-V498 WeakPolarHBondContact O-CG2 3.46Å; T495-V498 PolarHBondContact O-N 2.89Å; A496-V498 VanDerWaalsContact C-N 3.27Å; A496-V498 PolarHBondContact O-N 3.37Å; V498-R500 PolarHBondContact O-N 2.93Å; V498-T501 PolarHBondContact O-N 3.45Å; V498-T501 VanDerWaalsContact O-N 3.12Å; V498-Y502 WeakPolarHBondContact O-CB 3.28Å; V498-Y502 PolarHBondContact O-N 3.44Å
499	F	97.9	Very high	96.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-55.4	-39.4	175.1	-76.4	-94.3	0	0	0	112.3	L361 I365 I368 L390 I393 D394 L487 L494 K497 Y502 N503	L361-F499 HydrophobicContact CD1-CE1 4.45Å; L361-F499 HydrophobicContact CD1-CZ 4.19Å; L361-F499 HydrophobicContact CD2-CD1 4.15Å; L361-F499 HydrophobicContact CD2-CD2 4.3Å; L361-F499 HydrophobicContact CD2-CE1 4.27Å; L361-F499 HydrophobicContact CD2-CE2 4.39Å; L361-F499 HydrophobicContact CD2-CG 4.16Å; L361-F499 HydrophobicContact CD2-CZ 4.37Å; I365-F499 HydrophobicContact CD1-CD1 4.24Å; I365-F499 HydrophobicContact CD1-CE1 3.63Å; I365-F499 HydrophobicContact CD1-CZ 4.46Å; I368-F499 HydrophobicContact CG2-CZ 4.28Å; L390-F499 HydrophobicContact CD1-CD2 4.42Å; L390-F499 HydrophobicContact CD1-CE1 4.18Å; L390-F499 HydrophobicContact CD1-CE2 3.84Å; L390-F499 HydrophobicContact CD1-CZ 3.71Å; I393-F499 HydrophobicContact CG2-CB 3.77Å; I393-F499 HydrophobicContact CG2-CD2 4.35Å; I393-F499 HydrophobicContact CG2-CG 4.07Å; D394-F499 HydrophobicContact CB-CD1 3.94Å; D394-F499 HydrophobicContact CB-CE1 4.16Å; L487-F499 HydrophobicContact CD1-CE2 4.15Å; L487-F499 HydrophobicContact CD2-CE2 3.75Å; L487-F499 HydrophobicContact CD2-CZ 4.15Å; L494-F499 HydrophobicContact CD1-CE2 4.08Å; L494-F499 HydrophobicContact CD2-CE2 4.26Å; L494-F499 HydrophobicContact CG-CE2 4.33Å; K497-F499 VanDerWaalsContact C-N 3.34Å; K497-F499 PolarHBondContact O-N 2.85Å; F499-Y502 PolarHBondContact O-N 3.05Å; F499-N503 VanDerWaalsContact O-CB 3.27Å; F499-N503 WeakPolarHBondContact O-CB 3.44Å; F499-N503 PolarHBondContact O-N 3.46Å; F499-N503 PolarHBondContact O-ND2 2.85Å; F499-N503 VanDerWaalsContact O-ND2 3.11Å
500	R	96.6	Very high	96.4	Very high	10 Å²	10	28.7 Å²	28.7	4%	0.038	15%	0.15	C	C	.	.	H	α-helix	trans	-70.1	-40.1	179.1	-168.2	172.6	171.3	-165.6	10.9	112.3	A397 R399 K497 V498 A504 C540 H542 Y633	A397-R500 HydrophobicContact CB-CG 4.37Å; R399-R500 VanDerWaalsContact CG-NH1 3.3Å; R399-R500 VanDerWaalsContact NH2-NH2 3.13Å; K497-R500 PolarHBondContact O-N 3.11Å; V498-R500 PolarHBondContact O-N 2.93Å; R500-A504 WeakPolarHBondContact O-CB 3.36Å; R500-A504 PolarHBondContact O-N 3.07Å; R500-C540 PolarHBondContact NH2-O 3.4Å; R500-H542 PolarHBondContact NH2-CD2 3.07Å; R500-H542 PolarHBondContact NH2-NE2 2.93Å; R500-Y633 HydrophobicContact CG-CD1 3.94Å; R500-Y633 HydrophobicContact CG-CE1 3.98Å; R500-Y633 PolarHBondContact NH1-OH 3.42Å; R500-Y633 VanDerWaalsContact NH1-OH 3.12Å
501	T	97.1	Very high	96.6	Very high	9 Å²	9	28.1 Å²	28.1	6%	0.055	15%	0.146	C	C	.	.	H	α-helix	trans	-64	-45.6	173.1	-55.3	0	0	0	0	111.3	Y355 A358 K497 V498 A504 S505	Y355-T501 HydrophobicContact CD1-CG2 3.71Å; Y355-T501 HydrophobicContact CE1-CG2 3.79Å; A358-T501 HydrophobicContact CB-CG2 3.9Å; K497-T501 PolarHBondContact O-N 3.25Å; V498-T501 PolarHBondContact O-N 3.45Å; V498-T501 VanDerWaalsContact O-N 3.12Å; T501-A504 PolarHBondContact O-N 3.3Å; T501-S505 WeakPolarHBondContact O-CB 3.48Å; T501-S505 PolarHBondContact O-N 3.49Å; T501-S505 PolarHBondContact O-OG 2.85Å
502	Y	97.9	Very high	96.7	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-59.6	-54.8	177.9	166.1	-107.3	0	0	0	111.6	A358 L361 H362 I365 V498 F499 A504 S505 R506 F675 L676	A358-Y502 WeakPolarHBondContact O-CD2 3.32Å; L361-Y502 HydrophobicContact CD2-CD1 4.16Å; L361-Y502 HydrophobicContact CD2-CG 4Å; L361-Y502 HydrophobicContact CG-CG 4.4Å; H362-Y502 HydrophobicContact CB-CD2 4.29Å; H362-Y502 HydrophobicContact CB-CE2 3.64Å; H362-Y502 AromaticContact CG-CE2 3.86Å; H362-Y502 AromaticContact ND1-CE2 3.46Å; H362-Y502 WeakPolarHBondContact ND1-CE2 3.49Å; H362-Y502 AromaticContact ND1-CZ 3.67Å; H362-Y502 PolarHBondContact ND1-OH 3.14Å; I365-Y502 HydrophobicContact CD1-CE1 4.26Å; I365-Y502 HydrophobicContact CG1-CE1 3.94Å; V498-Y502 WeakPolarHBondContact O-CB 3.28Å; V498-Y502 PolarHBondContact O-N 3.44Å; F499-Y502 PolarHBondContact O-N 3.05Å; Y502-A504 VanDerWaalsContact C-N 3.34Å; Y502-A504 PolarHBondContact O-N 3.05Å; Y502-S505 PolarHBondContact O-N 3.06Å; Y502-R506 WeakPolarHBondContact O-CB 3.21Å; Y502-R506 PolarHBondContact O-N 2.87Å; Y502-F675 AromaticContact CD2-CE1 3.85Å; Y502-F675 HydrophobicContact CD2-CE1 3.85Å; Y502-F675 HydrophobicContact CD2-CZ 4.18Å; Y502-F675 HydrophobicContact CE2-CE1 4.27Å; Y502-L676 HydrophobicContact CE2-CD2 4.33Å
503	N	97.9	Very high	96.9	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.027	14%	0.136	C	C	.	.	H	α-helix	trans	-62.8	-40.5	-179.7	-77	-40.9	0	0	0	111.9	D394 F499 T507 L539	D394-N503 PolarHBondContact O-ND2 2.85Å; F499-N503 VanDerWaalsContact O-CB 3.27Å; F499-N503 WeakPolarHBondContact O-CB 3.44Å; F499-N503 PolarHBondContact O-N 3.46Å; F499-N503 PolarHBondContact O-ND2 2.85Å; F499-N503 VanDerWaalsContact O-ND2 3.11Å; N503-T507 VanDerWaalsContact O-CB 3.24Å; N503-T507 WeakPolarHBondContact O-CB 3.47Å; N503-T507 PolarHBondContact O-N 3.18Å; N503-T507 PolarHBondContact O-OG1 3.17Å; N503-L539 HydrophobicContact CB-CD2 4.12Å
504	A	98.1	Very high	97.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-47.6	176.6	0	0	0	0	0	112.2	R500 T501 Y502 L508 V536 L634	R500-A504 WeakPolarHBondContact O-CB 3.36Å; R500-A504 PolarHBondContact O-N 3.07Å; T501-A504 PolarHBondContact O-N 3.3Å; Y502-A504 VanDerWaalsContact C-N 3.34Å; Y502-A504 PolarHBondContact O-N 3.05Å; A504-L508 PolarHBondContact O-N 3.4Å; A504-V536 HydrophobicContact CB-CG1 3.62Å; A504-V536 WeakPolarHBondContact O-CG2 3.47Å; A504-L634 HydrophobicContact CB-CD2 4.1Å; A504-L634 WeakPolarHBondContact O-CD2 3.22Å
505	S	98.1	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67	-45.8	-179.6	-63.7	0	0	0	0	111.7	T501 Y502 T507 L508 E509 Y633 D635 I638	T501-S505 WeakPolarHBondContact O-CB 3.48Å; T501-S505 PolarHBondContact O-N 3.49Å; T501-S505 PolarHBondContact O-OG 2.85Å; Y502-S505 PolarHBondContact O-N 3.06Å; S505-T507 PolarHBondContact O-N 2.93Å; S505-L508 WeakPolarHBondContact O-CB 3.14Å; S505-L508 PolarHBondContact O-N 3.3Å; S505-E509 PolarHBondContact O-N 2.86Å; S505-Y633 PolarHBondContact OG-O 3.26Å; S505-D635 PolarHBondContact OG-N 3.37Å; S505-I638 WeakPolarHBondContact O-CD1 3.41Å
506	R	97.5	Very high	97.3	Very high	58 Å²	58	35.4 Å²	35.4	22%	0.219	16%	0.159	C	C	.	.	H	α-helix	trans	-57	-49.8	174.1	179.5	175.2	79.3	123.3	14.5	112	Y502 L508 E509 E510 L676	Y502-R506 WeakPolarHBondContact O-CB 3.21Å; Y502-R506 PolarHBondContact O-N 2.87Å; R506-L508 VanDerWaalsContact C-N 3.28Å; R506-L508 PolarHBondContact O-N 2.94Å; R506-E509 PolarHBondContact O-N 3.18Å; R506-E510 WeakPolarHBondContact CD-OE1 3.3Å; R506-E510 HydrophobicContact CG-CG 4.23Å; R506-E510 VanDerWaalsContact CG-OE1 3.26Å; R506-E510 WeakPolarHBondContact CG-OE1 3.46Å; R506-E510 IonicContact CZ-OE1 3.27Å; R506-E510 IonicContact NE-OE1 3Å; R506-E510 IonicContact NH1-OE1 2.82Å; R506-E510 WeakPolarHBondContact O-CG 3.48Å; R506-E510 PolarHBondContact O-N 3.23Å; R506-L676 HydrophobicContact CB-CD2 3.99Å; R506-L676 HydrophobicContact CG-CD1 4.07Å; R506-L676 HydrophobicContact CG-CD2 3.72Å; R506-L676 HydrophobicContact CG-CG 4.43Å
507	T	97.8	Very high	97.3	Very high	20 Å²	20	38.5 Å²	38.5	12%	0.123	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-36.4	178.9	-66	0	0	0	0	111.5	N503 S505 Q511 A535 V536	N503-T507 VanDerWaalsContact O-CB 3.24Å; N503-T507 WeakPolarHBondContact O-CB 3.47Å; N503-T507 PolarHBondContact O-N 3.18Å; N503-T507 PolarHBondContact O-OG1 3.17Å; S505-T507 PolarHBondContact O-N 2.93Å; T507-Q511 HydrophobicContact CG2-CG 3.98Å; T507-Q511 WeakPolarHBondContact O-CB 3.22Å; T507-Q511 WeakPolarHBondContact O-CG 3.32Å; T507-Q511 PolarHBondContact O-N 3.32Å; T507-A535 HydrophobicContact CG2-CB 4.29Å; T507-V536 HydrophobicContact CG2-CG2 3.94Å
508	L	98.2	Very high	97.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.4	-50.4	173.8	-176.7	70.2	0	0	0	111.2	A504 S505 R506 Q511 L512 A532 N533 V536 L634 I638	A504-L508 PolarHBondContact O-N 3.4Å; S505-L508 WeakPolarHBondContact O-CB 3.14Å; S505-L508 PolarHBondContact O-N 3.3Å; R506-L508 VanDerWaalsContact C-N 3.28Å; R506-L508 PolarHBondContact O-N 2.94Å; L508-Q511 PolarHBondContact O-N 3.05Å; L508-L512 HydrophobicContact CD1-CD1 4.13Å; L508-L512 HydrophobicContact CD1-CG 4.18Å; L508-L512 HydrophobicContact CD2-CD1 4.33Å; L508-L512 HydrophobicContact CG-CD1 3.84Å; L508-L512 HydrophobicContact CG-CG 4.25Å; L508-L512 WeakPolarHBondContact O-CB 3.47Å; L508-L512 VanDerWaalsContact O-CG 3.26Å; L508-L512 WeakPolarHBondContact O-CG 3.41Å; L508-L512 PolarHBondContact O-N 3.12Å; L508-A532 HydrophobicContact CD1-CB 4.06Å; L508-N533 HydrophobicContact CD1-CB 4.44Å; L508-V536 HydrophobicContact CB-CG2 3.99Å; L508-L634 HydrophobicContact CB-CD2 3.71Å; L508-L634 HydrophobicContact CD1-CD1 4.26Å; L508-L634 HydrophobicContact CD2-CB 4.17Å; L508-L634 HydrophobicContact CD2-CD1 3.81Å; L508-L634 HydrophobicContact CD2-CD2 3.96Å; L508-L634 HydrophobicContact CD2-CG 4.18Å; L508-L634 HydrophobicContact CG-CD1 4.46Å; L508-L634 HydrophobicContact CG-CD2 4.34Å; L508-I638 HydrophobicContact CD2-CB 4.29Å; L508-I638 HydrophobicContact CD2-CG2 3.95Å; L508-I638 HydrophobicContact CG-CG2 4.28Å
509	E	97.6	Very high	97.1	Very high	23 Å²	23	43.1 Å²	43.1	11%	0.107	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-53.3	-179.5	-177.8	160.2	-73.4	0	0	111.8	S505 R506 Q511 L512 E513 I638 F675 L676	S505-E509 PolarHBondContact O-N 2.86Å; R506-E509 PolarHBondContact O-N 3.18Å; E509-Q511 VanDerWaalsContact C-N 3.3Å; E509-Q511 PolarHBondContact O-N 3.46Å; E509-L512 PolarHBondContact O-N 2.89Å; E509-E513 PolarHBondContact O-N 2.84Å; E509-I638 HydrophobicContact CB-CD1 4.4Å; E509-I638 HydrophobicContact CB-CG2 4.22Å; E509-F675 WeakPolarHBondContact OE1-CB 3.41Å; E509-F675 PolarHBondContact OE1-N 3Å; E509-F675 PolarHBondContact OE2-N 3.3Å; E509-L676 WeakPolarHBondContact OE2-CB 3.2Å; E509-L676 WeakPolarHBondContact OE2-CD1 3.43Å; E509-L676 WeakPolarHBondContact OE2-CG 3.45Å; E509-L676 PolarHBondContact OE2-N 3.1Å; E509-L676 VanDerWaalsContact OE2-N 3.09Å
510	E	97.4	Very high	96.9	Very high	71 Å²	71	45.4 Å²	45.4	33%	0.332	22%	0.222	S	C	.	.	H	α-helix	trans	-58.1	-40.9	178.1	-69.9	170.2	173.4	0	0	111.8	R506 R514	R506-E510 WeakPolarHBondContact CD-OE1 3.3Å; R506-E510 HydrophobicContact CG-CG 4.23Å; R506-E510 VanDerWaalsContact CG-OE1 3.26Å; R506-E510 WeakPolarHBondContact CG-OE1 3.46Å; R506-E510 IonicContact CZ-OE1 3.27Å; R506-E510 IonicContact NE-OE1 3Å; R506-E510 IonicContact NH1-OE1 2.82Å; R506-E510 WeakPolarHBondContact O-CG 3.48Å; R506-E510 PolarHBondContact O-N 3.23Å; E510-R514 WeakPolarHBondContact O-CB 3.42Å; E510-R514 PolarHBondContact O-N 2.87Å
511	Q	98.1	Very high	96.6	Very high	36 Å²	36	47.7 Å²	47.7	17%	0.168	24%	0.238	C	C	.	.	H	α-helix	trans	-74.8	-34.8	-179.5	-67.9	-65.9	-51.7	0	0	112.6	T507 L508 E509 R514 L515 A532 A535	T507-Q511 HydrophobicContact CG2-CG 3.98Å; T507-Q511 WeakPolarHBondContact O-CB 3.22Å; T507-Q511 WeakPolarHBondContact O-CG 3.32Å; T507-Q511 PolarHBondContact O-N 3.32Å; L508-Q511 PolarHBondContact O-N 3.05Å; E509-Q511 VanDerWaalsContact C-N 3.3Å; E509-Q511 PolarHBondContact O-N 3.46Å; Q511-R514 PolarHBondContact O-N 2.92Å; Q511-L515 HydrophobicContact CB-CD1 4.32Å; Q511-L515 WeakPolarHBondContact O-CB 3.47Å; Q511-L515 VanDerWaalsContact O-CG 3.24Å; Q511-L515 WeakPolarHBondContact O-CG 3.43Å; Q511-L515 PolarHBondContact O-N 2.91Å; Q511-A532 HydrophobicContact CB-CB 3.58Å; Q511-A535 HydrophobicContact CG-CB 3.99Å
512	L	97.8	Very high	96.3	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-41.8	174.3	-73.8	175.7	0	0	0	110.9	L508 E509 T516 Y529 A532 I638 W642	L508-L512 HydrophobicContact CD1-CD1 4.13Å; L508-L512 HydrophobicContact CD1-CG 4.18Å; L508-L512 HydrophobicContact CD2-CD1 4.33Å; L508-L512 HydrophobicContact CG-CD1 3.84Å; L508-L512 HydrophobicContact CG-CG 4.25Å; L508-L512 WeakPolarHBondContact O-CB 3.47Å; L508-L512 VanDerWaalsContact O-CG 3.26Å; L508-L512 WeakPolarHBondContact O-CG 3.41Å; L508-L512 PolarHBondContact O-N 3.12Å; E509-L512 PolarHBondContact O-N 2.89Å; L512-T516 WeakPolarHBondContact O-CB 3.27Å; L512-T516 PolarHBondContact O-N 3.4Å; L512-T516 VanDerWaalsContact O-N 3.1Å; L512-T516 PolarHBondContact O-OG1 2.66Å; L512-Y529 HydrophobicContact CD1-CD2 4.43Å; L512-Y529 HydrophobicContact CD1-CE2 4.48Å; L512-Y529 HydrophobicContact CD2-CD2 3.76Å; L512-Y529 HydrophobicContact CD2-CG 4.25Å; L512-A532 HydrophobicContact CD2-CB 3.73Å; L512-A532 HydrophobicContact CG-CB 3.97Å; L512-I638 HydrophobicContact CD1-CG2 3.99Å; L512-W642 HydrophobicContact CD1-CB 4.16Å; L512-W642 HydrophobicContact CD1-CG 4.04Å; L512-W642 HydrophobicContact CD2-CD2 4.41Å; L512-W642 HydrophobicContact CD2-CG 4.36Å
513	E	96.1	Very high	95.8	Very high	148 Å²	148	53.2 Å²	53.2	69%	0.692	27%	0.271	S	S	*	.	H	α-helix	trans	-61.7	-43	174.5	-175	168.4	-150.5	0	0	111.7	E509	E509-E513 PolarHBondContact O-N 2.84Å
514	R	97.1	Very high	95.6	Very high	165 Å²	165	53.7 Å²	53.7	62%	0.623	28%	0.276	S	S	*	.	H	α-helix	trans	-73.8	-37.1	-178.8	-170.1	-177.6	69.7	86.2	-3.7	114.5	E510 Q511	E510-R514 WeakPolarHBondContact O-CB 3.42Å; E510-R514 PolarHBondContact O-N 2.87Å; Q511-R514 PolarHBondContact O-N 2.92Å
515	L	96.7	Very high	95.5	Very high	49 Å²	49	54.7 Å²	54.7	26%	0.257	28%	0.28	S	S	.	.	H	α-helix	trans	-98	-18.5	-169.2	-65.9	174.9	0	0	0	114	Q511 N517 A528 R531 A532	Q511-L515 HydrophobicContact CB-CD1 4.32Å; Q511-L515 WeakPolarHBondContact O-CB 3.47Å; Q511-L515 VanDerWaalsContact O-CG 3.24Å; Q511-L515 WeakPolarHBondContact O-CG 3.43Å; Q511-L515 PolarHBondContact O-N 2.91Å; L515-N517 PolarHBondContact O-N 2.94Å; L515-A528 HydrophobicContact CB-CB 4.22Å; L515-A528 WeakPolarHBondContact O-CB 3.46Å; L515-R531 HydrophobicContact CD1-CB 3.86Å; L515-A532 HydrophobicContact CD1-CB 4.3Å
516	T	97	Very high	95.3	Very high	11 Å²	11	57.1 Å²	57.1	7%	0.067	29%	0.293	C	S	.	.			trans	-87	114.3	-175.9	-51.2	0	0	0	0	110.5	L512 K525 W642 Y646	L512-T516 WeakPolarHBondContact O-CB 3.27Å; L512-T516 PolarHBondContact O-N 3.4Å; L512-T516 VanDerWaalsContact O-N 3.1Å; L512-T516 PolarHBondContact O-OG1 2.66Å; T516-K525 HydrophobicContact CG2-CG 4.48Å; T516-W642 HydrophobicContact CG2-CZ2 4.01Å; T516-W642 PolarHBondContact OG1-NE1 3.33Å; T516-Y646 HydrophobicContact CG2-CD1 4.17Å; T516-Y646 HydrophobicContact CG2-CD2 3.89Å; T516-Y646 HydrophobicContact CG2-CE1 3.96Å; T516-Y646 HydrophobicContact CG2-CE2 3.68Å; T516-Y646 HydrophobicContact CG2-CG 4.12Å
517	N	95.6	Very high	95.1	Very high	68 Å²	68	54.9 Å²	54.9	36%	0.364	29%	0.285	S	S	.	.			trans	-86.6	123.6	166.6	-178.8	2.5	0	0	0	109.9	L515 D519 D520 K525	L515-N517 PolarHBondContact O-N 2.94Å; N517-D519 PolarHBondContact O-N 3.12Å; N517-D519 PolarHBondContact OD1-N 2.86Å; N517-D519 VanDerWaalsContact OD1-N 3.14Å; N517-D520 HydrophobicContact CB-CB 4.28Å; N517-D520 PolarHBondContact ND2-OD1 3.37Å; N517-D520 WeakPolarHBondContact O-CB 3.2Å; N517-D520 PolarHBondContact O-N 2.74Å; N517-K525 WeakPolarHBondContact O-CE 3.39Å
518	P	94.5	Very high	95	Very high	78 Å²	78	54.3 Å²	54.3	51%	0.506	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-32.7	176.5	-24.4	32.3	0	0	0	114.1	D520 K525 Y646	P518-D520 VanDerWaalsContact C-N 3.33Å; P518-D520 PolarHBondContact O-N 2.97Å; P518-K525 VanDerWaalsContact O-CE 3.29Å; P518-K525 WeakPolarHBondContact O-CE 3.21Å; P518-K525 PolarHBondContact O-NZ 3.01Å; P518-Y646 HydrophobicContact CB-CE1 4.12Å; P518-Y646 HydrophobicContact CG-CE1 4.04Å
519	D	94.5	Very high	95	Very high	147 Å²	147	54.3 Å²	54.3	79%	0.786	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-7.8	-175.6	-60.9	-40	0	0	0	113.7	N517	N517-D519 PolarHBondContact O-N 3.12Å; N517-D519 PolarHBondContact OD1-N 2.86Å; N517-D519 VanDerWaalsContact OD1-N 3.14Å
520	D	92.9	Very high	94.9	Very high	49 Å²	49	54.4 Å²	54.4	26%	0.262	28%	0.283	S	S	.	.	S	Bend	trans	-66.8	144.8	-177.6	-86.8	-2.2	0	0	0	112	N517 P518 A524 K525	N517-D520 HydrophobicContact CB-CB 4.28Å; N517-D520 PolarHBondContact ND2-OD1 3.37Å; N517-D520 WeakPolarHBondContact O-CB 3.2Å; N517-D520 PolarHBondContact O-N 2.74Å; P518-D520 VanDerWaalsContact C-N 3.33Å; P518-D520 PolarHBondContact O-N 2.97Å; D520-A524 HydrophobicContact CB-CB 3.89Å; D520-K525 HydrophobicContact CB-CG 3.87Å; D520-K525 PolarHBondContact O-NZ 3.31Å
521	P	90.7	Very high	94.9	Very high	57 Å²	57	55.5 Å²	55.5	37%	0.37	28%	0.284	S	S	.	.			trans	-64.6	157.3	171.3	29.7	-36.5	0	0	0	111	H523 A524 K525	P521-H523 VanDerWaalsContact CB-CE1 3.45Å; P521-H523 WeakPolarHBondContact CB-CE1 3.47Å; P521-H523 WeakPolarHBondContact CG-CE1 3.46Å; P521-H523 PolarHBondContact O-N 3.05Å; P521-A524 HydrophobicContact CG-CB 3.95Å; P521-A524 PolarHBondContact O-N 2.85Å; P521-K525 PolarHBondContact O-N 2.62Å; P521-K525 VanDerWaalsContact O-N 3.13Å
522	P	89.8	Confident	94.9	Very high	88 Å²	88	53.8 Å²	53.8	57%	0.571	28%	0.276	S	S	*	.	H	α-helix	trans	-52.9	-32.9	-173.5	-29.8	35.3	0	0	0	115.5	L526	P522-L526 PolarHBondContact O-N 2.74Å
523	H	89.2	Confident	94.9	Very high	38 Å²	38	53.6 Å²	53.6	18%	0.176	28%	0.275	C	S	.	.	H	α-helix	trans	-76.1	-28.1	179.4	63.6	-80.7	0	0	0	113.4	P521 L527 S609 K610 L613	P521-H523 VanDerWaalsContact CB-CE1 3.45Å; P521-H523 WeakPolarHBondContact CB-CE1 3.47Å; P521-H523 WeakPolarHBondContact CG-CE1 3.46Å; P521-H523 PolarHBondContact O-N 3.05Å; H523-L527 PolarHBondContact O-N 3.05Å; H523-S609 PolarHBondContact NE2-OG 3.27Å; H523-K610 HydrophobicContact CB-CG 4.18Å; H523-L613 WeakPolarHBondContact CD2-CD1 3.45Å
524	A	92.9	Very high	94.9	Very high	16 Å²	16	48.2 Å²	48.2	13%	0.132	25%	0.249	C	C	.	.	H	α-helix	trans	-75	-40.8	172.2	0	0	0	0	0	110.9	D520 P521 L526 L527 A528 L613	D520-A524 HydrophobicContact CB-CB 3.89Å; P521-A524 HydrophobicContact CG-CB 3.95Å; P521-A524 PolarHBondContact O-N 2.85Å; A524-L526 VanDerWaalsContact C-N 3.27Å; A524-L526 PolarHBondContact O-N 3.16Å; A524-L527 WeakPolarHBondContact O-CB 3.39Å; A524-L527 PolarHBondContact O-N 2.75Å; A524-A528 PolarHBondContact O-N 3.22Å; A524-L613 HydrophobicContact CB-CD1 4.36Å
525	K	95.5	Very high	94.9	Very high	20 Å²	20	41.9 Å²	41.9	9%	0.087	23%	0.232	C	C	.	.	H	α-helix	trans	-56.8	-40	170.1	-66.7	-167	170.7	99.3	0	112.5	T516 N517 P518 D520 P521 L527 A528 Y529 W642 Y646 V648	T516-K525 HydrophobicContact CG2-CG 4.48Å; N517-K525 WeakPolarHBondContact O-CE 3.39Å; P518-K525 VanDerWaalsContact O-CE 3.29Å; P518-K525 WeakPolarHBondContact O-CE 3.21Å; P518-K525 PolarHBondContact O-NZ 3.01Å; D520-K525 HydrophobicContact CB-CG 3.87Å; D520-K525 PolarHBondContact O-NZ 3.31Å; P521-K525 PolarHBondContact O-N 2.62Å; P521-K525 VanDerWaalsContact O-N 3.13Å; K525-L527 VanDerWaalsContact C-N 3.35Å; K525-L527 PolarHBondContact O-N 2.84Å; K525-A528 WeakPolarHBondContact O-CB 3.48Å; K525-A528 PolarHBondContact O-N 2.67Å; K525-Y529 PolarHBondContact O-N 3.23Å; K525-W642 HydrophobicContact CB-CH2 3.96Å; K525-W642 HydrophobicContact CB-CZ2 4.02Å; K525-W642 WeakPolarHBondContact O-CH2 3.42Å; K525-Y646 HydrophobicContact CD-CG 4.39Å; K525-V648 HydrophobicContact CB-CG2 4.37Å; K525-V648 HydrophobicContact CD-CG2 4.14Å
526	L	93.9	Very high	94.9	Very high	52 Å²	52	39.6 Å²	39.6	27%	0.272	22%	0.22	S	C	.	.	H	α-helix	trans	-63.7	-38.7	175.5	-173.5	64.6	0	0	0	112.5	P522 A524 Y529 N530 I653	P522-L526 PolarHBondContact O-N 2.74Å; A524-L526 VanDerWaalsContact C-N 3.27Å; A524-L526 PolarHBondContact O-N 3.16Å; L526-Y529 PolarHBondContact O-N 3.2Å; L526-N530 PolarHBondContact O-N 3.16Å; L526-I653 HydrophobicContact CD1-CD1 3.5Å
527	L	93.9	Very high	94.9	Very high	11 Å²	11	39 Å²	39	6%	0.058	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-41.7	173.4	179.2	64.8	0	0	0	111.2	H523 A524 K525 Y529 N530 R531 L613 T616 D617	H523-L527 PolarHBondContact O-N 3.05Å; A524-L527 WeakPolarHBondContact O-CB 3.39Å; A524-L527 PolarHBondContact O-N 2.75Å; K525-L527 VanDerWaalsContact C-N 3.35Å; K525-L527 PolarHBondContact O-N 2.84Å; L527-Y529 VanDerWaalsContact C-N 3.31Å; L527-Y529 PolarHBondContact O-N 3.05Å; L527-N530 PolarHBondContact O-N 3.29Å; L527-R531 HydrophobicContact CD1-CG 4.32Å; L527-R531 HydrophobicContact CG-CG 4.41Å; L527-R531 WeakPolarHBondContact O-CB 3.42Å; L527-R531 WeakPolarHBondContact O-CG 3.29Å; L527-R531 PolarHBondContact O-N 3.38Å; L527-L613 HydrophobicContact CD2-CB 4.45Å; L527-L613 HydrophobicContact CD2-CD2 3.32Å; L527-L613 HydrophobicContact CD2-CG 4.44Å; L527-T616 HydrophobicContact CD2-CG2 4.48Å; L527-D617 HydrophobicContact CD1-CB 3.84Å
528	A	96.3	Very high	94.9	Very high	7 Å²	7	40 Å²	40	6%	0.058	23%	0.225	C	C	.	.	H	α-helix	trans	-57.7	-44.8	174.8	0	0	0	0	0	111.3	L515 A524 K525 N530 R531 A532	L515-A528 HydrophobicContact CB-CB 4.22Å; L515-A528 WeakPolarHBondContact O-CB 3.46Å; A524-A528 PolarHBondContact O-N 3.22Å; K525-A528 WeakPolarHBondContact O-CB 3.48Å; K525-A528 PolarHBondContact O-N 2.67Å; A528-N530 PolarHBondContact O-N 3.11Å; A528-R531 PolarHBondContact O-N 3.1Å; A528-A532 WeakPolarHBondContact O-CB 3.18Å; A528-A532 PolarHBondContact O-N 3.19Å
529	Y	97.4	Very high	94.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-46.7	173.6	-177.4	-76.9	0	0	0	112.3	L512 K525 L526 L527 R531 A532 N533 S639 W642 I653	L512-Y529 HydrophobicContact CD1-CD2 4.43Å; L512-Y529 HydrophobicContact CD1-CE2 4.48Å; L512-Y529 HydrophobicContact CD2-CD2 3.76Å; L512-Y529 HydrophobicContact CD2-CG 4.25Å; K525-Y529 PolarHBondContact O-N 3.23Å; L526-Y529 PolarHBondContact O-N 3.2Å; L527-Y529 VanDerWaalsContact C-N 3.31Å; L527-Y529 PolarHBondContact O-N 3.05Å; Y529-R531 VanDerWaalsContact C-N 3.33Å; Y529-R531 PolarHBondContact O-N 3.27Å; Y529-A532 WeakPolarHBondContact O-CB 3.39Å; Y529-A532 PolarHBondContact O-N 3.01Å; Y529-N533 HydrophobicContact CE1-CB 4.46Å; Y529-N533 PolarHBondContact O-N 3.42Å; Y529-S639 PolarHBondContact OH-OG 3.3Å; Y529-W642 HydrophobicContact CD2-CD2 4.27Å; Y529-W642 AromaticContact CD2-CE3 3.92Å; Y529-W642 HydrophobicContact CD2-CE3 3.92Å; Y529-W642 HydrophobicContact CD2-CH2 4.41Å; Y529-W642 AromaticContact CD2-CZ3 3.99Å; Y529-W642 HydrophobicContact CD2-CZ3 3.99Å; Y529-W642 HydrophobicContact CG-CZ3 4.5Å; Y529-I653 HydrophobicContact CD1-CD1 3.86Å; Y529-I653 HydrophobicContact CD2-CD1 3.89Å; Y529-I653 HydrophobicContact CD2-CG1 4.49Å; Y529-I653 HydrophobicContact CE1-CD1 4.19Å; Y529-I653 HydrophobicContact CE1-CG2 3.94Å; Y529-I653 HydrophobicContact CE2-CD1 4.16Å; Y529-I653 HydrophobicContact CE2-CG1 4.4Å; Y529-I653 HydrophobicContact CE2-CG2 3.91Å; Y529-I653 HydrophobicContact CG-CD1 3.74Å; Y529-I653 VanDerWaalsContact CZ-CG2 3.49Å; Y529-I653 WeakPolarHBondContact OH-CG2 3.44Å
530	N	96	Very high	94.8	Very high	25 Å²	25	31.8 Å²	31.8	13%	0.134	18%	0.176	C	C	.	.	H	α-helix	trans	-65.4	-36.7	179.9	-76.9	-8.3	0	0	0	112.3	L526 L527 A528 N533 R534 D617	L526-N530 PolarHBondContact O-N 3.16Å; L527-N530 PolarHBondContact O-N 3.29Å; A528-N530 PolarHBondContact O-N 3.11Å; N530-N533 PolarHBondContact O-N 2.94Å; N530-R534 WeakPolarHBondContact O-CB 3.09Å; N530-R534 PolarHBondContact O-N 3.19Å; N530-D617 VanDerWaalsContact CB-OD1 3.29Å; N530-D617 WeakPolarHBondContact CB-OD1 3.37Å; N530-D617 VanDerWaalsContact ND2-CG 3.3Å; N530-D617 PolarHBondContact ND2-OD1 3.44Å; N530-D617 PolarHBondContact ND2-OD2 2.86Å
531	R	97.2	Very high	95	Very high	95 Å²	95	30.7 Å²	30.7	36%	0.358	17%	0.17	S	C	.	.	H	α-helix	trans	-64.8	-42.1	172.9	-75.8	175	168.1	177.2	-6.4	111.8	L515 L527 A528 Y529 R534 A535 E620	L515-R531 HydrophobicContact CD1-CB 3.86Å; L527-R531 HydrophobicContact CD1-CG 4.32Å; L527-R531 HydrophobicContact CG-CG 4.41Å; L527-R531 WeakPolarHBondContact O-CB 3.42Å; L527-R531 WeakPolarHBondContact O-CG 3.29Å; L527-R531 PolarHBondContact O-N 3.38Å; A528-R531 PolarHBondContact O-N 3.1Å; Y529-R531 VanDerWaalsContact C-N 3.33Å; Y529-R531 PolarHBondContact O-N 3.27Å; R531-R534 WeakPolarHBondContact O-CB 3.24Å; R531-R534 PolarHBondContact O-N 2.99Å; R531-A535 PolarHBondContact O-N 3.09Å; R531-E620 IonicContact CZ-OE1 3.79Å; R531-E620 IonicContact NE-OE1 3.36Å; R531-E620 PolarHBondContact NE-OE1 2.93Å; R531-E620 IonicContact NE-OE2 2.76Å; R531-E620 PolarHBondContact NE-OE2 3.04Å; R531-E620 IonicContact NH2-OE1 3.55Å; R531-E620 PolarHBondContact NH2-OE1 2.73Å; R531-E620 IonicContact NH2-OE2 2.65Å
532	A	98.1	Very high	95	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-47.7	173.8	0	0	0	0	0	111.5	L508 Q511 L512 L515 A528 Y529 R534 A535 V536	L508-A532 HydrophobicContact CD1-CB 4.06Å; Q511-A532 HydrophobicContact CB-CB 3.58Å; L512-A532 HydrophobicContact CD2-CB 3.73Å; L512-A532 HydrophobicContact CG-CB 3.97Å; L515-A532 HydrophobicContact CD1-CB 4.3Å; A528-A532 WeakPolarHBondContact O-CB 3.18Å; A528-A532 PolarHBondContact O-N 3.19Å; Y529-A532 WeakPolarHBondContact O-CB 3.39Å; Y529-A532 PolarHBondContact O-N 3.01Å; A532-R534 VanDerWaalsContact C-N 3.29Å; A532-R534 PolarHBondContact O-N 3.32Å; A532-A535 WeakPolarHBondContact O-CB 3.45Å; A532-A535 PolarHBondContact O-N 3.33Å; A532-V536 PolarHBondContact O-N 3.21Å
533	N	97.4	Very high	95.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.011	15%	0.147	C	C	.	.	H	α-helix	trans	-65.9	-30.6	175.5	-171.7	23.2	0	0	0	112.7	L508 Y529 N530 V536 A537 L626 S629 L634	L508-N533 HydrophobicContact CD1-CB 4.44Å; Y529-N533 HydrophobicContact CE1-CB 4.46Å; Y529-N533 PolarHBondContact O-N 3.42Å; N530-N533 PolarHBondContact O-N 2.94Å; N533-V536 WeakPolarHBondContact O-CB 3.12Å; N533-V536 PolarHBondContact O-N 2.84Å; N533-A537 PolarHBondContact O-N 3.2Å; N533-L626 HydrophobicContact CB-CD2 4.37Å; N533-L626 PolarHBondContact ND2-O 3.32Å; N533-L626 VanDerWaalsContact ND2-O 3.09Å; N533-S629 PolarHBondContact OD1-OG 3.36Å; N533-L634 WeakPolarHBondContact OD1-CD1 3.48Å
534	R	96.6	Very high	95.1	Very high	35 Å²	35	32 Å²	32	13%	0.132	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-43.9	174	-171	-173.8	-53.1	127.2	5.3	111.6	N530 R531 A532 V536 A537 V538 D617 E620 N621 I624 L626	N530-R534 WeakPolarHBondContact O-CB 3.09Å; N530-R534 PolarHBondContact O-N 3.19Å; R531-R534 WeakPolarHBondContact O-CB 3.24Å; R531-R534 PolarHBondContact O-N 2.99Å; A532-R534 VanDerWaalsContact C-N 3.29Å; A532-R534 PolarHBondContact O-N 3.32Å; R534-V536 PolarHBondContact O-N 3.06Å; R534-A537 PolarHBondContact O-N 3.32Å; R534-A537 VanDerWaalsContact O-N 3.07Å; R534-V538 HydrophobicContact CG-CG2 4.34Å; R534-V538 WeakPolarHBondContact O-CG2 3.3Å; R534-V538 PolarHBondContact O-N 3.05Å; R534-D617 IonicContact NH2-OD1 3.37Å; R534-E620 WeakPolarHBondContact CD-O 3.37Å; R534-E620 IonicContact CZ-OE2 3.42Å; R534-E620 PolarHBondContact NE-O 3.1Å; R534-E620 VanDerWaalsContact NH1-CD 3.28Å; R534-E620 IonicContact NH1-OE2 3.57Å; R534-E620 PolarHBondContact NH1-OE2 3.1Å; R534-E620 IonicContact NH2-OE2 2.75Å; R534-E620 PolarHBondContact NH2-OE2 3.27Å; R534-N621 PolarHBondContact NE-OD1 2.94Å; R534-N621 PolarHBondContact NH2-ND2 2.96Å; R534-N621 PolarHBondContact NH2-OD1 2.82Å; R534-I624 HydrophobicContact CG-CG1 4.3Å; R534-I624 HydrophobicContact CG-CG2 4.21Å; R534-L626 HydrophobicContact CB-CD2 4.08Å
535	A	96.9	Very high	95	Very high	32 Å²	32	36.2 Å²	36.2	26%	0.264	19%	0.188	S	C	.	.	H	α-helix	trans	-56.6	-40.5	175.8	0	0	0	0	0	111.4	T507 Q511 R531 A532 L539	T507-A535 HydrophobicContact CG2-CB 4.29Å; Q511-A535 HydrophobicContact CG-CB 3.99Å; R531-A535 PolarHBondContact O-N 3.09Å; A532-A535 WeakPolarHBondContact O-CB 3.45Å; A532-A535 PolarHBondContact O-N 3.33Å; A535-L539 WeakPolarHBondContact O-CB 3.42Å; A535-L539 PolarHBondContact O-N 3.16Å
536	V	97.5	Very high	94.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-46.9	173.6	177.5	0	0	0	0	111.8	A504 T507 L508 A532 N533 R534 V538 L539 C540 L634	A504-V536 HydrophobicContact CB-CG1 3.62Å; A504-V536 WeakPolarHBondContact O-CG2 3.47Å; T507-V536 HydrophobicContact CG2-CG2 3.94Å; L508-V536 HydrophobicContact CB-CG2 3.99Å; A532-V536 PolarHBondContact O-N 3.21Å; N533-V536 WeakPolarHBondContact O-CB 3.12Å; N533-V536 PolarHBondContact O-N 2.84Å; R534-V536 PolarHBondContact O-N 3.06Å; V536-V538 VanDerWaalsContact C-N 3.32Å; V536-V538 PolarHBondContact O-N 3.48Å; V536-L539 WeakPolarHBondContact O-CB 3.47Å; V536-L539 PolarHBondContact O-N 3.05Å; V536-C540 WeakPolarHBondContact O-CB 3.35Å; V536-C540 PolarHBondContact O-N 3.01Å; V536-L634 HydrophobicContact CB-CD2 4.46Å; V536-L634 HydrophobicContact CG1-CD2 3.82Å; V536-L634 HydrophobicContact CG1-CG 4.5Å; V536-L634 HydrophobicContact CG2-CD2 4.08Å
537	A	96.1	Very high	94.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-38.3	-179	0	0	0	0	0	111.9	N533 R534 C540 N541 H542 I624 L626	N533-A537 PolarHBondContact O-N 3.2Å; R534-A537 PolarHBondContact O-N 3.32Å; R534-A537 VanDerWaalsContact O-N 3.07Å; A537-C540 CarbonylContact O-C 3.59Å; A537-C540 PolarHBondContact O-N 3.25Å; A537-N541 PolarHBondContact O-N 3.4Å; A537-H542 HydrophobicContact CB-CB 4.13Å; A537-H542 PolarHBondContact O-N 2.93Å; A537-I624 HydrophobicContact CB-CG2 3.4Å; A537-I624 VanDerWaalsContact CB-CG2 3.4Å; A537-L626 HydrophobicContact CB-CD2 4.09Å
538	V	94.9	Very high	94.4	Very high	89 Å²	89	47.6 Å²	47.6	54%	0.539	24%	0.244	S	C	.	.	H	α-helix	trans	-62.9	-49.9	173	171.3	0	0	0	0	110.6	R534 V536 C540 N541 I624	R534-V538 HydrophobicContact CG-CG2 4.34Å; R534-V538 WeakPolarHBondContact O-CG2 3.3Å; R534-V538 PolarHBondContact O-N 3.05Å; V536-V538 VanDerWaalsContact C-N 3.32Å; V536-V538 PolarHBondContact O-N 3.48Å; V538-C540 PolarHBondContact O-N 2.92Å; V538-N541 PolarHBondContact O-N 3.13Å; V538-I624 HydrophobicContact CG2-CD1 4.09Å
539	L	94.5	Very high	94.2	Very high	48 Å²	48	51.2 Å²	51.2	25%	0.251	27%	0.269	S	S	.	.	H	α-helix	trans	-54.9	-41.2	175.5	175.7	65.2	0	0	0	112.1	A397 N503 A535 V536 N541	A397-L539 HydrophobicContact CB-CD1 4.11Å; A397-L539 HydrophobicContact CB-CG 3.97Å; N503-L539 HydrophobicContact CB-CD2 4.12Å; A535-L539 WeakPolarHBondContact O-CB 3.42Å; A535-L539 PolarHBondContact O-N 3.16Å; V536-L539 WeakPolarHBondContact O-CB 3.47Å; V536-L539 PolarHBondContact O-N 3.05Å; L539-N541 VanDerWaalsContact C-N 3.31Å; L539-N541 PolarHBondContact O-N 2.76Å
540	C	94.4	Very high	93.9	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.02	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	1.8	-178.7	-80.1	0	0	0	0	115	R500 V536 A537 V538 H542	R500-C540 PolarHBondContact NH2-O 3.4Å; V536-C540 WeakPolarHBondContact O-CB 3.35Å; V536-C540 PolarHBondContact O-N 3.01Å; A537-C540 CarbonylContact O-C 3.59Å; A537-C540 PolarHBondContact O-N 3.25Å; V538-C540 PolarHBondContact O-N 2.92Å; C540-H542 VanDerWaalsContact C-N 3.31Å; C540-H542 PolarHBondContact O-CD2 2.98Å; C540-H542 PolarHBondContact O-N 2.96Å
541	N	95.3	Very high	93.8	Very high	27 Å²	27	55.2 Å²	55.2	14%	0.144	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	46.8	-171.4	-161.7	41	0	0	0	113.5	R446 Y447 A537 V538 L539 Q543	R446-N541 PolarHBondContact O-ND2 3.2Å; Y447-N541 HydrophobicContact CD2-CB 3.79Å; Y447-N541 HydrophobicContact CE2-CB 4.22Å; A537-N541 PolarHBondContact O-N 3.4Å; V538-N541 PolarHBondContact O-N 3.13Å; L539-N541 VanDerWaalsContact C-N 3.31Å; L539-N541 PolarHBondContact O-N 2.76Å; N541-Q543 PolarHBondContact O-N 3.23Å; N541-Q543 WeakPolarHBondContact OD1-CG 3.48Å; N541-Q543 PolarHBondContact OD1-NE2 3.3Å
542	H	92.5	Very high	93.7	Very high	9 Å²	9	57.6 Å²	57.6	4%	0.042	31%	0.312	C	S	.	.			trans	-86	85.6	175.2	-68.4	166.6	0	0	0	110.2	R500 A537 C540 A625 S629 Y633	R500-H542 PolarHBondContact NH2-CD2 3.07Å; R500-H542 PolarHBondContact NH2-NE2 2.93Å; A537-H542 HydrophobicContact CB-CB 4.13Å; A537-H542 PolarHBondContact O-N 2.93Å; C540-H542 VanDerWaalsContact C-N 3.31Å; C540-H542 PolarHBondContact O-CD2 2.98Å; C540-H542 PolarHBondContact O-N 2.96Å; H542-A625 HydrophobicContact CB-CB 4.34Å; H542-A625 PolarHBondContact O-N 3.03Å; H542-S629 PolarHBondContact CE1-N 3.34Å; H542-S629 PolarHBondContact ND1-N 3.07Å; H542-Y633 AromaticContact CE1-CD2 3.65Å; H542-Y633 AromaticContact CE1-CE2 3.58Å; H542-Y633 AromaticContact NE2-CE2 3.7Å
543	Q	90.6	Very high	93.5	Very high	89 Å²	89	59.6 Å²	59.6	42%	0.416	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-95.6	160.1	179.8	-57.5	-176.8	1.2	0	0	112.3	I445 N541 E623	I445-Q543 HydrophobicContact CG2-CB 4.05Å; I445-Q543 HydrophobicContact CG2-CG 4.31Å; N541-Q543 PolarHBondContact O-N 3.23Å; N541-Q543 WeakPolarHBondContact OD1-CG 3.48Å; N541-Q543 PolarHBondContact OD1-NE2 3.3Å; Q543-E623 CarbonylContact C-O 3.52Å; Q543-E623 WeakPolarHBondContact CA-O 3.37Å
544	R	90.3	Very high	93.4	Very high	113 Å²	113	61.4 Å²	61.4	43%	0.426	34%	0.335	S	S	.	.			trans	-141.2	154.8	164.7	63.2	175.1	-175.3	-170	-6.2	109.6	N621 K622 E623 I624 A625	R544-N621 PolarHBondContact NE-O 3.43Å; R544-N621 PolarHBondContact NH2-O 2.88Å; R544-K622 PolarHBondContact NE-O 2.68Å; R544-E623 PolarHBondContact N-O 3.41Å; R544-E623 CarbonylContact O-C 3.58Å; R544-E623 WeakPolarHBondContact O-CA 3.42Å; R544-I624 PolarHBondContact NE-O 2.93Å; R544-A625 HydrophobicContact CB-CB 4.32Å
545	S	89.8	Confident	93.4	Very high	104 Å²	104	64.4 Å²	64.4	73%	0.727	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-64.7	145.5	167.3	54.1	0	0	0	0	110.7	P547	S545-P547 WeakPolarHBondContact O-CD 3.29Å
546	V	92.2	Very high	93.3	Very high	59 Å²	59	66.6 Å²	66.6	36%	0.358	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-57.1	125.8	170.5	179.5	0	0	0	0	108.7	K548 F550 K622 E623	V546-K548 PolarHBondContact O-N 3.45Å; V546-F550 HydrophobicContact CG1-CB 3.65Å; V546-F550 HydrophobicContact CG1-CD1 3.9Å; V546-F550 HydrophobicContact CG1-CG 3.84Å; V546-K622 HydrophobicContact CG2-CG 4.38Å; V546-E623 HydrophobicContact CG2-CG 3.54Å
547	P	90.1	Very high	93.2	Very high	50 Å²	50	66.9 Å²	66.9	33%	0.325	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-57.1	137.3	178.8	-26.1	34.1	0	0	0	111.7	S545 S549 F550	S545-P547 WeakPolarHBondContact O-CD 3.29Å; P547-S549 PolarHBondContact O-N 2.97Å; P547-F550 HydrophobicContact CB-CB 4.33Å; P547-F550 WeakPolarHBondContact O-CB 3.35Å; P547-F550 PolarHBondContact O-N 2.74Å
548	K	89.4	Confident	93.2	Very high	212 Å²	212	70.7 Å²	70.7	92%	0.922	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-29.9	-179.8	-66.4	-176	178.5	-178.1	0	113.1	V546	V546-K548 PolarHBondContact O-N 3.45Å
549	S	91.3	Very high	93.4	Very high	83 Å²	83	72.2 Å²	72.2	58%	0.58	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	6.6	178.3	67.8	0	0	0	0	114.9	P547 S553	P547-S549 PolarHBondContact O-N 2.97Å; S549-S553 PolarHBondContact O-N 3.24Å
550	F	91.4	Very high	93.5	Very high	35 Å²	35	76.2 Å²	76.2	15%	0.154	39%	0.392	C	S	.	.	H	α-helix	trans	-61.6	-51	-171.7	177.8	-98.2	0	0	0	112.5	V546 P547 K552 S553 M554 K622	V546-F550 HydrophobicContact CG1-CB 3.65Å; V546-F550 HydrophobicContact CG1-CD1 3.9Å; V546-F550 HydrophobicContact CG1-CG 3.84Å; P547-F550 HydrophobicContact CB-CB 4.33Å; P547-F550 WeakPolarHBondContact O-CB 3.35Å; P547-F550 PolarHBondContact O-N 2.74Å; F550-K552 PolarHBondContact O-N 3.03Å; F550-S553 CarbonylContact O-C 3.48Å; F550-S553 WeakPolarHBondContact O-CA 3.42Å; F550-S553 WeakPolarHBondContact O-CB 3.15Å; F550-S553 PolarHBondContact O-N 2.92Å; F550-M554 HydrophobicContact CD1-CG 4.19Å; F550-M554 HydrophobicContact CD2-CG 4.34Å; F550-M554 HydrophobicContact CE1-CG 3.65Å; F550-M554 HydrophobicContact CE2-CG 3.83Å; F550-M554 HydrophobicContact CE2-SD 4.17Å; F550-M554 HydrophobicContact CZ-CG 3.43Å; F550-M554 VanDerWaalsContact CZ-CG 3.43Å; F550-M554 HydrophobicContact CZ-SD 4.01Å; F550-M554 PolarHBondContact O-N 3.01Å; F550-K622 HydrophobicContact CD2-CB 4.16Å; F550-K622 HydrophobicContact CE1-CB 4.16Å; F550-K622 HydrophobicContact CE1-CD 3.91Å; F550-K622 HydrophobicContact CE2-CB 3.63Å; F550-K622 HydrophobicContact CZ-CB 3.65Å; F550-K622 HydrophobicContact CZ-CD 3.94Å; F550-K622 HydrophobicContact CZ-CG 4.45Å
551	A	93.9	Very high	93.6	Very high	74 Å²	74	76.2 Å²	76.2	61%	0.612	39%	0.392	S	S	*	.	H	α-helix	trans	-55.4	-50.3	-179.4	0	0	0	0	0	111.8	S553 M554 E555	A551-S553 VanDerWaalsContact C-N 3.29Å; A551-S553 PolarHBondContact O-N 3.3Å; A551-M554 PolarHBondContact O-N 3.34Å; A551-M554 VanDerWaalsContact O-N 3.12Å; A551-E555 PolarHBondContact O-N 3.27Å
552	K	94.9	Very high	93.7	Very high	146 Å²	146	78.2 Å²	78.2	64%	0.635	40%	0.402	S	S	*	.	H	α-helix	trans	-60.2	-37.4	175.6	-172.9	170.8	-174.1	170.4	0	112.3	F550 N556	F550-K552 PolarHBondContact O-N 3.03Å; K552-N556 WeakPolarHBondContact O-CB 3.36Å; K552-N556 VanDerWaalsContact O-CG 3.24Å; K552-N556 PolarHBondContact O-N 3.1Å; K552-N556 VanDerWaalsContact O-N 3.14Å; K552-N556 PolarHBondContact O-ND2 3.38Å
553	S	93.1	Very high	93.9	Very high	41 Å²	41	80.4 Å²	80.4	29%	0.287	42%	0.422	S	S	.	.	H	α-helix	trans	-69.8	-34.5	176.6	-174.7	0	0	0	0	113	S549 F550 A551 L557 R618	S549-S553 PolarHBondContact O-N 3.24Å; F550-S553 CarbonylContact O-C 3.48Å; F550-S553 WeakPolarHBondContact O-CA 3.42Å; F550-S553 WeakPolarHBondContact O-CB 3.15Å; F550-S553 PolarHBondContact O-N 2.92Å; A551-S553 VanDerWaalsContact C-N 3.29Å; A551-S553 PolarHBondContact O-N 3.3Å; S553-L557 PolarHBondContact O-N 3.31Å; S553-R618 PolarHBondContact OG-NH1 3.15Å
554	M	95.1	Very high	94.2	Very high	41 Å²	41	78.4 Å²	78.4	20%	0.202	41%	0.412	C	S	.	.	H	α-helix	trans	-73.3	-42	177.3	-74.1	-55.8	-65	0	0	111.3	F550 A551 N556 L557 Q558 A615 R618 D619	F550-M554 HydrophobicContact CD1-CG 4.19Å; F550-M554 HydrophobicContact CD2-CG 4.34Å; F550-M554 HydrophobicContact CE1-CG 3.65Å; F550-M554 HydrophobicContact CE2-CG 3.83Å; F550-M554 HydrophobicContact CE2-SD 4.17Å; F550-M554 HydrophobicContact CZ-CG 3.43Å; F550-M554 VanDerWaalsContact CZ-CG 3.43Å; F550-M554 HydrophobicContact CZ-SD 4.01Å; F550-M554 PolarHBondContact O-N 3.01Å; A551-M554 PolarHBondContact O-N 3.34Å; A551-M554 VanDerWaalsContact O-N 3.12Å; M554-N556 VanDerWaalsContact C-N 3.33Å; M554-N556 PolarHBondContact O-N 3.02Å; M554-L557 WeakPolarHBondContact O-CB 3.44Å; M554-L557 PolarHBondContact O-N 2.83Å; M554-L557 HydrophobicContact SD-CD2 4.49Å; M554-Q558 WeakPolarHBondContact O-CB 3.47Å; M554-Q558 PolarHBondContact O-N 2.99Å; M554-A615 HydrophobicContact CE-CB 4.19Å; M554-R618 HydrophobicContact SD-CB 3.87Å; M554-D619 HydrophobicContact CE-CB 4.31Å
555	E	96.6	Very high	94.5	Very high	98 Å²	98	78.6 Å²	78.6	46%	0.458	41%	0.413	S	S	.	.	H	α-helix	trans	-56.3	-47	173.2	-171.2	-158	149	0	0	111.5	A551 L557 Q558 K559	A551-E555 PolarHBondContact O-N 3.27Å; E555-L557 VanDerWaalsContact C-N 3.26Å; E555-L557 PolarHBondContact O-N 3.21Å; E555-Q558 PolarHBondContact O-N 2.89Å; E555-K559 WeakPolarHBondContact O-CG 3.35Å; E555-K559 PolarHBondContact O-N 3.05Å; E555-K559 WeakPolarHBondContact OE1-CE 3.41Å; E555-K559 IonicContact OE1-NZ 3.6Å; E555-K559 PolarHBondContact OE1-NZ 3.32Å
556	N	96.1	Very high	94.8	Very high	77 Å²	77	79.5 Å²	79.5	41%	0.412	41%	0.406	S	S	.	.	H	α-helix	trans	-62.6	-32.2	176.3	-75.9	-38.9	0	0	0	113.2	K552 M554 K560	K552-N556 WeakPolarHBondContact O-CB 3.36Å; K552-N556 VanDerWaalsContact O-CG 3.24Å; K552-N556 PolarHBondContact O-N 3.1Å; K552-N556 VanDerWaalsContact O-N 3.14Å; K552-N556 PolarHBondContact O-ND2 3.38Å; M554-N556 VanDerWaalsContact C-N 3.33Å; M554-N556 PolarHBondContact O-N 3.02Å; N556-K560 WeakPolarHBondContact O-CG 3.33Å; N556-K560 PolarHBondContact O-N 2.86Å
557	L	95.1	Very high	94.9	Very high	7 Å²	7	80.1 Å²	80.1	4%	0.037	40%	0.404	C	S	.	.	H	α-helix	trans	-75.1	-39.8	176.8	-174.1	57.6	0	0	0	110.9	S553 M554 E555 K560 I561 L611 Q614 A615	S553-L557 PolarHBondContact O-N 3.31Å; M554-L557 WeakPolarHBondContact O-CB 3.44Å; M554-L557 PolarHBondContact O-N 2.83Å; M554-L557 HydrophobicContact SD-CD2 4.49Å; E555-L557 VanDerWaalsContact C-N 3.26Å; E555-L557 PolarHBondContact O-N 3.21Å; L557-K560 WeakPolarHBondContact O-CB 3.25Å; L557-K560 PolarHBondContact O-N 3.18Å; L557-I561 HydrophobicContact CG-CD1 4.43Å; L557-I561 WeakPolarHBondContact O-CG1 3.47Å; L557-I561 PolarHBondContact O-N 3.44Å; L557-L611 HydrophobicContact CD1-CD2 3.82Å; L557-Q614 HydrophobicContact CD2-CG 4.27Å; L557-A615 VanDerWaalsContact CD2-CA 3.49Å; L557-A615 HydrophobicContact CD2-CB 3.66Å; L557-A615 HydrophobicContact CG-CB 4.21Å
558	Q	96.9	Very high	95.2	Very high	79 Å²	79	78.8 Å²	78.8	37%	0.369	39%	0.394	S	S	.	.	H	α-helix	trans	-61.8	-45.8	175.8	-171.4	53.7	47.9	0	0	111.4	M554 E555 K560 I561 D562	M554-Q558 WeakPolarHBondContact O-CB 3.47Å; M554-Q558 PolarHBondContact O-N 2.99Å; E555-Q558 PolarHBondContact O-N 2.89Å; Q558-K560 PolarHBondContact O-N 2.64Å; Q558-I561 WeakPolarHBondContact O-CA 3.43Å; Q558-I561 WeakPolarHBondContact O-CB 3.47Å; Q558-I561 PolarHBondContact O-N 3.28Å; Q558-D562 VanDerWaalsContact NE2-CG 3.27Å; Q558-D562 PolarHBondContact NE2-OD1 2.8Å; Q558-D562 PolarHBondContact NE2-OD2 2.98Å; Q558-D562 PolarHBondContact O-N 3.02Å
559	K	97.3	Very high	95.5	Very high	121 Å²	121	72.5 Å²	72.5	53%	0.526	38%	0.377	S	S	.	.	H	α-helix	trans	-53.4	-39.7	172.7	-75.8	172.5	170.6	168.1	0	113	E555 A563	E555-K559 WeakPolarHBondContact O-CG 3.35Å; E555-K559 PolarHBondContact O-N 3.05Å; E555-K559 WeakPolarHBondContact OE1-CE 3.41Å; E555-K559 IonicContact OE1-NZ 3.6Å; E555-K559 PolarHBondContact OE1-NZ 3.32Å; K559-A563 WeakPolarHBondContact O-CB 3.48Å; K559-A563 PolarHBondContact O-N 2.78Å
560	K	96.8	Very high	95.7	Very high	132 Å²	132	74.2 Å²	74.2	57%	0.574	38%	0.376	S	S	*	.	H	α-helix	trans	-69.8	-37.5	175.7	-71.3	175.3	179.3	-178.2	0	112.7	N556 L557 Q558 K564 L611	N556-K560 WeakPolarHBondContact O-CG 3.33Å; N556-K560 PolarHBondContact O-N 2.86Å; L557-K560 WeakPolarHBondContact O-CB 3.25Å; L557-K560 PolarHBondContact O-N 3.18Å; Q558-K560 PolarHBondContact O-N 2.64Å; K560-K564 WeakPolarHBondContact O-CB 3.33Å; K560-K564 PolarHBondContact O-N 2.78Å; K560-K564 VanDerWaalsContact O-N 3.11Å; K560-L611 HydrophobicContact CB-CD1 4.27Å
561	I	97	Very high	95.8	Very high	4 Å²	4	72.7 Å²	72.7	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-63.4	-46.4	175.8	-72.7	169.1	0	0	0	109.8	L557 Q558 K564 R565 L608 L611 Q612 A615	L557-I561 HydrophobicContact CG-CD1 4.43Å; L557-I561 WeakPolarHBondContact O-CG1 3.47Å; L557-I561 PolarHBondContact O-N 3.44Å; Q558-I561 WeakPolarHBondContact O-CA 3.43Å; Q558-I561 WeakPolarHBondContact O-CB 3.47Å; Q558-I561 PolarHBondContact O-N 3.28Å; I561-K564 WeakPolarHBondContact O-CB 3.43Å; I561-K564 PolarHBondContact O-N 3.31Å; I561-K564 VanDerWaalsContact O-N 3.15Å; I561-R565 WeakPolarHBondContact O-CG 3.45Å; I561-R565 PolarHBondContact O-N 3.11Å; I561-L608 HydrophobicContact CG2-CD1 3.9Å; I561-L611 HydrophobicContact CD1-CB 4.45Å; I561-L611 HydrophobicContact CG1-CB 3.73Å; I561-Q612 HydrophobicContact CD1-CG 4.44Å; I561-Q612 HydrophobicContact CG2-CG 4.4Å; I561-A615 HydrophobicContact CD1-CB 3.86Å
562	D	97.2	Very high	95.8	Very high	68 Å²	68	71.1 Å²	71.1	36%	0.364	35%	0.352	S	S	.	.	H	α-helix	trans	-68.3	-44.6	-177.1	-63.4	-33.8	0	0	0	111.8	Q558 K564 R565 E566	Q558-D562 VanDerWaalsContact NE2-CG 3.27Å; Q558-D562 PolarHBondContact NE2-OD1 2.8Å; Q558-D562 PolarHBondContact NE2-OD2 2.98Å; Q558-D562 PolarHBondContact O-N 3.02Å; D562-K564 PolarHBondContact O-N 3.07Å; D562-R565 WeakPolarHBondContact O-CB 3.43Å; D562-R565 PolarHBondContact O-N 3.31Å; D562-R565 IonicContact OD1-NH1 3.12Å; D562-R565 PolarHBondContact OD1-NH1 2.88Å; D562-R565 VanDerWaalsContact OD1-NH1 3.1Å; D562-E566 PolarHBondContact O-N 3.47Å
563	A	96.8	Very high	95.8	Very high	56 Å²	56	67.9 Å²	67.9	46%	0.463	35%	0.348	S	S	.	.	H	α-helix	trans	-57.5	-34.1	171.4	0	0	0	0	0	112.5	K559 Q567	K559-A563 WeakPolarHBondContact O-CB 3.48Å; K559-A563 PolarHBondContact O-N 2.78Å; A563-Q567 PolarHBondContact O-N 2.77Å; A563-Q567 VanDerWaalsContact O-N 3.1Å
564	K	96	Very high	95.8	Very high	46 Å²	46	70 Å²	70	20%	0.2	35%	0.353	C	S	.	.	H	α-helix	trans	-74.6	-34.1	177.4	-160.9	61	165.4	177.8	0	112.6	K560 I561 D562 I568 A604 A607 L608 L611	K560-K564 WeakPolarHBondContact O-CB 3.33Å; K560-K564 PolarHBondContact O-N 2.78Å; K560-K564 VanDerWaalsContact O-N 3.11Å; I561-K564 WeakPolarHBondContact O-CB 3.43Å; I561-K564 PolarHBondContact O-N 3.31Å; I561-K564 VanDerWaalsContact O-N 3.15Å; D562-K564 PolarHBondContact O-N 3.07Å; K564-I568 WeakPolarHBondContact O-CD1 3.1Å; K564-I568 VanDerWaalsContact O-CG1 3.31Å; K564-I568 WeakPolarHBondContact O-CG1 3.49Å; K564-I568 PolarHBondContact O-N 3.13Å; K564-I568 VanDerWaalsContact O-N 3.07Å; K564-A604 WeakPolarHBondContact CE-O 3.03Å; K564-A607 VanDerWaalsContact CE-CB 3.43Å; K564-L608 HydrophobicContact CB-CD1 4.19Å; K564-L608 HydrophobicContact CG-CB 3.91Å; K564-L608 HydrophobicContact CG-CD1 4.43Å; K564-L611 HydrophobicContact CB-CD1 4.34Å; K564-L611 HydrophobicContact CG-CD1 4.5Å
565	R	96.9	Very high	95.7	Very high	117 Å²	117	68.5 Å²	68.5	44%	0.442	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-43.3	172.9	-74.1	170.4	168.4	168.1	-10.3	111.3	I561 D562 I568 S569 L608	I561-R565 WeakPolarHBondContact O-CG 3.45Å; I561-R565 PolarHBondContact O-N 3.11Å; D562-R565 WeakPolarHBondContact O-CB 3.43Å; D562-R565 PolarHBondContact O-N 3.31Å; D562-R565 IonicContact OD1-NH1 3.12Å; D562-R565 PolarHBondContact OD1-NH1 2.88Å; D562-R565 VanDerWaalsContact OD1-NH1 3.1Å; R565-I568 PolarHBondContact O-N 2.93Å; R565-S569 PolarHBondContact O-N 3.3Å; R565-L608 HydrophobicContact CG-CD1 3.92Å; R565-L608 HydrophobicContact CG-CD2 3.95Å
566	E	96.5	Very high	95.4	Very high	124 Å²	124	70.8 Å²	70.8	58%	0.579	36%	0.356	S	S	*	.	H	α-helix	trans	-58.8	-50.7	174.6	-174.7	173.4	-153.7	0	0	111	D562 I568 S569 E570	D562-E566 PolarHBondContact O-N 3.47Å; E566-I568 VanDerWaalsContact C-N 3.26Å; E566-I568 PolarHBondContact O-N 3.38Å; E566-S569 WeakPolarHBondContact O-CA 3.43Å; E566-S569 VanDerWaalsContact O-CB 3.28Å; E566-S569 WeakPolarHBondContact O-CB 3.26Å; E566-S569 PolarHBondContact O-N 3.09Å; E566-E570 PolarHBondContact O-N 2.93Å
567	Q	95	Very high	95.2	Very high	71 Å²	71	72.5 Å²	72.5	33%	0.332	36%	0.361	S	S	.	.	H	α-helix	trans	-55.5	-39.7	174.6	-176.4	178.4	43.3	0	0	112.8	A563 I571	A563-Q567 PolarHBondContact O-N 2.77Å; A563-Q567 VanDerWaalsContact O-N 3.1Å; Q567-I571 HydrophobicContact CG-CD1 3.82Å; Q567-I571 WeakPolarHBondContact O-CB 3.47Å; Q567-I571 WeakPolarHBondContact O-CD1 3.18Å; Q567-I571 WeakPolarHBondContact O-CG1 3.13Å; Q567-I571 PolarHBondContact O-N 3Å; Q567-I571 VanDerWaalsContact O-N 3.09Å
568	I	96	Very high	94.9	Very high	22 Å²	22	73.2 Å²	73.2	11%	0.113	37%	0.365	C	S	.	.	H	α-helix	trans	-66.9	-39.6	176.6	-75.1	163.8	0	0	0	111.1	K564 R565 E566 T572 L601 A604 K605 L608	K564-I568 WeakPolarHBondContact O-CD1 3.1Å; K564-I568 VanDerWaalsContact O-CG1 3.31Å; K564-I568 WeakPolarHBondContact O-CG1 3.49Å; K564-I568 PolarHBondContact O-N 3.13Å; K564-I568 VanDerWaalsContact O-N 3.07Å; R565-I568 PolarHBondContact O-N 2.93Å; E566-I568 VanDerWaalsContact C-N 3.26Å; E566-I568 PolarHBondContact O-N 3.38Å; I568-T572 WeakPolarHBondContact O-CB 3.39Å; I568-T572 PolarHBondContact O-N 3Å; I568-T572 PolarHBondContact O-OG1 3.44Å; I568-L601 HydrophobicContact CG2-CD1 3.92Å; I568-A604 HydrophobicContact CD1-CB 4.4Å; I568-A604 HydrophobicContact CG1-CB 3.72Å; I568-K605 HydrophobicContact CD1-CG 4.05Å; I568-K605 HydrophobicContact CG1-CG 4.37Å; I568-K605 HydrophobicContact CG2-CG 4.42Å; I568-L608 HydrophobicContact CD1-CB 3.71Å; I568-L608 HydrophobicContact CD1-CD2 3.5Å; I568-L608 VanDerWaalsContact CD1-CD2 3.5Å; I568-L608 HydrophobicContact CD1-CG 4.19Å
569	S	95.9	Very high	94.6	Very high	81 Å²	81	73.9 Å²	73.9	57%	0.566	37%	0.367	S	S	*	.	H	α-helix	trans	-61.4	-49	176.9	-168.8	0	0	0	0	111.2	R565 E566 T572 S573	R565-S569 PolarHBondContact O-N 3.3Å; E566-S569 WeakPolarHBondContact O-CA 3.43Å; E566-S569 VanDerWaalsContact O-CB 3.28Å; E566-S569 WeakPolarHBondContact O-CB 3.26Å; E566-S569 PolarHBondContact O-N 3.09Å; S569-T572 WeakPolarHBondContact O-CB 3.35Å; S569-T572 PolarHBondContact O-N 2.84Å; S569-S573 PolarHBondContact O-N 2.93Å
570	E	95	Very high	94.2	Very high	118 Å²	118	70 Å²	70	55%	0.551	36%	0.358	S	S	*	.	H	α-helix	trans	-57.6	-53.3	176.9	-68.6	175.2	171.4	0	0	112	E566 T572 S573 E574	E566-E570 PolarHBondContact O-N 2.93Å; E570-T572 PolarHBondContact O-N 3.23Å; E570-S573 WeakPolarHBondContact O-CB 3.12Å; E570-S573 PolarHBondContact O-N 3.32Å; E570-S573 VanDerWaalsContact O-N 3.15Å; E570-E574 PolarHBondContact O-N 3Å
571	I	93.7	Very high	93.7	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-36.3	178.9	-65.1	167.5	0	0	0	110.7	Q567 A575 L597 R600 L601 A604	Q567-I571 HydrophobicContact CG-CD1 3.82Å; Q567-I571 WeakPolarHBondContact O-CB 3.47Å; Q567-I571 WeakPolarHBondContact O-CD1 3.18Å; Q567-I571 WeakPolarHBondContact O-CG1 3.13Å; Q567-I571 PolarHBondContact O-N 3Å; Q567-I571 VanDerWaalsContact O-N 3.09Å; I571-A575 WeakPolarHBondContact O-CB 3.43Å; I571-A575 PolarHBondContact O-N 2.83Å; I571-L597 HydrophobicContact CG2-CD2 4.27Å; I571-R600 HydrophobicContact CD1-CB 4.41Å; I571-L601 HydrophobicContact CB-CD1 4.34Å; I571-L601 HydrophobicContact CG2-CB 3.76Å; I571-L601 HydrophobicContact CG2-CD1 4.07Å; I571-L601 HydrophobicContact CG2-CG 4.45Å; I571-A604 HydrophobicContact CD1-CB 4.29Å
572	T	94.6	Very high	93.1	Very high	40 Å²	40	69 Å²	69	25%	0.245	35%	0.353	C	S	.	.	H	α-helix	trans	-67.5	-41.5	177.9	-60.7	0	0	0	0	111.3	I568 S569 E570 K576 L601	I568-T572 WeakPolarHBondContact O-CB 3.39Å; I568-T572 PolarHBondContact O-N 3Å; I568-T572 PolarHBondContact O-OG1 3.44Å; S569-T572 WeakPolarHBondContact O-CB 3.35Å; S569-T572 PolarHBondContact O-N 2.84Å; E570-T572 PolarHBondContact O-N 3.23Å; T572-K576 WeakPolarHBondContact O-CG 3.44Å; T572-K576 PolarHBondContact O-N 3.07Å; T572-L601 WeakPolarHBondContact OG1-CD1 3.26Å
573	S	94.1	Very high	92.5	Very high	79 Å²	79	73 Å²	73	55%	0.552	37%	0.367	S	S	*	.	H	α-helix	trans	-63.6	-48.6	175.6	-166.9	0	0	0	0	111.2	S569 E570 A575 K576 Q577	S569-S573 PolarHBondContact O-N 2.93Å; E570-S573 WeakPolarHBondContact O-CB 3.12Å; E570-S573 PolarHBondContact O-N 3.32Å; E570-S573 VanDerWaalsContact O-N 3.15Å; S573-A575 VanDerWaalsContact C-N 3.34Å; S573-A575 PolarHBondContact O-N 3.35Å; S573-K576 WeakPolarHBondContact O-CB 3.39Å; S573-K576 PolarHBondContact O-N 3.26Å; S573-K576 VanDerWaalsContact O-N 3.12Å; S573-Q577 PolarHBondContact O-N 3.17Å
574	E	93.5	Very high	91.9	Very high	85 Å²	85	76.1 Å²	76.1	40%	0.397	38%	0.376	S	S	.	.	H	α-helix	trans	-58.9	-44.4	176.7	-165	-170.3	166.2	0	0	111.4	E570 K576 Q577 I578 L597	E570-E574 PolarHBondContact O-N 3Å; E574-K576 VanDerWaalsContact C-N 3.32Å; E574-K576 PolarHBondContact O-N 3.2Å; E574-Q577 PolarHBondContact O-N 3.01Å; E574-I578 HydrophobicContact CG-CD1 4.45Å; E574-I578 WeakPolarHBondContact O-CG1 3.34Å; E574-I578 PolarHBondContact O-N 2.83Å; E574-L597 HydrophobicContact CB-CD1 4.1Å; E574-L597 HydrophobicContact CG-CD1 3.67Å; E574-L597 HydrophobicContact CG-CD2 4.34Å; E574-L597 VanDerWaalsContact OE2-CD2 3.28Å; E574-L597 WeakPolarHBondContact OE2-CD2 3.09Å
575	A	91.7	Very high	91.2	Very high	9 Å²	9	79.8 Å²	79.8	7%	0.074	39%	0.394	C	S	.	.	H	α-helix	trans	-65.1	-34.7	178	0	0	0	0	0	112.6	I571 S573 K579 Y594 L597	I571-A575 WeakPolarHBondContact O-CB 3.43Å; I571-A575 PolarHBondContact O-N 2.83Å; S573-A575 VanDerWaalsContact C-N 3.34Å; S573-A575 PolarHBondContact O-N 3.35Å; A575-K579 WeakPolarHBondContact O-CB 3.27Å; A575-K579 PolarHBondContact O-N 2.89Å; A575-Y594 HydrophobicContact CB-CD2 4.43Å; A575-Y594 HydrophobicContact CB-CE2 4.24Å; A575-Y594 WeakPolarHBondContact O-CD2 3.44Å; A575-Y594 WeakPolarHBondContact O-CE2 3.34Å; A575-L597 HydrophobicContact CB-CB 4.17Å; A575-L597 HydrophobicContact CB-CD1 4.31Å
576	K	91.7	Very high	90.4	Very high	147 Å²	147	82.4 Å²	82.4	64%	0.639	41%	0.408	S	S	*	.	H	α-helix	trans	-66	-45.6	173.8	-77.2	175.2	-179.8	-178.9	0	111	T572 S573 E574 K579 A580	T572-K576 WeakPolarHBondContact O-CG 3.44Å; T572-K576 PolarHBondContact O-N 3.07Å; S573-K576 WeakPolarHBondContact O-CB 3.39Å; S573-K576 PolarHBondContact O-N 3.26Å; S573-K576 VanDerWaalsContact O-N 3.12Å; E574-K576 VanDerWaalsContact C-N 3.32Å; E574-K576 PolarHBondContact O-N 3.2Å; K576-K579 PolarHBondContact O-N 2.98Å; K576-A580 PolarHBondContact O-N 3.44Å
577	Q	91	Very high	89.8	Confident	112 Å²	112	80.8 Å²	80.8	52%	0.523	40%	0.401	S	S	.	.	H	α-helix	trans	-62.5	-50.5	178.6	-173	59.9	43.3	0	0	111.6	S573 E574 K579 A580 D581	S573-Q577 PolarHBondContact O-N 3.17Å; E574-Q577 PolarHBondContact O-N 3.01Å; Q577-K579 VanDerWaalsContact C-N 3.26Å; Q577-K579 PolarHBondContact O-N 2.91Å; Q577-A580 WeakPolarHBondContact O-CB 3.48Å; Q577-A580 PolarHBondContact O-N 2.84Å; Q577-D581 PolarHBondContact NE2-OD1 3.03Å; Q577-D581 PolarHBondContact O-N 2.91Å
578	I	89.5	Confident	89.3	Confident	22 Å²	22	81 Å²	81	11%	0.113	41%	0.414	C	S	.	.	H	α-helix	trans	-63.2	-33.8	179.5	-64.6	-167.7	0	0	0	111.6	E574 Y582 K590 A593 L597	E574-I578 HydrophobicContact CG-CD1 4.45Å; E574-I578 WeakPolarHBondContact O-CG1 3.34Å; E574-I578 PolarHBondContact O-N 2.83Å; I578-Y582 WeakPolarHBondContact O-CB 3.3Å; I578-Y582 PolarHBondContact O-N 3.02Å; I578-K590 HydrophobicContact CG2-CB 4.33Å; I578-K590 HydrophobicContact CG2-CD 4.23Å; I578-K590 VanDerWaalsContact CG2-O 3.32Å; I578-K590 WeakPolarHBondContact CG2-O 3.4Å; I578-A593 HydrophobicContact CD1-CB 3.93Å; I578-A593 HydrophobicContact CG2-CB 4.1Å; I578-L597 HydrophobicContact CD1-CD1 3.6Å; I578-L597 HydrophobicContact CG1-CD1 4.26Å
579	K	89.3	Confident	88.9	Confident	94 Å²	94	83.6 Å²	83.6	41%	0.409	43%	0.434	S	S	.	.	H	α-helix	trans	-66	-39.1	174.2	-171.8	179.3	-175.1	176.6	0	111.9	A575 K576 Q577 K583 Y594	A575-K579 WeakPolarHBondContact O-CB 3.27Å; A575-K579 PolarHBondContact O-N 2.89Å; K576-K579 PolarHBondContact O-N 2.98Å; Q577-K579 VanDerWaalsContact C-N 3.26Å; Q577-K579 PolarHBondContact O-N 2.91Å; K579-K583 WeakPolarHBondContact O-CG 3.39Å; K579-K583 PolarHBondContact O-N 2.7Å; K579-K583 VanDerWaalsContact O-N 3.08Å; K579-Y594 HydrophobicContact CB-CD2 3.94Å; K579-Y594 HydrophobicContact CB-CE2 3.78Å; K579-Y594 HydrophobicContact CD-CE2 4.02Å; K579-Y594 HydrophobicContact CG-CE2 4.16Å
580	A	89.3	Confident	88.4	Confident	40 Å²	40	82.5 Å²	82.5	33%	0.331	42%	0.42	S	S	.	.	H	α-helix	trans	-66.2	-47.5	174.8	0	0	0	0	0	111.2	K576 Q577 Y582 K583 N584	K576-A580 PolarHBondContact O-N 3.44Å; Q577-A580 WeakPolarHBondContact O-CB 3.48Å; Q577-A580 PolarHBondContact O-N 2.84Å; A580-Y582 VanDerWaalsContact C-N 3.29Å; A580-Y582 PolarHBondContact O-N 3.16Å; A580-K583 WeakPolarHBondContact O-CB 3.27Å; A580-K583 PolarHBondContact O-N 3.19Å; A580-K583 VanDerWaalsContact O-N 3.09Å; A580-N584 PolarHBondContact O-N 3.27Å
581	D	87	Confident	88	Confident	36 Å²	36	82.2 Å²	82.2	19%	0.193	42%	0.416	C	S	.	.	H	α-helix	trans	-57.5	-41.9	175.4	-66.2	-1.3	0	0	0	111.8	Q577 N584 H585 K590	Q577-D581 PolarHBondContact NE2-OD1 3.03Å; Q577-D581 PolarHBondContact O-N 2.91Å; D581-N584 PolarHBondContact O-N 2.77Å; D581-H585 WeakPolarHBondContact O-CB 3.41Å; D581-H585 PolarHBondContact O-N 2.91Å; D581-K590 HydrophobicContact CB-CD 4.05Å; D581-K590 IonicContact OD2-NZ 2.7Å; D581-K590 PolarHBondContact OD2-NZ 3.38Å
582	Y	84.5	Confident	87.8	Confident	79 Å²	79	85.9 Å²	85.9	31%	0.31	44%	0.439	S	S	.	.	H	α-helix	trans	-64.1	-40.9	176.7	175.5	-114	0	0	0	112	I578 A580 N584 K586 Q587 K590 K591	I578-Y582 WeakPolarHBondContact O-CB 3.3Å; I578-Y582 PolarHBondContact O-N 3.02Å; A580-Y582 VanDerWaalsContact C-N 3.29Å; A580-Y582 PolarHBondContact O-N 3.16Å; Y582-N584 VanDerWaalsContact C-N 3.3Å; Y582-N584 PolarHBondContact O-N 3.29Å; Y582-K586 VanDerWaalsContact O-CA 3.26Å; Y582-K586 WeakPolarHBondContact O-CA 3.49Å; Y582-K586 PolarHBondContact O-N 2.91Å; Y582-Q587 WeakPolarHBondContact CD2-O 3.37Å; Y582-K590 HydrophobicContact CD2-CB 4.34Å; Y582-K591 HydrophobicContact CD2-CB 4.04Å; Y582-K591 HydrophobicContact CE2-CB 3.74Å; Y582-K591 HydrophobicContact CE2-CD 4.48Å; Y582-K591 HydrophobicContact CE2-CG 4.37Å
583	K	85.1	Confident	87.6	Confident	150 Å²	150	85.5 Å²	85.5	65%	0.652	44%	0.44	S	S	*	.	H	α-helix	trans	-62	-39.4	174.8	-78.8	-174.5	173.3	-167.9	0	111.8	K579 A580	K579-K583 WeakPolarHBondContact O-CG 3.39Å; K579-K583 PolarHBondContact O-N 2.7Å; K579-K583 VanDerWaalsContact O-N 3.08Å; A580-K583 WeakPolarHBondContact O-CB 3.27Å; A580-K583 PolarHBondContact O-N 3.19Å; A580-K583 VanDerWaalsContact O-N 3.09Å
584	N	84.5	Confident	87.4	Confident	122 Å²	122	84.3 Å²	84.3	65%	0.652	42%	0.423	S	S	*	.	H	α-helix	trans	-78.8	-33.7	-176.6	-68.3	-11.3	0	0	0	113.2	A580 D581 Y582	A580-N584 PolarHBondContact O-N 3.27Å; D581-N584 PolarHBondContact O-N 2.77Å; Y582-N584 VanDerWaalsContact C-N 3.3Å; Y582-N584 PolarHBondContact O-N 3.29Å
585	H	81.2	Confident	87.3	Confident	124 Å²	124	84 Å²	84	57%	0.574	42%	0.422	S	S	*	.	H	α-helix	trans	-118.9	-10	-169.6	-60.9	6.4	0	0	0	114.2	D581 Q587	D581-H585 WeakPolarHBondContact O-CB 3.41Å; D581-H585 PolarHBondContact O-N 2.91Å; H585-Q587 HydrophobicContact CB-CG 4.11Å; H585-Q587 PolarHBondContact O-N 3.41Å
586	K	80	Confident	87.3	Confident	172 Å²	172	90.3 Å²	90.3	75%	0.748	45%	0.448	S	S	*	.			trans	50.9	22	-179.6	-64.3	-175.2	179.3	177	0	115.7	Y582	Y582-K586 VanDerWaalsContact O-CA 3.26Å; Y582-K586 WeakPolarHBondContact O-CA 3.49Å; Y582-K586 PolarHBondContact O-N 2.91Å
587	Q	83.3	Confident	87.4	Confident	90 Å²	90	83.6 Å²	83.6	42%	0.421	42%	0.419	S	S	.	.			trans	-70.1	132.3	-179.2	-68.2	179.8	4.7	0	0	112.2	Y582 H585 S589 K590 K591	Y582-Q587 WeakPolarHBondContact CD2-O 3.37Å; H585-Q587 HydrophobicContact CB-CG 4.11Å; H585-Q587 PolarHBondContact O-N 3.41Å; Q587-S589 VanDerWaalsContact C-N 3.28Å; Q587-S589 PolarHBondContact O-N 3.28Å; Q587-K590 HydrophobicContact CB-CB 4.48Å; Q587-K590 HydrophobicContact CB-CG 4.16Å; Q587-K590 PolarHBondContact O-N 3.09Å; Q587-K591 PolarHBondContact O-N 3.09Å
588	A	84.5	Confident	87.5	Confident	75 Å²	75	83.7 Å²	83.7	62%	0.62	42%	0.418	S	S	*	.	H	α-helix	trans	-60.4	-35.3	178.2	0	0	0	0	0	112.9	K590 K591 V592	A588-K590 PolarHBondContact O-N 3.34Å; A588-K591 WeakPolarHBondContact O-CB 3.14Å; A588-K591 PolarHBondContact O-N 2.68Å; A588-V592 PolarHBondContact O-N 3.06Å; A588-V592 VanDerWaalsContact O-N 3.1Å
589	S	87	Confident	87.7	Confident	76 Å²	76	90.2 Å²	90.2	53%	0.531	45%	0.445	S	S	.	.	H	α-helix	trans	-59.3	-42.9	176.4	56.7	0	0	0	0	112.6	Q587 V592 A593	Q587-S589 VanDerWaalsContact C-N 3.28Å; Q587-S589 PolarHBondContact O-N 3.28Å; S589-V592 PolarHBondContact O-N 3.45Å; S589-A593 PolarHBondContact O-N 3.29Å
590	K	85.8	Confident	87.9	Confident	59 Å²	59	91.9 Å²	91.9	26%	0.257	45%	0.449	S	S	.	.	H	α-helix	trans	-67.3	-36	177.7	-65.8	-76	-175.2	164.9	0	111.7	I578 D581 Y582 Q587 A588 A593 Y594	I578-K590 HydrophobicContact CG2-CB 4.33Å; I578-K590 HydrophobicContact CG2-CD 4.23Å; I578-K590 VanDerWaalsContact CG2-O 3.32Å; I578-K590 WeakPolarHBondContact CG2-O 3.4Å; D581-K590 HydrophobicContact CB-CD 4.05Å; D581-K590 IonicContact OD2-NZ 2.7Å; D581-K590 PolarHBondContact OD2-NZ 3.38Å; Y582-K590 HydrophobicContact CD2-CB 4.34Å; Q587-K590 HydrophobicContact CB-CB 4.48Å; Q587-K590 HydrophobicContact CB-CG 4.16Å; Q587-K590 PolarHBondContact O-N 3.09Å; A588-K590 PolarHBondContact O-N 3.34Å; K590-A593 PolarHBondContact O-N 3.4Å; K590-Y594 WeakPolarHBondContact O-CB 3.12Å; K590-Y594 PolarHBondContact O-N 3.27Å
591	K	87	Confident	88.1	Confident	111 Å²	111	91.2 Å²	91.2	48%	0.483	44%	0.439	S	S	.	.	H	α-helix	trans	-60	-47.8	171.8	-171.6	-179.6	179	179.7	0	111.3	Y582 Q587 A588 A593 Y594 E595	Y582-K591 HydrophobicContact CD2-CB 4.04Å; Y582-K591 HydrophobicContact CE2-CB 3.74Å; Y582-K591 HydrophobicContact CE2-CD 4.48Å; Y582-K591 HydrophobicContact CE2-CG 4.37Å; Q587-K591 PolarHBondContact O-N 3.09Å; A588-K591 WeakPolarHBondContact O-CB 3.14Å; A588-K591 PolarHBondContact O-N 2.68Å; K591-A593 PolarHBondContact O-N 3.5Å; K591-Y594 PolarHBondContact O-N 2.72Å; K591-E595 PolarHBondContact O-N 3.13Å
592	V	90.1	Very high	88.4	Confident	82 Å²	82	92.4 Å²	92.4	50%	0.497	45%	0.454	S	S	.	.	H	α-helix	trans	-63.4	-41.1	178	175.4	0	0	0	0	111.5	A588 S589 E595 K596	A588-V592 PolarHBondContact O-N 3.06Å; A588-V592 VanDerWaalsContact O-N 3.1Å; S589-V592 PolarHBondContact O-N 3.45Å; V592-E595 PolarHBondContact O-N 2.82Å; V592-K596 WeakPolarHBondContact O-CG 3.24Å; V592-K596 PolarHBondContact O-N 3.45Å
593	A	89.9	Confident	88.9	Confident	31 Å²	31	92.1 Å²	92.1	26%	0.256	46%	0.464	S	S	.	.	H	α-helix	trans	-62.9	-43.8	176.1	0	0	0	0	0	112.1	I578 S589 K590 K591 E595 K596 L597	I578-A593 HydrophobicContact CD1-CB 3.93Å; I578-A593 HydrophobicContact CG2-CB 4.1Å; S589-A593 PolarHBondContact O-N 3.29Å; K590-A593 PolarHBondContact O-N 3.4Å; K591-A593 PolarHBondContact O-N 3.5Å; A593-E595 PolarHBondContact O-N 2.89Å; A593-K596 PolarHBondContact O-N 2.97Å; A593-L597 PolarHBondContact O-N 2.99Å
594	Y	90.3	Very high	89.3	Confident	54 Å²	54	85.1 Å²	85.1	21%	0.212	43%	0.434	C	S	.	.	H	α-helix	trans	-60.1	-45	175.7	-179.7	-110.4	0	0	0	112.1	A575 K579 K590 K591 K596 L597 K598	A575-Y594 HydrophobicContact CB-CD2 4.43Å; A575-Y594 HydrophobicContact CB-CE2 4.24Å; A575-Y594 WeakPolarHBondContact O-CD2 3.44Å; A575-Y594 WeakPolarHBondContact O-CE2 3.34Å; K579-Y594 HydrophobicContact CB-CD2 3.94Å; K579-Y594 HydrophobicContact CB-CE2 3.78Å; K579-Y594 HydrophobicContact CD-CE2 4.02Å; K579-Y594 HydrophobicContact CG-CE2 4.16Å; K590-Y594 WeakPolarHBondContact O-CB 3.12Å; K590-Y594 PolarHBondContact O-N 3.27Å; K591-Y594 PolarHBondContact O-N 2.72Å; Y594-K596 PolarHBondContact O-N 3.3Å; Y594-L597 PolarHBondContact O-N 2.91Å; Y594-K598 WeakPolarHBondContact O-CB 3.36Å; Y594-K598 PolarHBondContact O-N 3.2Å
595	E	90.6	Very high	89.8	Confident	80 Å²	80	84.7 Å²	84.7	37%	0.374	43%	0.427	S	S	.	.	H	α-helix	trans	-63.3	-39.2	177	-72.3	-58.5	147.7	0	0	112.5	K591 V592 A593 K598 K599	K591-E595 PolarHBondContact O-N 3.13Å; V592-E595 PolarHBondContact O-N 2.82Å; A593-E595 PolarHBondContact O-N 2.89Å; E595-K598 PolarHBondContact O-N 3.16Å; E595-K599 PolarHBondContact O-N 3.39Å; E595-K599 VanDerWaalsContact O-N 3.08Å
596	K	92.8	Very high	90.3	Very high	141 Å²	141	83.2 Å²	83.2	61%	0.613	42%	0.42	S	S	*	.	H	α-helix	trans	-62.3	-44	173.3	-74.5	-180	-179.5	-179.8	0	111.8	V592 A593 Y594 K599 R600	V592-K596 WeakPolarHBondContact O-CG 3.24Å; V592-K596 PolarHBondContact O-N 3.45Å; A593-K596 PolarHBondContact O-N 2.97Å; Y594-K596 PolarHBondContact O-N 3.3Å; K596-K599 PolarHBondContact O-N 2.93Å; K596-R600 WeakPolarHBondContact O-CG 3.37Å; K596-R600 PolarHBondContact O-N 2.95Å
597	L	92.8	Very high	91	Very high	5 Å²	5	76.4 Å²	76.4	3%	0.026	40%	0.396	C	S	.	.	H	α-helix	trans	-65.9	-38.8	176.8	-73.1	174.5	0	0	0	112.3	I571 E574 A575 I578 A593 Y594 K599 R600 L601	I571-L597 HydrophobicContact CG2-CD2 4.27Å; E574-L597 HydrophobicContact CB-CD1 4.1Å; E574-L597 HydrophobicContact CG-CD1 3.67Å; E574-L597 HydrophobicContact CG-CD2 4.34Å; E574-L597 VanDerWaalsContact OE2-CD2 3.28Å; E574-L597 WeakPolarHBondContact OE2-CD2 3.09Å; A575-L597 HydrophobicContact CB-CB 4.17Å; A575-L597 HydrophobicContact CB-CD1 4.31Å; I578-L597 HydrophobicContact CD1-CD1 3.6Å; I578-L597 HydrophobicContact CG1-CD1 4.26Å; A593-L597 PolarHBondContact O-N 2.99Å; Y594-L597 PolarHBondContact O-N 2.91Å; L597-K599 VanDerWaalsContact C-N 3.34Å; L597-K599 PolarHBondContact O-N 2.88Å; L597-R600 PolarHBondContact O-N 3.21Å; L597-L601 VanDerWaalsContact O-CB 3.29Å; L597-L601 WeakPolarHBondContact O-CB 3.43Å; L597-L601 PolarHBondContact O-N 3.37Å
598	K	92.5	Very high	91.5	Very high	115 Å²	115	73.2 Å²	73.2	50%	0.5	38%	0.381	S	S	.	.	H	α-helix	trans	-59.4	-43.7	175	-170.7	-179.5	177	-172.6	0	111.6	Y594 E595 L601 A602	Y594-K598 WeakPolarHBondContact O-CB 3.36Å; Y594-K598 PolarHBondContact O-N 3.2Å; E595-K598 PolarHBondContact O-N 3.16Å; K598-L601 PolarHBondContact O-N 3.33Å; K598-A602 WeakPolarHBondContact O-CB 3.38Å; K598-A602 PolarHBondContact O-N 3Å
599	K	93.8	Very high	92	Very high	159 Å²	159	71.5 Å²	71.5	69%	0.691	37%	0.365	S	S	*	.	H	α-helix	trans	-63.9	-44.8	173.8	-71.6	-177.9	178.9	-176.5	0	112.3	E595 K596 L597 L601 A602 S603	E595-K599 PolarHBondContact O-N 3.39Å; E595-K599 VanDerWaalsContact O-N 3.08Å; K596-K599 PolarHBondContact O-N 2.93Å; L597-K599 VanDerWaalsContact C-N 3.34Å; L597-K599 PolarHBondContact O-N 2.88Å; K599-L601 VanDerWaalsContact C-N 3.34Å; K599-L601 PolarHBondContact O-N 3.49Å; K599-A602 PolarHBondContact O-N 2.99Å; K599-S603 PolarHBondContact O-N 3.31Å
600	R	93.6	Very high	92.3	Very high	129 Å²	129	72.4 Å²	72.4	49%	0.487	36%	0.359	S	S	.	.	H	α-helix	trans	-60.6	-42.8	175.4	-74.5	176.1	66.7	-159.8	-0.7	111.8	I571 K596 L597 S603 A604	I571-R600 HydrophobicContact CD1-CB 4.41Å; K596-R600 WeakPolarHBondContact O-CG 3.37Å; K596-R600 PolarHBondContact O-N 2.95Å; L597-R600 PolarHBondContact O-N 3.21Å; R600-S603 PolarHBondContact O-N 2.86Å; R600-A604 WeakPolarHBondContact O-CB 3.42Å; R600-A604 PolarHBondContact O-N 2.92Å
601	L	94.4	Very high	92.7	Very high	25 Å²	25	71.2 Å²	71.2	13%	0.131	36%	0.356	C	S	.	.	H	α-helix	trans	-62.8	-44.8	177.7	-175.5	60.8	0	0	0	111.3	I568 I571 T572 L597 K598 K599 A604 K605	I568-L601 HydrophobicContact CG2-CD1 3.92Å; I571-L601 HydrophobicContact CB-CD1 4.34Å; I571-L601 HydrophobicContact CG2-CB 3.76Å; I571-L601 HydrophobicContact CG2-CD1 4.07Å; I571-L601 HydrophobicContact CG2-CG 4.45Å; T572-L601 WeakPolarHBondContact OG1-CD1 3.26Å; L597-L601 VanDerWaalsContact O-CB 3.29Å; L597-L601 WeakPolarHBondContact O-CB 3.43Å; L597-L601 PolarHBondContact O-N 3.37Å; K598-L601 PolarHBondContact O-N 3.33Å; K599-L601 VanDerWaalsContact C-N 3.34Å; K599-L601 PolarHBondContact O-N 3.49Å; L601-A604 PolarHBondContact O-N 2.95Å; L601-K605 HydrophobicContact CD1-CD 4.49Å; L601-K605 HydrophobicContact CD1-CG 4.43Å; L601-K605 HydrophobicContact CG-CD 4.28Å; L601-K605 WeakPolarHBondContact O-CB 3.19Å; L601-K605 WeakPolarHBondContact O-CG 3.48Å; L601-K605 PolarHBondContact O-N 3.39Å
602	A	93.2	Very high	93.1	Very high	61 Å²	61	69.4 Å²	69.4	50%	0.504	35%	0.349	S	S	.	.	H	α-helix	trans	-59.7	-48.3	176.8	0	0	0	0	0	111.6	K598 K599 A604 K605 E606	K598-A602 WeakPolarHBondContact O-CB 3.38Å; K598-A602 PolarHBondContact O-N 3Å; K599-A602 PolarHBondContact O-N 2.99Å; A602-A604 PolarHBondContact O-N 3.44Å; A602-K605 PolarHBondContact O-N 3.24Å; A602-E606 PolarHBondContact O-N 3.48Å
603	S	94	Very high	93.2	Very high	74 Å²	74	67.4 Å²	67.4	52%	0.517	34%	0.335	S	S	.	.	H	α-helix	trans	-62.8	-40.1	176.6	-178.3	0	0	0	0	112.7	K599 R600 E606 A607	K599-S603 PolarHBondContact O-N 3.31Å; R600-S603 PolarHBondContact O-N 2.86Å; S603-E606 PolarHBondContact O-N 3.25Å; S603-A607 WeakPolarHBondContact O-CB 3.26Å; S603-A607 PolarHBondContact O-N 3.44Å
604	A	94.6	Very high	93.4	Very high	3 Å²	3	70 Å²	70	3%	0.025	34%	0.342	C	S	.	.	H	α-helix	trans	-65	-43.2	177	0	0	0	0	0	111.8	K564 I568 I571 R600 L601 A602 A607 L608	K564-A604 WeakPolarHBondContact CE-O 3.03Å; I568-A604 HydrophobicContact CD1-CB 4.4Å; I568-A604 HydrophobicContact CG1-CB 3.72Å; I571-A604 HydrophobicContact CD1-CB 4.29Å; R600-A604 WeakPolarHBondContact O-CB 3.42Å; R600-A604 PolarHBondContact O-N 2.92Å; L601-A604 PolarHBondContact O-N 2.95Å; A602-A604 PolarHBondContact O-N 3.44Å; A604-A607 PolarHBondContact O-N 3.06Å; A604-L608 PolarHBondContact O-N 2.91Å
605	K	94.1	Very high	93.6	Very high	113 Å²	113	68 Å²	68	49%	0.491	34%	0.337	S	S	.	.	H	α-helix	trans	-62.9	-42.2	175	-75.3	-179.4	176	-173.3	0	112.4	I568 L601 A602 L608 S609	I568-K605 HydrophobicContact CD1-CG 4.05Å; I568-K605 HydrophobicContact CG1-CG 4.37Å; I568-K605 HydrophobicContact CG2-CG 4.42Å; L601-K605 HydrophobicContact CD1-CD 4.49Å; L601-K605 HydrophobicContact CD1-CG 4.43Å; L601-K605 HydrophobicContact CG-CD 4.28Å; L601-K605 WeakPolarHBondContact O-CB 3.19Å; L601-K605 WeakPolarHBondContact O-CG 3.48Å; L601-K605 PolarHBondContact O-N 3.39Å; A602-K605 PolarHBondContact O-N 3.24Å; K605-L608 PolarHBondContact O-N 3.32Å; K605-S609 PolarHBondContact O-N 2.87Å
606	E	92.7	Very high	93.8	Very high	92 Å²	92	66.6 Å²	66.6	43%	0.43	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-44.3	175.6	-168.8	-163.9	156.8	0	0	111.5	A602 S603 S609 K610	A602-E606 PolarHBondContact O-N 3.48Å; S603-E606 PolarHBondContact O-N 3.25Å; E606-S609 WeakPolarHBondContact O-CB 3.46Å; E606-S609 PolarHBondContact O-N 3.48Å; E606-K610 WeakPolarHBondContact O-CG 3.42Å; E606-K610 PolarHBondContact O-N 3.19Å; E606-K610 VanDerWaalsContact OE1-CE 3.22Å; E606-K610 WeakPolarHBondContact OE1-CE 3.41Å; E606-K610 IonicContact OE1-NZ 3.2Å; E606-K610 PolarHBondContact OE1-NZ 2.96Å
607	A	93.5	Very high	93.8	Very high	30 Å²	30	61.6 Å²	61.6	25%	0.248	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-37	176.3	0	0	0	0	0	112.7	K564 S603 A604 K610 L611	K564-A607 VanDerWaalsContact CE-CB 3.43Å; S603-A607 WeakPolarHBondContact O-CB 3.26Å; S603-A607 PolarHBondContact O-N 3.44Å; A604-A607 PolarHBondContact O-N 3.06Å; A607-K610 PolarHBondContact O-N 3.33Å; A607-L611 WeakPolarHBondContact O-CG 3.46Å; A607-L611 PolarHBondContact O-N 3.07Å; A607-L611 VanDerWaalsContact O-N 3.1Å
608	L	95	Very high	93.8	Very high	22 Å²	22	65.2 Å²	65.2	12%	0.115	33%	0.327	C	S	.	.	H	α-helix	trans	-61.6	-48.2	171.8	175.9	64.1	0	0	0	110.7	I561 K564 R565 I568 A604 K605 K610 L611 Q612	I561-L608 HydrophobicContact CG2-CD1 3.9Å; K564-L608 HydrophobicContact CB-CD1 4.19Å; K564-L608 HydrophobicContact CG-CB 3.91Å; K564-L608 HydrophobicContact CG-CD1 4.43Å; R565-L608 HydrophobicContact CG-CD1 3.92Å; R565-L608 HydrophobicContact CG-CD2 3.95Å; I568-L608 HydrophobicContact CD1-CB 3.71Å; I568-L608 HydrophobicContact CD1-CD2 3.5Å; I568-L608 VanDerWaalsContact CD1-CD2 3.5Å; I568-L608 HydrophobicContact CD1-CG 4.19Å; A604-L608 PolarHBondContact O-N 2.91Å; K605-L608 PolarHBondContact O-N 3.32Å; L608-K610 VanDerWaalsContact C-N 3.3Å; L608-K610 PolarHBondContact O-N 2.99Å; L608-L611 PolarHBondContact O-N 3.28Å; L608-L611 VanDerWaalsContact O-N 3.12Å; L608-Q612 HydrophobicContact CD1-CG 4.08Å; L608-Q612 HydrophobicContact CG-CG 4.31Å; L608-Q612 WeakPolarHBondContact O-CG 3.49Å; L608-Q612 PolarHBondContact O-N 2.79Å
609	S	93.3	Very high	93.8	Very high	40 Å²	40	63 Å²	63	28%	0.28	32%	0.321	S	S	.	.	H	α-helix	trans	-55.7	-44.8	176.8	172.4	0	0	0	0	111.6	H523 K605 E606 L611 Q612 L613	H523-S609 PolarHBondContact NE2-OG 3.27Å; K605-S609 PolarHBondContact O-N 2.87Å; E606-S609 WeakPolarHBondContact O-CB 3.46Å; E606-S609 PolarHBondContact O-N 3.48Å; S609-L611 PolarHBondContact O-N 3.21Å; S609-Q612 PolarHBondContact O-N 3.37Å; S609-L613 WeakPolarHBondContact O-CB 3.38Å; S609-L613 VanDerWaalsContact O-CG 3.28Å; S609-L613 WeakPolarHBondContact O-CG 3.45Å; S609-L613 PolarHBondContact O-N 3.4Å
610	K	93.4	Very high	93.8	Very high	94 Å²	94	58.4 Å²	58.4	41%	0.409	30%	0.302	S	S	.	.	H	α-helix	trans	-59.7	-44	175.5	-73.3	174.1	-174.4	169.7	0	112.8	H523 E606 A607 L608 Q614	H523-K610 HydrophobicContact CB-CG 4.18Å; E606-K610 WeakPolarHBondContact O-CG 3.42Å; E606-K610 PolarHBondContact O-N 3.19Å; E606-K610 VanDerWaalsContact OE1-CE 3.22Å; E606-K610 WeakPolarHBondContact OE1-CE 3.41Å; E606-K610 IonicContact OE1-NZ 3.2Å; E606-K610 PolarHBondContact OE1-NZ 2.96Å; A607-K610 PolarHBondContact O-N 3.33Å; L608-K610 VanDerWaalsContact C-N 3.3Å; L608-K610 PolarHBondContact O-N 2.99Å; K610-Q614 WeakPolarHBondContact O-CB 3.45Å; K610-Q614 PolarHBondContact O-N 2.98Å
611	L	95.2	Very high	93.7	Very high	35 Å²	35	52.6 Å²	52.6	18%	0.183	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-41.6	178.3	-71.9	170.2	0	0	0	112.1	L557 K560 I561 K564 A607 L608 S609 Q614 A615	L557-L611 HydrophobicContact CD1-CD2 3.82Å; K560-L611 HydrophobicContact CB-CD1 4.27Å; I561-L611 HydrophobicContact CD1-CB 4.45Å; I561-L611 HydrophobicContact CG1-CB 3.73Å; K564-L611 HydrophobicContact CB-CD1 4.34Å; K564-L611 HydrophobicContact CG-CD1 4.5Å; A607-L611 WeakPolarHBondContact O-CG 3.46Å; A607-L611 PolarHBondContact O-N 3.07Å; A607-L611 VanDerWaalsContact O-N 3.1Å; L608-L611 PolarHBondContact O-N 3.28Å; L608-L611 VanDerWaalsContact O-N 3.12Å; S609-L611 PolarHBondContact O-N 3.21Å; L611-Q614 PolarHBondContact O-N 3.48Å; L611-A615 PolarHBondContact O-N 3.35Å
612	Q	95	Very high	93.5	Very high	72 Å²	72	54.4 Å²	54.4	34%	0.336	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-47	177	-71.7	177	-49.6	0	0	111.1	I561 L608 S609 Q614 A615 T616	I561-Q612 HydrophobicContact CD1-CG 4.44Å; I561-Q612 HydrophobicContact CG2-CG 4.4Å; L608-Q612 HydrophobicContact CD1-CG 4.08Å; L608-Q612 HydrophobicContact CG-CG 4.31Å; L608-Q612 WeakPolarHBondContact O-CG 3.49Å; L608-Q612 PolarHBondContact O-N 2.79Å; S609-Q612 PolarHBondContact O-N 3.37Å; Q612-Q614 VanDerWaalsContact C-N 3.31Å; Q612-Q614 PolarHBondContact O-N 2.93Å; Q612-A615 WeakPolarHBondContact O-CB 3.43Å; Q612-A615 PolarHBondContact O-N 2.9Å; Q612-A615 VanDerWaalsContact O-N 3.09Å; Q612-T616 PolarHBondContact O-N 3.46Å; Q612-T616 PolarHBondContact O-OG1 3.12Å
613	L	93.3	Very high	93.5	Very high	41 Å²	41	56.6 Å²	56.6	22%	0.215	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-35.7	177.7	-68.6	166.1	0	0	0	111.8	H523 A524 L527 S609 A615 T616 D617	H523-L613 WeakPolarHBondContact CD2-CD1 3.45Å; A524-L613 HydrophobicContact CB-CD1 4.36Å; L527-L613 HydrophobicContact CD2-CB 4.45Å; L527-L613 HydrophobicContact CD2-CD2 3.32Å; L527-L613 HydrophobicContact CD2-CG 4.44Å; S609-L613 WeakPolarHBondContact O-CB 3.38Å; S609-L613 VanDerWaalsContact O-CG 3.28Å; S609-L613 WeakPolarHBondContact O-CG 3.45Å; S609-L613 PolarHBondContact O-N 3.4Å; L613-A615 VanDerWaalsContact C-N 3.35Å; L613-T616 PolarHBondContact O-N 3.34Å; L613-D617 WeakPolarHBondContact O-CB 3.44Å; L613-D617 PolarHBondContact O-N 3.1Å
614	Q	92.8	Very high	93.5	Very high	84 Å²	84	54.4 Å²	54.4	39%	0.393	27%	0.269	S	S	.	.	H	α-helix	trans	-64.7	-37.3	172	-174.8	177.6	23.2	0	0	112.5	L557 K610 L611 Q612 R618	L557-Q614 HydrophobicContact CD2-CG 4.27Å; K610-Q614 WeakPolarHBondContact O-CB 3.45Å; K610-Q614 PolarHBondContact O-N 2.98Å; L611-Q614 PolarHBondContact O-N 3.48Å; Q612-Q614 VanDerWaalsContact C-N 3.31Å; Q612-Q614 PolarHBondContact O-N 2.93Å; Q614-R618 WeakPolarHBondContact O-CB 3.23Å; Q614-R618 VanDerWaalsContact O-CG 3.32Å; Q614-R618 WeakPolarHBondContact O-CG 3.42Å; Q614-R618 PolarHBondContact O-N 3.16Å; Q614-R618 VanDerWaalsContact O-N 3.07Å
615	A	94.8	Very high	93.4	Very high	13 Å²	13	55.2 Å²	55.2	11%	0.107	28%	0.276	C	S	.	.	H	α-helix	trans	-66.7	-46.3	176.6	0	0	0	0	0	110.9	M554 L557 I561 L611 Q612 L613 R618 D619	M554-A615 HydrophobicContact CE-CB 4.19Å; L557-A615 VanDerWaalsContact CD2-CA 3.49Å; L557-A615 HydrophobicContact CD2-CB 3.66Å; L557-A615 HydrophobicContact CG-CB 4.21Å; I561-A615 HydrophobicContact CD1-CB 3.86Å; L611-A615 PolarHBondContact O-N 3.35Å; Q612-A615 WeakPolarHBondContact O-CB 3.43Å; Q612-A615 PolarHBondContact O-N 2.9Å; Q612-A615 VanDerWaalsContact O-N 3.09Å; L613-A615 VanDerWaalsContact C-N 3.35Å; A615-R618 PolarHBondContact O-N 2.95Å; A615-D619 PolarHBondContact O-N 2.96Å
616	T	94.4	Very high	93.3	Very high	50 Å²	50	51.2 Å²	51.2	31%	0.307	26%	0.26	S	S	.	.	H	α-helix	trans	-57.6	-50	173.4	-58	0	0	0	0	111.6	L527 Q612 L613 R618 D619 E620	L527-T616 HydrophobicContact CD2-CG2 4.48Å; Q612-T616 PolarHBondContact O-N 3.46Å; Q612-T616 PolarHBondContact O-OG1 3.12Å; L613-T616 PolarHBondContact O-N 3.34Å; T616-R618 VanDerWaalsContact C-N 3.29Å; T616-R618 PolarHBondContact O-N 2.92Å; T616-D619 PolarHBondContact O-N 3.11Å; T616-E620 VanDerWaalsContact CG2-CD 3.43Å; T616-E620 HydrophobicContact CG2-CG 4.01Å; T616-E620 VanDerWaalsContact CG2-OE1 3.23Å; T616-E620 WeakPolarHBondContact CG2-OE1 3.33Å; T616-E620 WeakPolarHBondContact O-CB 3.47Å; T616-E620 VanDerWaalsContact O-CG 3.25Å; T616-E620 WeakPolarHBondContact O-CG 3.45Å; T616-E620 PolarHBondContact O-N 3.2Å
617	D	92.7	Very high	93.3	Very high	37 Å²	37	50.5 Å²	50.5	20%	0.198	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-38.8	179.6	-171.6	49.2	0	0	0	112.4	L527 N530 R534 L613 N621	L527-D617 HydrophobicContact CD1-CB 3.84Å; N530-D617 VanDerWaalsContact CB-OD1 3.29Å; N530-D617 WeakPolarHBondContact CB-OD1 3.37Å; N530-D617 VanDerWaalsContact ND2-CG 3.3Å; N530-D617 PolarHBondContact ND2-OD1 3.44Å; N530-D617 PolarHBondContact ND2-OD2 2.86Å; R534-D617 IonicContact NH2-OD1 3.37Å; L613-D617 WeakPolarHBondContact O-CB 3.44Å; L613-D617 PolarHBondContact O-N 3.1Å; D617-N621 VanDerWaalsContact O-CB 3.25Å; D617-N621 WeakPolarHBondContact O-CB 3.41Å; D617-N621 VanDerWaalsContact O-CG 3.3Å; D617-N621 PolarHBondContact O-N 3Å; D617-N621 PolarHBondContact O-ND2 2.95Å; D617-N621 PolarHBondContact OD1-ND2 2.72Å
618	R	92.3	Very high	93.1	Very high	81 Å²	81	51.8 Å²	51.8	31%	0.306	27%	0.269	S	S	.	.	H	α-helix	trans	-71	-43.7	178.9	-77.7	178.8	171.9	-156.7	-5.4	112.9	S553 M554 Q614 A615 T616 N621 K622	S553-R618 PolarHBondContact OG-NH1 3.15Å; M554-R618 HydrophobicContact SD-CB 3.87Å; Q614-R618 WeakPolarHBondContact O-CB 3.23Å; Q614-R618 VanDerWaalsContact O-CG 3.32Å; Q614-R618 WeakPolarHBondContact O-CG 3.42Å; Q614-R618 PolarHBondContact O-N 3.16Å; Q614-R618 VanDerWaalsContact O-N 3.07Å; A615-R618 PolarHBondContact O-N 2.95Å; T616-R618 VanDerWaalsContact C-N 3.29Å; T616-R618 PolarHBondContact O-N 2.92Å; R618-N621 PolarHBondContact O-N 3.27Å; R618-K622 PolarHBondContact O-N 3Å
619	D	93.2	Very high	93	Very high	68 Å²	68	50.7 Å²	50.7	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-69.1	-47.5	-179.2	-175	55.6	0	0	0	111.6	M554 A615 T616 N621 K622	M554-D619 HydrophobicContact CE-CB 4.31Å; A615-D619 PolarHBondContact O-N 2.96Å; T616-D619 PolarHBondContact O-N 3.11Å; D619-N621 PolarHBondContact O-N 3.03Å; D619-N621 VanDerWaalsContact O-N 3.11Å; D619-K622 WeakPolarHBondContact O-CD 3.34Å; D619-K622 VanDerWaalsContact O-CG 3.28Å; D619-K622 WeakPolarHBondContact O-CG 3.3Å; D619-K622 PolarHBondContact O-N 3Å; D619-K622 IonicContact OD1-NZ 2.82Å; D619-K622 PolarHBondContact OD1-NZ 2.77Å
620	E	93.1	Very high	93	Very high	62 Å²	62	50 Å²	50	29%	0.29	26%	0.256	S	S	.	.	H	α-helix	trans	-63.7	-20.7	178.7	-65.7	176.4	164.8	0	0	112.6	R531 R534 T616	R531-E620 IonicContact CZ-OE1 3.79Å; R531-E620 IonicContact NE-OE1 3.36Å; R531-E620 PolarHBondContact NE-OE1 2.93Å; R531-E620 IonicContact NE-OE2 2.76Å; R531-E620 PolarHBondContact NE-OE2 3.04Å; R531-E620 IonicContact NH2-OE1 3.55Å; R531-E620 PolarHBondContact NH2-OE1 2.73Å; R531-E620 IonicContact NH2-OE2 2.65Å; R534-E620 WeakPolarHBondContact CD-O 3.37Å; R534-E620 IonicContact CZ-OE2 3.42Å; R534-E620 PolarHBondContact NE-O 3.1Å; R534-E620 VanDerWaalsContact NH1-CD 3.28Å; R534-E620 IonicContact NH1-OE2 3.57Å; R534-E620 PolarHBondContact NH1-OE2 3.1Å; R534-E620 IonicContact NH2-OE2 2.75Å; R534-E620 PolarHBondContact NH2-OE2 3.27Å; T616-E620 VanDerWaalsContact CG2-CD 3.43Å; T616-E620 HydrophobicContact CG2-CG 4.01Å; T616-E620 VanDerWaalsContact CG2-OE1 3.23Å; T616-E620 WeakPolarHBondContact CG2-OE1 3.33Å; T616-E620 WeakPolarHBondContact O-CB 3.47Å; T616-E620 VanDerWaalsContact O-CG 3.25Å; T616-E620 WeakPolarHBondContact O-CG 3.45Å; T616-E620 PolarHBondContact O-N 3.2Å
621	N	91.7	Very high	92.9	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.037	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	7.6	179.2	-68.4	-47.5	0	0	0	114.3	R534 R544 D617 R618 D619 E623 I624	R534-N621 PolarHBondContact NE-OD1 2.94Å; R534-N621 PolarHBondContact NH2-ND2 2.96Å; R534-N621 PolarHBondContact NH2-OD1 2.82Å; R544-N621 PolarHBondContact NE-O 3.43Å; R544-N621 PolarHBondContact NH2-O 2.88Å; D617-N621 VanDerWaalsContact O-CB 3.25Å; D617-N621 WeakPolarHBondContact O-CB 3.41Å; D617-N621 VanDerWaalsContact O-CG 3.3Å; D617-N621 PolarHBondContact O-N 3Å; D617-N621 PolarHBondContact O-ND2 2.95Å; D617-N621 PolarHBondContact OD1-ND2 2.72Å; R618-N621 PolarHBondContact O-N 3.27Å; D619-N621 PolarHBondContact O-N 3.03Å; D619-N621 VanDerWaalsContact O-N 3.11Å; N621-E623 PolarHBondContact O-N 3.1Å; N621-I624 PolarHBondContact O-N 3.42Å; N621-I624 VanDerWaalsContact O-N 3.14Å
622	K	92	Very high	92.7	Very high	64 Å²	64	49.9 Å²	49.9	28%	0.278	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.9	-172.3	66.4	-167.8	168.5	-159.1	0	113.7	R544 V546 F550 R618 D619	R544-K622 PolarHBondContact NE-O 2.68Å; V546-K622 HydrophobicContact CG2-CG 4.38Å; F550-K622 HydrophobicContact CD2-CB 4.16Å; F550-K622 HydrophobicContact CE1-CB 4.16Å; F550-K622 HydrophobicContact CE1-CD 3.91Å; F550-K622 HydrophobicContact CE2-CB 3.63Å; F550-K622 HydrophobicContact CZ-CB 3.65Å; F550-K622 HydrophobicContact CZ-CD 3.94Å; F550-K622 HydrophobicContact CZ-CG 4.45Å; R618-K622 PolarHBondContact O-N 3Å; D619-K622 WeakPolarHBondContact O-CD 3.34Å; D619-K622 VanDerWaalsContact O-CG 3.28Å; D619-K622 WeakPolarHBondContact O-CG 3.3Å; D619-K622 PolarHBondContact O-N 3Å; D619-K622 IonicContact OD1-NZ 2.82Å; D619-K622 PolarHBondContact OD1-NZ 2.77Å
623	E	92.6	Very high	92.6	Very high	107 Å²	107	48.5 Å²	48.5	50%	0.5	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	3.3	-179.8	-74.5	160.4	178.6	0	0	113.9	Q543 R544 V546 N621	Q543-E623 CarbonylContact C-O 3.52Å; Q543-E623 WeakPolarHBondContact CA-O 3.37Å; R544-E623 PolarHBondContact N-O 3.41Å; R544-E623 CarbonylContact O-C 3.58Å; R544-E623 WeakPolarHBondContact O-CA 3.42Å; V546-E623 HydrophobicContact CG2-CG 3.54Å; N621-E623 PolarHBondContact O-N 3.1Å
624	I	92.7	Very high	92.9	Very high	28 Å²	28	46.6 Å²	46.6	14%	0.144	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-111.7	132.5	-172.8	-53.8	-61.8	0	0	0	111.9	R534 A537 V538 R544 N621 L626	R534-I624 HydrophobicContact CG-CG1 4.3Å; R534-I624 HydrophobicContact CG-CG2 4.21Å; A537-I624 HydrophobicContact CB-CG2 3.4Å; A537-I624 VanDerWaalsContact CB-CG2 3.4Å; V538-I624 HydrophobicContact CG2-CD1 4.09Å; R544-I624 PolarHBondContact NE-O 2.93Å; N621-I624 PolarHBondContact O-N 3.42Å; N621-I624 VanDerWaalsContact O-N 3.14Å; I624-L626 HydrophobicContact CG2-CD2 3.88Å; I624-L626 HydrophobicContact CG2-CG 4.49Å; I624-L626 PolarHBondContact O-N 2.95Å
625	A	92.5	Very high	93.1	Very high	20 Å²	20	42.6 Å²	42.6	17%	0.165	22%	0.223	C	C	.	.			trans	-98.9	81.2	-179.6	0	0	0	0	0	112.5	H542 R544 S627	H542-A625 HydrophobicContact CB-CB 4.34Å; H542-A625 PolarHBondContact O-N 3.03Å; R544-A625 HydrophobicContact CB-CB 4.32Å; A625-S627 VanDerWaalsContact C-N 3.29Å; A625-S627 PolarHBondContact O-N 2.91Å
626	L	93.4	Very high	93.2	Very high	29 Å²	29	42.1 Å²	42.1	15%	0.152	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-23.2	-176.7	-65.2	-173.8	0	0	0	115.9	N533 R534 A537 I624 S629 K630	N533-L626 HydrophobicContact CB-CD2 4.37Å; N533-L626 PolarHBondContact ND2-O 3.32Å; N533-L626 VanDerWaalsContact ND2-O 3.09Å; R534-L626 HydrophobicContact CB-CD2 4.08Å; A537-L626 HydrophobicContact CB-CD2 4.09Å; I624-L626 HydrophobicContact CG2-CD2 3.88Å; I624-L626 HydrophobicContact CG2-CG 4.49Å; I624-L626 PolarHBondContact O-N 2.95Å; L626-S629 PolarHBondContact O-OG 2.83Å; L626-K630 WeakPolarHBondContact O-CB 3.42Å; L626-K630 PolarHBondContact O-N 3.44Å
627	S	91.8	Very high	93.3	Very high	76 Å²	76	39.7 Å²	39.7	53%	0.531	20%	0.204	S	C	.	.	H	α-helix	trans	-71.3	-32.9	-175.4	-59.8	0	0	0	0	112.5	A625 L631	A625-S627 VanDerWaalsContact C-N 3.29Å; A625-S627 PolarHBondContact O-N 2.91Å; S627-L631 WeakPolarHBondContact O-CB 3.28Å; S627-L631 WeakPolarHBondContact O-CG 3.42Å; S627-L631 PolarHBondContact O-N 3.4Å
628	T	90.3	Very high	93.6	Very high	57 Å²	57	38.3 Å²	38.3	35%	0.35	20%	0.196	S	C	.	.	H	α-helix	trans	-68.6	-45.8	-174.2	-58	0	0	0	0	111.6	N632 Y633	T628-N632 PolarHBondContact O-N 2.91Å; T628-N632 PolarHBondContact O-ND2 2.89Å; T628-N632 VanDerWaalsContact O-ND2 3.12Å; T628-Y633 HydrophobicContact CG2-CE2 4.07Å; T628-Y633 WeakPolarHBondContact O-CD2 3.36Å
629	S	92.2	Very high	93.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-54.4	172.8	50.4	0	0	0	0	110.5	N533 H542 L626 L631 N632 Y633 L634	N533-S629 PolarHBondContact OD1-OG 3.36Å; H542-S629 PolarHBondContact CE1-N 3.34Å; H542-S629 PolarHBondContact ND1-N 3.07Å; L626-S629 PolarHBondContact O-OG 2.83Å; S629-L631 VanDerWaalsContact C-N 3.32Å; S629-L631 PolarHBondContact O-N 3.42Å; S629-N632 PolarHBondContact O-N 3.06Å; S629-Y633 PolarHBondContact O-N 3.05Å; S629-L634 PolarHBondContact O-N 3.04Å
630	K	92.9	Very high	94	Very high	24 Å²	24	31.4 Å²	31.4	10%	0.104	17%	0.166	C	C	.	.	H	α-helix	trans	-56.7	-38.5	-176.2	-176.2	168.7	-178.3	158.3	0	114.6	L626 L634 I653 F654	L626-K630 WeakPolarHBondContact O-CB 3.42Å; L626-K630 PolarHBondContact O-N 3.44Å; K630-L634 HydrophobicContact CB-CD1 4.43Å; K630-I653 WeakPolarHBondContact CE-O 3.28Å; K630-I653 VanDerWaalsContact NZ-CG2 3.33Å; K630-I653 PolarHBondContact NZ-O 3.07Å; K630-F654 HydrophobicContact CD-CE1 4.28Å; K630-F654 HydrophobicContact CG-CE1 3.96Å
631	L	91.9	Very high	94.2	Very high	51 Å²	51	28.7 Å²	28.7	27%	0.267	15%	0.154	S	C	.	.	H	α-helix	trans	-83.3	-27.2	-177	-76.3	171.4	0	0	0	113.9	S627 S629 Q658 K661 F662	S627-L631 WeakPolarHBondContact O-CB 3.28Å; S627-L631 WeakPolarHBondContact O-CG 3.42Å; S627-L631 PolarHBondContact O-N 3.4Å; S629-L631 VanDerWaalsContact C-N 3.32Å; S629-L631 PolarHBondContact O-N 3.42Å; L631-Q658 HydrophobicContact CD2-CG 3.69Å; L631-K661 PolarHBondContact O-NZ 3.15Å; L631-F662 HydrophobicContact CD2-CE2 4.45Å
632	N	90.2	Very high	94.5	Very high	77 Å²	77	29 Å²	29	41%	0.412	16%	0.155	S	C	.	.	H	α-helix	trans	-129.2	-22.6	-162.2	-56.8	-67.3	0	0	0	115.4	K354 T628 S629	K354-N632 PolarHBondContact NZ-O 2.78Å; T628-N632 PolarHBondContact O-N 2.91Å; T628-N632 PolarHBondContact O-ND2 2.89Å; T628-N632 VanDerWaalsContact O-ND2 3.12Å; S629-N632 PolarHBondContact O-N 3.06Å
633	Y	94.8	Very high	94.8	Very high	42 Å²	42	26.3 Å²	26.3	17%	0.165	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-17	-171.2	-59.7	-88.7	0	0	0	113.6	R500 S505 H542 T628 S629	R500-Y633 HydrophobicContact CG-CD1 3.94Å; R500-Y633 HydrophobicContact CG-CE1 3.98Å; R500-Y633 PolarHBondContact NH1-OH 3.42Å; R500-Y633 VanDerWaalsContact NH1-OH 3.12Å; S505-Y633 PolarHBondContact OG-O 3.26Å; H542-Y633 AromaticContact CE1-CD2 3.65Å; H542-Y633 AromaticContact CE1-CE2 3.58Å; H542-Y633 AromaticContact NE2-CE2 3.7Å; T628-Y633 HydrophobicContact CG2-CE2 4.07Å; T628-Y633 WeakPolarHBondContact O-CD2 3.36Å; S629-Y633 PolarHBondContact O-N 3.05Å
634	L	97.6	Very high	94.9	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.141	C	C	.	.	S	Bend	trans	-98.6	127	179.6	-62.1	179.8	0	0	0	110.3	Y355 A504 L508 N533 V536 S629 K630 P636	Y355-L634 VanDerWaalsContact CE1-O 3.29Å; Y355-L634 WeakPolarHBondContact CE1-O 3.41Å; Y355-L634 PolarHBondContact OH-O 3.01Å; A504-L634 HydrophobicContact CB-CD2 4.1Å; A504-L634 WeakPolarHBondContact O-CD2 3.22Å; L508-L634 HydrophobicContact CB-CD2 3.71Å; L508-L634 HydrophobicContact CD1-CD1 4.26Å; L508-L634 HydrophobicContact CD2-CB 4.17Å; L508-L634 HydrophobicContact CD2-CD1 3.81Å; L508-L634 HydrophobicContact CD2-CD2 3.96Å; L508-L634 HydrophobicContact CD2-CG 4.18Å; L508-L634 HydrophobicContact CG-CD1 4.46Å; L508-L634 HydrophobicContact CG-CD2 4.34Å; N533-L634 WeakPolarHBondContact OD1-CD1 3.48Å; V536-L634 HydrophobicContact CB-CD2 4.46Å; V536-L634 HydrophobicContact CG1-CD2 3.82Å; V536-L634 HydrophobicContact CG1-CG 4.5Å; V536-L634 HydrophobicContact CG2-CD2 4.08Å; S629-L634 PolarHBondContact O-N 3.04Å; K630-L634 HydrophobicContact CB-CD1 4.43Å; L634-P636 WeakPolarHBondContact O-CD 3.32Å
635	D	97.6	Very high	95	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.			trans	-61.3	116.1	170.1	-172.5	-27.2	0	0	0	109.3	Y355 S505 R637 I638 Y673 F675	Y355-D635 VanDerWaalsContact CD1-CA 3.48Å; Y355-D635 HydrophobicContact CD1-CB 3.62Å; Y355-D635 HydrophobicContact CE1-CB 4.07Å; Y355-D635 HydrophobicContact CG-CB 3.92Å; S505-D635 PolarHBondContact OG-N 3.37Å; D635-R637 PolarHBondContact O-N 3.23Å; D635-R637 VanDerWaalsContact OD1-CB 3.3Å; D635-R637 WeakPolarHBondContact OD1-CB 3.15Å; D635-R637 WeakPolarHBondContact OD1-CG 3.44Å; D635-R637 IonicContact OD1-CZ 3.56Å; D635-R637 PolarHBondContact OD1-N 2.87Å; D635-R637 IonicContact OD1-NE 2.8Å; D635-R637 PolarHBondContact OD1-NE 3Å; D635-R637 VanDerWaalsContact OD1-NE 3.11Å; D635-R637 IonicContact OD1-NH2 3.27Å; D635-R637 IonicContact OD2-CZ 3.56Å; D635-R637 IonicContact OD2-NE 3.73Å; D635-R637 PolarHBondContact OD2-NE 2.93Å; D635-R637 IonicContact OD2-NH2 3.25Å; D635-R637 PolarHBondContact OD2-NH2 2.99Å; D635-I638 HydrophobicContact CB-CD1 3.96Å; D635-I638 HydrophobicContact CB-CG1 4.12Å; D635-I638 WeakPolarHBondContact O-CB 3.24Å; D635-I638 PolarHBondContact O-N 3.36Å; D635-Y673 PolarHBondContact OD2-OH 3.27Å; D635-F675 HydrophobicContact CB-CD2 3.93Å; D635-F675 HydrophobicContact CB-CE2 4.33Å
636	P	97.6	Very high	95.2	Very high	2 Å²	2	32 Å²	32	1%	0.013	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-26.1	-177	26.3	-36.3	0	0	0	112.7	Y355 L634 I638 S639 V640 F654 F662 W664 A665	Y355-P636 VanDerWaalsContact CE2-CD 3.47Å; Y355-P636 HydrophobicContact CE2-CG 4.44Å; L634-P636 WeakPolarHBondContact O-CD 3.32Å; P636-I638 VanDerWaalsContact C-N 3.26Å; P636-I638 PolarHBondContact O-N 2.98Å; P636-S639 WeakPolarHBondContact O-CB 3.16Å; P636-S639 PolarHBondContact O-N 2.66Å; P636-V640 WeakPolarHBondContact O-CG2 3.25Å; P636-V640 PolarHBondContact O-N 3.1Å; P636-F654 HydrophobicContact CB-CZ 4.33Å; P636-F662 HydrophobicContact CB-CB 3.94Å; P636-F662 HydrophobicContact CB-CD1 3.68Å; P636-F662 HydrophobicContact CB-CD2 3.96Å; P636-F662 HydrophobicContact CB-CE1 4.06Å; P636-F662 HydrophobicContact CB-CE2 4.32Å; P636-F662 HydrophobicContact CB-CG 3.61Å; P636-F662 HydrophobicContact CB-CZ 4.36Å; P636-F662 HydrophobicContact CG-CB 4.39Å; P636-F662 HydrophobicContact CG-CD1 3.59Å; P636-F662 HydrophobicContact CG-CE1 3.92Å; P636-F662 HydrophobicContact CG-CG 4.03Å; P636-W664 HydrophobicContact CG-CH2 3.86Å; P636-W664 HydrophobicContact CG-CZ2 3.57Å; P636-A665 HydrophobicContact CB-CB 3.86Å; P636-A665 HydrophobicContact CG-CB 3.59Å
637	R	97.1	Very high	95.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-32.5	178.9	-63.7	176.5	-74.1	-171	-5.1	112.3	E356 D635 S639 V640 A641 W664 A665 A669 Y673 D681	E356-R637 IonicContact OE1-CZ 3.49Å; E356-R637 IonicContact OE1-NH1 3.71Å; E356-R637 PolarHBondContact OE1-NH1 3.24Å; E356-R637 IonicContact OE1-NH2 3.5Å; E356-R637 PolarHBondContact OE1-NH2 2.65Å; D635-R637 PolarHBondContact O-N 3.23Å; D635-R637 VanDerWaalsContact OD1-CB 3.3Å; D635-R637 WeakPolarHBondContact OD1-CB 3.15Å; D635-R637 WeakPolarHBondContact OD1-CG 3.44Å; D635-R637 IonicContact OD1-CZ 3.56Å; D635-R637 PolarHBondContact OD1-N 2.87Å; D635-R637 IonicContact OD1-NE 2.8Å; D635-R637 PolarHBondContact OD1-NE 3Å; D635-R637 VanDerWaalsContact OD1-NE 3.11Å; D635-R637 IonicContact OD1-NH2 3.27Å; D635-R637 IonicContact OD2-CZ 3.56Å; D635-R637 IonicContact OD2-NE 3.73Å; D635-R637 PolarHBondContact OD2-NE 2.93Å; D635-R637 IonicContact OD2-NH2 3.25Å; D635-R637 PolarHBondContact OD2-NH2 2.99Å; R637-S639 VanDerWaalsContact C-N 3.3Å; R637-S639 PolarHBondContact O-N 3.13Å; R637-V640 PolarHBondContact O-N 2.91Å; R637-A641 VanDerWaalsContact O-CB 3.27Å; R637-A641 WeakPolarHBondContact O-CB 3.21Å; R637-A641 PolarHBondContact O-N 3.32Å; R637-W664 HydrophobicContact CG-CH2 4.43Å; R637-W664 HydrophobicContact CG-CZ3 4.04Å; R637-A665 HydrophobicContact CG-CB 3.71Å; R637-A669 HydrophobicContact CB-CB 3.85Å; R637-A669 HydrophobicContact CG-CB 3.9Å; R637-Y673 HydrophobicContact CB-CD1 3.58Å; R637-Y673 HydrophobicContact CB-CD2 4.3Å; R637-Y673 HydrophobicContact CB-CE1 3.32Å; R637-Y673 HydrophobicContact CB-CE2 4.09Å; R637-Y673 HydrophobicContact CB-CG 4.06Å; R637-Y673 VanDerWaalsContact CZ-OH 3.29Å; R637-Y673 PolarHBondContact NE-OH 3.21Å; R637-Y673 PolarHBondContact NH2-OH 3.44Å; R637-D681 IonicContact CZ-OD2 2.64Å; R637-D681 IonicContact NH1-OD1 2.78Å; R637-D681 IonicContact NH1-OD2 2.77Å; R637-D681 PolarHBondContact NH1-OD2 3.28Å
638	I	97.7	Very high	95.5	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.036	17%	0.169	C	C	.	.	H	α-helix	trans	-58.6	-45.5	173.3	-58.8	170.1	0	0	0	110.2	S505 L508 E509 L512 D635 P636 W642 Y673 F675	S505-I638 WeakPolarHBondContact O-CD1 3.41Å; L508-I638 HydrophobicContact CD2-CB 4.29Å; L508-I638 HydrophobicContact CD2-CG2 3.95Å; L508-I638 HydrophobicContact CG-CG2 4.28Å; E509-I638 HydrophobicContact CB-CD1 4.4Å; E509-I638 HydrophobicContact CB-CG2 4.22Å; L512-I638 HydrophobicContact CD1-CG2 3.99Å; D635-I638 HydrophobicContact CB-CD1 3.96Å; D635-I638 HydrophobicContact CB-CG1 4.12Å; D635-I638 WeakPolarHBondContact O-CB 3.24Å; D635-I638 PolarHBondContact O-N 3.36Å; P636-I638 VanDerWaalsContact C-N 3.26Å; P636-I638 PolarHBondContact O-N 2.98Å; I638-W642 WeakPolarHBondContact O-CB 3.22Å; I638-W642 PolarHBondContact O-N 3.37Å; I638-Y673 HydrophobicContact CG1-CE1 4Å; I638-F675 HydrophobicContact CD1-CB 3.63Å; I638-F675 HydrophobicContact CD1-CD2 4.32Å; I638-F675 HydrophobicContact CD1-CG 3.99Å; I638-F675 HydrophobicContact CG1-CB 3.73Å
639	S	97.9	Very high	95.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	17%	0.17	C	C	.	.	H	α-helix	trans	-71.1	-38	-178.7	-55.9	0	0	0	0	111.6	Y529 P636 R637 C643	Y529-S639 PolarHBondContact OH-OG 3.3Å; P636-S639 WeakPolarHBondContact O-CB 3.16Å; P636-S639 PolarHBondContact O-N 2.66Å; R637-S639 VanDerWaalsContact C-N 3.3Å; R637-S639 PolarHBondContact O-N 3.13Å; S639-C643 WeakPolarHBondContact O-CB 3.28Å; S639-C643 PolarHBondContact O-N 2.9Å
640	V	97.4	Very high	95.9	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	18%	0.178	C	C	.	.	H	α-helix	trans	-64.2	-48.4	175.6	173.6	0	0	0	0	110.8	P636 R637 W642 C643 K644 I650 F654 I666 A669	P636-V640 WeakPolarHBondContact O-CG2 3.25Å; P636-V640 PolarHBondContact O-N 3.1Å; R637-V640 PolarHBondContact O-N 2.91Å; V640-W642 PolarHBondContact O-N 2.93Å; V640-C643 WeakPolarHBondContact O-CB 3.47Å; V640-C643 PolarHBondContact O-N 3.45Å; V640-C643 VanDerWaalsContact O-N 3.16Å; V640-K644 HydrophobicContact CG1-CD 4.17Å; V640-K644 HydrophobicContact CG1-CG 4.46Å; V640-K644 WeakPolarHBondContact O-CG 3.36Å; V640-K644 PolarHBondContact O-N 3.06Å; V640-I650 HydrophobicContact CG2-CD1 4.15Å; V640-F654 HydrophobicContact CG2-CE2 4.44Å; V640-I666 HydrophobicContact CG2-CG1 3.88Å; V640-A669 HydrophobicContact CB-CB 4.29Å; V640-A669 HydrophobicContact CG1-CB 4Å
641	A	96.8	Very high	96.1	Very high	6 Å²	6	39.9 Å²	39.9	5%	0.05	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-46.8	178.3	0	0	0	0	0	111.5	R637 C643 K644 K645 T670 Y673	R637-A641 VanDerWaalsContact O-CB 3.27Å; R637-A641 WeakPolarHBondContact O-CB 3.21Å; R637-A641 PolarHBondContact O-N 3.32Å; A641-C643 PolarHBondContact O-N 3.07Å; A641-K644 PolarHBondContact O-N 3.09Å; A641-K645 VanDerWaalsContact O-CB 3.28Å; A641-K645 WeakPolarHBondContact O-CB 3.47Å; A641-K645 PolarHBondContact O-N 2.9Å; A641-T670 WeakPolarHBondContact CA-O 3.43Å; A641-T670 WeakPolarHBondContact CB-O 3.44Å; A641-Y673 HydrophobicContact CB-CD1 4.3Å
642	W	97.7	Very high	96.2	Very high	13 Å²	13	43.9 Å²	43.9	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-43.8	174.8	-178.3	91.3	0	0	0	112.4	L512 T516 K525 Y529 I638 V640 K645 Y646 V648 I653	L512-W642 HydrophobicContact CD1-CB 4.16Å; L512-W642 HydrophobicContact CD1-CG 4.04Å; L512-W642 HydrophobicContact CD2-CD2 4.41Å; L512-W642 HydrophobicContact CD2-CG 4.36Å; T516-W642 HydrophobicContact CG2-CZ2 4.01Å; T516-W642 PolarHBondContact OG1-NE1 3.33Å; K525-W642 HydrophobicContact CB-CH2 3.96Å; K525-W642 HydrophobicContact CB-CZ2 4.02Å; K525-W642 WeakPolarHBondContact O-CH2 3.42Å; Y529-W642 HydrophobicContact CD2-CD2 4.27Å; Y529-W642 AromaticContact CD2-CE3 3.92Å; Y529-W642 HydrophobicContact CD2-CE3 3.92Å; Y529-W642 HydrophobicContact CD2-CH2 4.41Å; Y529-W642 AromaticContact CD2-CZ3 3.99Å; Y529-W642 HydrophobicContact CD2-CZ3 3.99Å; Y529-W642 HydrophobicContact CG-CZ3 4.5Å; I638-W642 WeakPolarHBondContact O-CB 3.22Å; I638-W642 PolarHBondContact O-N 3.37Å; V640-W642 PolarHBondContact O-N 2.93Å; W642-K645 PolarHBondContact O-N 2.93Å; W642-Y646 AromaticContact CD1-CD2 3.54Å; W642-Y646 AromaticContact CD1-CE2 3.49Å; W642-Y646 VanDerWaalsContact CD1-CE2 3.49Å; W642-Y646 HydrophobicContact CD2-CD2 4.13Å; W642-Y646 AromaticContact CE2-CD2 3.82Å; W642-Y646 AromaticContact CG-CD2 3.96Å; W642-Y646 HydrophobicContact CG-CD2 3.96Å; W642-Y646 HydrophobicContact CG-CE2 4.3Å; W642-Y646 AromaticContact NE1-CD2 3.44Å; W642-Y646 AromaticContact NE1-CE2 3.52Å; W642-Y646 WeakPolarHBondContact O-CD2 3.31Å; W642-Y646 PolarHBondContact O-N 3.22Å; W642-V648 HydrophobicContact CH2-CB 4.37Å; W642-V648 HydrophobicContact CH2-CG1 4.4Å; W642-V648 HydrophobicContact CH2-CG2 3.84Å; W642-V648 HydrophobicContact CZ3-CB 3.85Å; W642-V648 HydrophobicContact CZ3-CG1 3.89Å; W642-V648 HydrophobicContact CZ3-CG2 3.81Å; W642-I653 HydrophobicContact CZ3-CD1 4.11Å; W642-I653 HydrophobicContact CZ3-CG1 4.37Å
643	C	97.4	Very high	96.4	Very high	7 Å²	7	40.6 Å²	40.6	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-46.6	175.3	-89	0	0	0	0	112.3	S639 V640 A641 N647 V648 I650 I653	S639-C643 WeakPolarHBondContact O-CB 3.28Å; S639-C643 PolarHBondContact O-N 2.9Å; V640-C643 WeakPolarHBondContact O-CB 3.47Å; V640-C643 PolarHBondContact O-N 3.45Å; V640-C643 VanDerWaalsContact O-N 3.16Å; A641-C643 PolarHBondContact O-N 3.07Å; C643-N647 WeakPolarHBondContact O-CA 3.42Å; C643-N647 PolarHBondContact O-N 3.21Å; C643-V648 VanDerWaalsContact CB-O 3.27Å; C643-V648 WeakPolarHBondContact CB-O 3.37Å; C643-V648 PolarHBondContact O-N 3.2Å; C643-V648 PolarHBondContact SG-O 2.73Å; C643-I650 HydrophobicContact CB-CD1 4.07Å; C643-I653 VanDerWaalsContact SG-CG1 3.5Å
644	K	95.6	Very high	96.5	Very high	102 Å²	102	38.6 Å²	38.6	44%	0.443	19%	0.186	S	C	.	.	H	α-helix	trans	-63.7	-46.8	177.6	-70	-177.1	179.5	-178.6	0	110.9	V640 A641 Y646 N647 I666 A669 C671	V640-K644 HydrophobicContact CG1-CD 4.17Å; V640-K644 HydrophobicContact CG1-CG 4.46Å; V640-K644 WeakPolarHBondContact O-CG 3.36Å; V640-K644 PolarHBondContact O-N 3.06Å; A641-K644 PolarHBondContact O-N 3.09Å; K644-Y646 PolarHBondContact O-N 2.97Å; K644-N647 PolarHBondContact O-N 2.97Å; K644-I666 PolarHBondContact NZ-O 2.86Å; K644-A669 WeakPolarHBondContact CD-O 3.49Å; K644-A669 WeakPolarHBondContact CE-O 3.18Å; K644-A669 PolarHBondContact NZ-O 2.89Å; K644-C671 HydrophobicContact CB-CB 3.87Å
645	K	95.9	Very high	96.4	Very high	132 Å²	132	42.4 Å²	42.4	57%	0.574	21%	0.207	S	C	*	.	H	α-helix	trans	-60.3	-40.7	-179.3	-176.4	170.9	-176.3	171.5	0	113.7	A641 W642 C671	A641-K645 VanDerWaalsContact O-CB 3.28Å; A641-K645 WeakPolarHBondContact O-CB 3.47Å; A641-K645 PolarHBondContact O-N 2.9Å; W642-K645 PolarHBondContact O-N 2.93Å; K645-C671 HydrophobicContact CB-CB 4.31Å
646	Y	96.2	Very high	96.3	Very high	42 Å²	42	50.1 Å²	50.1	17%	0.165	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	12.7	-176.1	-64	-69.5	0	0	0	114.2	T516 P518 K525 W642 K644 V648	T516-Y646 HydrophobicContact CG2-CD1 4.17Å; T516-Y646 HydrophobicContact CG2-CD2 3.89Å; T516-Y646 HydrophobicContact CG2-CE1 3.96Å; T516-Y646 HydrophobicContact CG2-CE2 3.68Å; T516-Y646 HydrophobicContact CG2-CG 4.12Å; P518-Y646 HydrophobicContact CB-CE1 4.12Å; P518-Y646 HydrophobicContact CG-CE1 4.04Å; K525-Y646 HydrophobicContact CD-CG 4.39Å; W642-Y646 AromaticContact CD1-CD2 3.54Å; W642-Y646 AromaticContact CD1-CE2 3.49Å; W642-Y646 VanDerWaalsContact CD1-CE2 3.49Å; W642-Y646 HydrophobicContact CD2-CD2 4.13Å; W642-Y646 AromaticContact CE2-CD2 3.82Å; W642-Y646 AromaticContact CG-CD2 3.96Å; W642-Y646 HydrophobicContact CG-CD2 3.96Å; W642-Y646 HydrophobicContact CG-CE2 4.3Å; W642-Y646 AromaticContact NE1-CD2 3.44Å; W642-Y646 AromaticContact NE1-CE2 3.52Å; W642-Y646 WeakPolarHBondContact O-CD2 3.31Å; W642-Y646 PolarHBondContact O-N 3.22Å; K644-Y646 PolarHBondContact O-N 2.97Å; Y646-V648 PolarHBondContact O-N 3.14Å
647	N	94.6	Very high	96	Very high	148 Å²	148	54.3 Å²	54.3	79%	0.791	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	42.8	-178.2	-163.2	21.7	0	0	0	113	C643 K644	C643-N647 WeakPolarHBondContact O-CA 3.42Å; C643-N647 PolarHBondContact O-N 3.21Å; K644-N647 PolarHBondContact O-N 2.97Å
648	V	95.5	Very high	96	Very high	9 Å²	9	55.3 Å²	55.3	6%	0.055	27%	0.266	C	S	.	.			trans	-95.8	119.6	175.9	178.7	0	0	0	0	108.4	K525 W642 C643 Y646 I650 K652	K525-V648 HydrophobicContact CB-CG2 4.37Å; K525-V648 HydrophobicContact CD-CG2 4.14Å; W642-V648 HydrophobicContact CH2-CB 4.37Å; W642-V648 HydrophobicContact CH2-CG1 4.4Å; W642-V648 HydrophobicContact CH2-CG2 3.84Å; W642-V648 HydrophobicContact CZ3-CB 3.85Å; W642-V648 HydrophobicContact CZ3-CG1 3.89Å; W642-V648 HydrophobicContact CZ3-CG2 3.81Å; C643-V648 VanDerWaalsContact CB-O 3.27Å; C643-V648 WeakPolarHBondContact CB-O 3.37Å; C643-V648 PolarHBondContact O-N 3.2Å; C643-V648 PolarHBondContact SG-O 2.73Å; Y646-V648 PolarHBondContact O-N 3.14Å; V648-I650 PolarHBondContact O-N 3.48Å; V648-K652 HydrophobicContact CG1-CB 4.38Å
649	P	95.8	Very high	95.9	Very high	56 Å²	56	58.3 Å²	58.3	36%	0.364	28%	0.277	S	S	.	.			trans	-58.3	129.1	-179.3	-22.9	31.7	0	0	0	111.6	E651 K652	P649-E651 WeakPolarHBondContact CB-OE1 3.45Å; P649-E651 VanDerWaalsContact CB-OE2 3.27Å; P649-E651 WeakPolarHBondContact CB-OE2 3.21Å; P649-E651 PolarHBondContact O-N 3.2Å; P649-E651 VanDerWaalsContact O-N 3.1Å; P649-K652 HydrophobicContact CB-CG 4.24Å; P649-K652 VanDerWaalsContact O-CB 3.29Å; P649-K652 WeakPolarHBondContact O-CB 3.5Å; P649-K652 PolarHBondContact O-N 3.49Å
650	I	96.4	Very high	95.7	Very high	34 Å²	34	60.8 Å²	60.8	17%	0.174	29%	0.288	C	S	.	.	H	α-helix	trans	-59.7	-28.4	-172	-168.2	61.1	0	0	0	112.1	V640 C643 V648 K652 I653 F654 I666	V640-I650 HydrophobicContact CG2-CD1 4.15Å; C643-I650 HydrophobicContact CB-CD1 4.07Å; V648-I650 PolarHBondContact O-N 3.48Å; I650-K652 PolarHBondContact O-N 2.72Å; I650-I653 CarbonylContact O-C 3.57Å; I650-I653 PolarHBondContact O-N 3.32Å; I650-F654 HydrophobicContact CD1-CD2 3.57Å; I650-F654 HydrophobicContact CD1-CE2 3.92Å; I650-F654 HydrophobicContact CG1-CD2 3.89Å; I650-F654 PolarHBondContact O-N 3.42Å; I650-I666 HydrophobicContact CG1-CD1 4.26Å; I650-I666 HydrophobicContact CG1-CG1 4.33Å
651	E	95.8	Very high	95.6	Very high	103 Å²	103	61.9 Å²	61.9	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-68	-14.9	176.6	72.5	-82.4	-169.2	0	0	114.6	P649 I653 F654 R659	P649-E651 WeakPolarHBondContact CB-OE1 3.45Å; P649-E651 VanDerWaalsContact CB-OE2 3.27Å; P649-E651 WeakPolarHBondContact CB-OE2 3.21Å; P649-E651 PolarHBondContact O-N 3.2Å; P649-E651 VanDerWaalsContact O-N 3.1Å; E651-I653 VanDerWaalsContact C-N 3.33Å; E651-F654 VanDerWaalsContact CA-O 3.32Å; E651-F654 WeakPolarHBondContact CA-O 3.45Å; E651-R659 VanDerWaalsContact CB-NH1 3.25Å
652	K	94.5	Very high	95.6	Very high	135 Å²	135	61.6 Å²	61.6	59%	0.587	29%	0.291	S	S	*	.	H	α-helix	trans	-75.7	-26.5	169.9	-60.3	-61.1	-177.1	-177	0	111.9	V648 P649 I650	V648-K652 HydrophobicContact CG1-CB 4.38Å; P649-K652 HydrophobicContact CB-CG 4.24Å; P649-K652 VanDerWaalsContact O-CB 3.29Å; P649-K652 WeakPolarHBondContact O-CB 3.5Å; P649-K652 PolarHBondContact O-N 3.49Å; I650-K652 PolarHBondContact O-N 2.72Å
653	I	95.7	Very high	95.5	Very high	8 Å²	8	63.6 Å²	63.6	4%	0.041	30%	0.3	C	S	.	.	H	α-helix	trans	-93.4	-61.4	175.2	-56.6	-52.9	0	0	0	109.1	L526 Y529 K630 W642 C643 I650 E651	L526-I653 HydrophobicContact CD1-CD1 3.5Å; Y529-I653 HydrophobicContact CD1-CD1 3.86Å; Y529-I653 HydrophobicContact CD2-CD1 3.89Å; Y529-I653 HydrophobicContact CD2-CG1 4.49Å; Y529-I653 HydrophobicContact CE1-CD1 4.19Å; Y529-I653 HydrophobicContact CE1-CG2 3.94Å; Y529-I653 HydrophobicContact CE2-CD1 4.16Å; Y529-I653 HydrophobicContact CE2-CG1 4.4Å; Y529-I653 HydrophobicContact CE2-CG2 3.91Å; Y529-I653 HydrophobicContact CG-CD1 3.74Å; Y529-I653 VanDerWaalsContact CZ-CG2 3.49Å; Y529-I653 WeakPolarHBondContact OH-CG2 3.44Å; K630-I653 WeakPolarHBondContact CE-O 3.28Å; K630-I653 VanDerWaalsContact NZ-CG2 3.33Å; K630-I653 PolarHBondContact NZ-O 3.07Å; W642-I653 HydrophobicContact CZ3-CD1 4.11Å; W642-I653 HydrophobicContact CZ3-CG1 4.37Å; C643-I653 VanDerWaalsContact SG-CG1 3.5Å; I650-I653 CarbonylContact O-C 3.57Å; I650-I653 PolarHBondContact O-N 3.32Å; E651-I653 VanDerWaalsContact C-N 3.33Å
654	F	96.2	Very high	95.3	Very high	1 Å²	1	63.4 Å²	63.4	0%	0.004	30%	0.298	C	S	.	.	S	Bend	trans	-100	124	-175.6	-63.9	-46.1	0	0	0	112.3	K630 P636 V640 I650 E651 Q658 R659 F662	K630-F654 HydrophobicContact CD-CE1 4.28Å; K630-F654 HydrophobicContact CG-CE1 3.96Å; P636-F654 HydrophobicContact CB-CZ 4.33Å; V640-F654 HydrophobicContact CG2-CE2 4.44Å; I650-F654 HydrophobicContact CD1-CD2 3.57Å; I650-F654 HydrophobicContact CD1-CE2 3.92Å; I650-F654 HydrophobicContact CG1-CD2 3.89Å; I650-F654 PolarHBondContact O-N 3.42Å; E651-F654 VanDerWaalsContact CA-O 3.32Å; E651-F654 WeakPolarHBondContact CA-O 3.45Å; F654-Q658 HydrophobicContact CB-CB 3.71Å; F654-Q658 HydrophobicContact CD1-CB 3.96Å; F654-Q658 HydrophobicContact CG-CB 4.13Å; F654-R659 HydrophobicContact CB-CG 3.63Å; F654-R659 PolarHBondContact O-NH1 2.65Å; F654-F662 HydrophobicContact CD1-CD2 4.16Å; F654-F662 HydrophobicContact CD1-CE2 4.33Å; F654-F662 HydrophobicContact CD2-CD2 4.43Å; F654-F662 AromaticContact CE1-CD2 3.94Å; F654-F662 HydrophobicContact CE1-CD2 3.94Å; F654-F662 AromaticContact CE1-CE2 3.91Å; F654-F662 HydrophobicContact CE1-CE2 3.91Å; F654-F662 HydrophobicContact CE2-CD2 4.23Å; F654-F662 HydrophobicContact CG-CD2 4.42Å; F654-F662 AromaticContact CZ-CD2 3.99Å; F654-F662 HydrophobicContact CZ-CD2 3.99Å; F654-F662 HydrophobicContact CZ-CE2 4.24Å
655	N	95.5	Very high	95.3	Very high	82 Å²	82	58.5 Å²	58.5	44%	0.439	28%	0.277	S	S	.	.			trans	-66.4	174	169.7	73	31	0	0	0	111.2	T657 Q658 R659	N655-T657 PolarHBondContact O-N 3.48Å; N655-T657 PolarHBondContact OD1-N 3Å; N655-T657 VanDerWaalsContact OD1-N 3.17Å; N655-Q658 WeakPolarHBondContact O-CB 3.29Å; N655-Q658 PolarHBondContact O-N 3.23Å; N655-Q658 VanDerWaalsContact O-N 3.11Å; N655-Q658 WeakPolarHBondContact OD1-CG 3.38Å; N655-Q658 PolarHBondContact OD1-N 3.32Å; N655-R659 WeakPolarHBondContact O-CG 3.43Å; N655-R659 PolarHBondContact O-N 2.98Å
656	R	95.4	Very high	95.3	Very high	161 Å²	161	53.5 Å²	53.5	61%	0.608	26%	0.256	S	S	*	.	H	α-helix	trans	-50.9	-52.6	-177	179.8	179.7	173.8	164.8	7.2	113.1	Q658 R659 E660	R656-Q658 VanDerWaalsContact C-N 3.3Å; R656-Q658 PolarHBondContact O-N 2.9Å; R656-R659 PolarHBondContact O-N 3.35Å; R656-E660 WeakPolarHBondContact CG-OE1 3.49Å; R656-E660 IonicContact CZ-OE1 2.75Å; R656-E660 IonicContact NE-OE1 3.38Å; R656-E660 PolarHBondContact NE-OE1 3.29Å; R656-E660 IonicContact NH2-OE1 3.95Å; R656-E660 WeakPolarHBondContact O-CG 3.45Å; R656-E660 PolarHBondContact O-N 2.92Å
657	T	92.2	Very high	95.1	Very high	90 Å²	90	54.3 Å²	54.3	55%	0.552	26%	0.264	S	S	*	.	H	α-helix	trans	-64.8	-33.7	-178.8	-51.7	0	0	0	0	112.6	N655 K661	N655-T657 PolarHBondContact O-N 3.48Å; N655-T657 PolarHBondContact OD1-N 3Å; N655-T657 VanDerWaalsContact OD1-N 3.17Å; T657-K661 PolarHBondContact O-N 3.2Å
658	Q	95.1	Very high	94.9	Very high	21 Å²	21	47.9 Å²	47.9	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-68.8	-39.1	174.9	-74	167.7	-13.2	0	0	111.9	L631 F654 N655 R656 K661 F662	L631-Q658 HydrophobicContact CD2-CG 3.69Å; F654-Q658 HydrophobicContact CB-CB 3.71Å; F654-Q658 HydrophobicContact CD1-CB 3.96Å; F654-Q658 HydrophobicContact CG-CB 4.13Å; N655-Q658 WeakPolarHBondContact O-CB 3.29Å; N655-Q658 PolarHBondContact O-N 3.23Å; N655-Q658 VanDerWaalsContact O-N 3.11Å; N655-Q658 WeakPolarHBondContact OD1-CG 3.38Å; N655-Q658 PolarHBondContact OD1-N 3.32Å; R656-Q658 VanDerWaalsContact C-N 3.3Å; R656-Q658 PolarHBondContact O-N 2.9Å; Q658-K661 PolarHBondContact O-N 2.91Å; Q658-F662 WeakPolarHBondContact O-CB 3.32Å; Q658-F662 VanDerWaalsContact O-CD2 3.24Å; Q658-F662 WeakPolarHBondContact O-CD2 3.4Å; Q658-F662 WeakPolarHBondContact O-CG 3.28Å; Q658-F662 PolarHBondContact O-N 2.89Å
659	R	96.4	Very high	94.7	Very high	71 Å²	71	47.5 Å²	47.5	27%	0.268	23%	0.227	S	C	.	.	H	α-helix	trans	-65.9	-43.2	174.2	-65.1	-168.2	-52	-91	9.3	111.6	E651 F654 N655 R656 K661 F662 Q663 I666	E651-R659 VanDerWaalsContact CB-NH1 3.25Å; F654-R659 HydrophobicContact CB-CG 3.63Å; F654-R659 PolarHBondContact O-NH1 2.65Å; N655-R659 WeakPolarHBondContact O-CG 3.43Å; N655-R659 PolarHBondContact O-N 2.98Å; R656-R659 PolarHBondContact O-N 3.35Å; R659-K661 VanDerWaalsContact C-N 3.29Å; R659-K661 PolarHBondContact O-N 3.43Å; R659-F662 CarbonylContact O-C 3.57Å; R659-F662 PolarHBondContact O-N 2.78Å; R659-F662 VanDerWaalsContact O-N 3.17Å; R659-Q663 WeakPolarHBondContact O-CA 3.22Å; R659-Q663 PolarHBondContact O-N 3.08Å; R659-I666 HydrophobicContact CB-CD1 3.88Å; R659-I666 HydrophobicContact CG-CD1 3.97Å
660	E	94.4	Very high	94.6	Very high	52 Å²	52	46.7 Å²	46.7	24%	0.243	22%	0.221	C	C	.	.	H	α-helix	trans	-57.6	-41.2	173.7	-70.6	168.5	-170.3	0	0	111.6	R260 S343 R656	R260-E660 IonicContact NH1-OE2 3.28Å; S343-E660 WeakPolarHBondContact CB-O 3.28Å; R656-E660 WeakPolarHBondContact CG-OE1 3.49Å; R656-E660 IonicContact CZ-OE1 2.75Å; R656-E660 IonicContact NE-OE1 3.38Å; R656-E660 PolarHBondContact NE-OE1 3.29Å; R656-E660 IonicContact NH2-OE1 3.95Å; R656-E660 WeakPolarHBondContact O-CG 3.45Å; R656-E660 PolarHBondContact O-N 2.92Å
661	K	94.9	Very high	94.4	Very high	27 Å²	27	47.6 Å²	47.6	12%	0.117	23%	0.23	C	C	.	.	H	α-helix	trans	-65.4	-44.4	175	-179.3	-174.9	173.9	-167.9	0	112.5	P342 D351 L631 T657 Q658 R659	P342-K661 HydrophobicContact CB-CB 4.39Å; P342-K661 HydrophobicContact CB-CD 3.97Å; P342-K661 HydrophobicContact CB-CG 3.86Å; D351-K661 IonicContact OD1-NZ 3.22Å; D351-K661 WeakPolarHBondContact OD2-CE 3.25Å; D351-K661 IonicContact OD2-NZ 3.69Å; D351-K661 PolarHBondContact OD2-NZ 3.13Å; L631-K661 PolarHBondContact O-NZ 3.15Å; T657-K661 PolarHBondContact O-N 3.2Å; Q658-K661 PolarHBondContact O-N 2.91Å; R659-K661 VanDerWaalsContact C-N 3.29Å; R659-K661 PolarHBondContact O-N 3.43Å
662	F	96.2	Very high	94.2	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	21.8	-171.3	-59.9	-45.7	0	0	0	113.2	L631 P636 F654 Q658 R659 W664 A665 I666	L631-F662 HydrophobicContact CD2-CE2 4.45Å; P636-F662 HydrophobicContact CB-CB 3.94Å; P636-F662 HydrophobicContact CB-CD1 3.68Å; P636-F662 HydrophobicContact CB-CD2 3.96Å; P636-F662 HydrophobicContact CB-CE1 4.06Å; P636-F662 HydrophobicContact CB-CE2 4.32Å; P636-F662 HydrophobicContact CB-CG 3.61Å; P636-F662 HydrophobicContact CB-CZ 4.36Å; P636-F662 HydrophobicContact CG-CB 4.39Å; P636-F662 HydrophobicContact CG-CD1 3.59Å; P636-F662 HydrophobicContact CG-CE1 3.92Å; P636-F662 HydrophobicContact CG-CG 4.03Å; F654-F662 HydrophobicContact CD1-CD2 4.16Å; F654-F662 HydrophobicContact CD1-CE2 4.33Å; F654-F662 HydrophobicContact CD2-CD2 4.43Å; F654-F662 AromaticContact CE1-CD2 3.94Å; F654-F662 HydrophobicContact CE1-CD2 3.94Å; F654-F662 AromaticContact CE1-CE2 3.91Å; F654-F662 HydrophobicContact CE1-CE2 3.91Å; F654-F662 HydrophobicContact CE2-CD2 4.23Å; F654-F662 HydrophobicContact CG-CD2 4.42Å; F654-F662 AromaticContact CZ-CD2 3.99Å; F654-F662 HydrophobicContact CZ-CD2 3.99Å; F654-F662 HydrophobicContact CZ-CE2 4.24Å; Q658-F662 WeakPolarHBondContact O-CB 3.32Å; Q658-F662 VanDerWaalsContact O-CD2 3.24Å; Q658-F662 WeakPolarHBondContact O-CD2 3.4Å; Q658-F662 WeakPolarHBondContact O-CG 3.28Å; Q658-F662 PolarHBondContact O-N 2.89Å; R659-F662 CarbonylContact O-C 3.57Å; R659-F662 PolarHBondContact O-N 2.78Å; R659-F662 VanDerWaalsContact O-N 3.17Å; F662-W664 VanDerWaalsContact C-N 3.26Å; F662-W664 PolarHBondContact O-N 3.04Å; F662-A665 WeakPolarHBondContact O-CB 3.41Å; F662-A665 PolarHBondContact O-N 3.28Å; F662-I666 WeakPolarHBondContact O-CG1 3.29Å; F662-I666 PolarHBondContact O-N 3.38Å
663	Q	95.1	Very high	94.2	Very high	54 Å²	54	42 Å²	42	25%	0.252	21%	0.209	S	C	.	.	H	α-helix	trans	-55.9	-44.5	-178.4	-169.2	59.7	49.5	0	0	111	V113 W117 R659 A665 I666 D667	V113-Q663 HydrophobicContact CG1-CG 4.14Å; W117-Q663 HydrophobicContact CH2-CB 4.12Å; W117-Q663 HydrophobicContact CH2-CG 3.75Å; W117-Q663 HydrophobicContact CZ2-CG 4.4Å; R659-Q663 WeakPolarHBondContact O-CA 3.22Å; R659-Q663 PolarHBondContact O-N 3.08Å; Q663-A665 VanDerWaalsContact C-N 3.25Å; Q663-A665 PolarHBondContact O-N 3.46Å; Q663-I666 PolarHBondContact O-N 3.44Å; Q663-D667 PolarHBondContact NE2-OD1 3.25Å; Q663-D667 PolarHBondContact NE2-OD2 2.97Å; Q663-D667 PolarHBondContact O-N 3.39Å
664	W	94.6	Very high	94.2	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.011	23%	0.229	C	C	.	.	H	α-helix	trans	-50.6	-42.3	173.9	67.7	-92.2	0	0	0	113.3	W116 W117 W352 Y355 P636 R637 F662 M668	W116-W664 HydrophobicContact CH2-CB 3.72Å; W116-W664 HydrophobicContact CH2-CD2 4.36Å; W116-W664 AromaticContact CH2-CG 3.76Å; W116-W664 HydrophobicContact CH2-CG 3.76Å; W116-W664 HydrophobicContact CZ2-CB 3.61Å; W116-W664 AromaticContact CZ2-CD1 3.73Å; W116-W664 AromaticContact CZ2-CG 3.77Å; W116-W664 HydrophobicContact CZ2-CG 3.77Å; W117-W664 HydrophobicContact CB-CB 4.33Å; W117-W664 HydrophobicContact CD2-CB 3.67Å; W117-W664 HydrophobicContact CE3-CB 3.34Å; W117-W664 HydrophobicContact CG-CB 4.11Å; W117-W664 HydrophobicContact CZ3-CB 3.87Å; W352-W664 HydrophobicContact CB-CD2 4.47Å; W352-W664 HydrophobicContact CB-CE3 4.29Å; W352-W664 HydrophobicContact CB-CH2 4.05Å; W352-W664 HydrophobicContact CB-CZ2 4.18Å; W352-W664 HydrophobicContact CB-CZ3 4.1Å; W352-W664 AromaticContact CD1-CE3 3.92Å; W352-W664 AromaticContact CD1-CH2 3.78Å; W352-W664 AromaticContact CD1-CZ3 3.32Å; W352-W664 HydrophobicContact CG-CE3 4.26Å; W352-W664 HydrophobicContact CG-CH2 4.31Å; W352-W664 AromaticContact CG-CZ3 3.98Å; W352-W664 HydrophobicContact CG-CZ3 3.98Å; Y355-W664 HydrophobicContact CD2-CH2 4.16Å; Y355-W664 HydrophobicContact CD2-CZ2 4.22Å; Y355-W664 HydrophobicContact CE2-CZ2 4.44Å; P636-W664 HydrophobicContact CG-CH2 3.86Å; P636-W664 HydrophobicContact CG-CZ2 3.57Å; R637-W664 HydrophobicContact CG-CH2 4.43Å; R637-W664 HydrophobicContact CG-CZ3 4.04Å; F662-W664 VanDerWaalsContact C-N 3.26Å; F662-W664 PolarHBondContact O-N 3.04Å; W664-M668 HydrophobicContact CE3-SD 3.51Å; W664-M668 VanDerWaalsContact CE3-SD 3.51Å; W664-M668 HydrophobicContact CZ3-SD 3.79Å; W664-M668 WeakPolarHBondContact O-CB 3.44Å; W664-M668 WeakPolarHBondContact O-CG 3.43Å; W664-M668 PolarHBondContact O-N 3.48Å; W664-M668 VanDerWaalsContact O-N 3.12Å
665	A	95.5	Very high	94.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-77.8	-32.7	-179.9	0	0	0	0	0	112.9	P636 R637 F662 Q663 D667 A669	P636-A665 HydrophobicContact CB-CB 3.86Å; P636-A665 HydrophobicContact CG-CB 3.59Å; R637-A665 HydrophobicContact CG-CB 3.71Å; F662-A665 WeakPolarHBondContact O-CB 3.41Å; F662-A665 PolarHBondContact O-N 3.28Å; Q663-A665 VanDerWaalsContact C-N 3.25Å; Q663-A665 PolarHBondContact O-N 3.46Å; A665-D667 VanDerWaalsContact C-N 3.34Å; A665-A669 VanDerWaalsContact O-CB 3.22Å; A665-A669 WeakPolarHBondContact O-CB 3.5Å; A665-A669 PolarHBondContact O-N 3.42Å
666	I	95.4	Very high	93.9	Very high	26 Å²	26	44.9 Å²	44.9	13%	0.133	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-42.6	177.3	-69.3	169.2	0	0	0	110.2	V640 K644 I650 R659 F662 Q663	V640-I666 HydrophobicContact CG2-CG1 3.88Å; K644-I666 PolarHBondContact NZ-O 2.86Å; I650-I666 HydrophobicContact CG1-CD1 4.26Å; I650-I666 HydrophobicContact CG1-CG1 4.33Å; R659-I666 HydrophobicContact CB-CD1 3.88Å; R659-I666 HydrophobicContact CG-CD1 3.97Å; F662-I666 WeakPolarHBondContact O-CG1 3.29Å; F662-I666 PolarHBondContact O-N 3.38Å; Q663-I666 PolarHBondContact O-N 3.44Å
667	D	92.6	Very high	93.7	Very high	59 Å²	59	40.5 Å²	40.5	32%	0.316	21%	0.208	S	C	.	.	H	α-helix	trans	-76.9	-46.6	-175.8	-64.2	-18	0	0	0	111	W117 Q663 A665	W117-D667 HydrophobicContact CZ2-CB 4.15Å; W117-D667 WeakPolarHBondContact CZ2-OD2 3.46Å; Q663-D667 PolarHBondContact NE2-OD1 3.25Å; Q663-D667 PolarHBondContact NE2-OD2 2.97Å; Q663-D667 PolarHBondContact O-N 3.39Å; A665-D667 VanDerWaalsContact C-N 3.34Å
668	M	90	Very high	93.1	Very high	13 Å²	13	37.8 Å²	37.8	6%	0.064	19%	0.191	C	C	.	.	H	α-helix	trans	-78.5	-37.3	-174.9	79.5	-172.2	-63.9	0	0	114.8	W664 T684 N685	W664-M668 HydrophobicContact CE3-SD 3.51Å; W664-M668 VanDerWaalsContact CE3-SD 3.51Å; W664-M668 HydrophobicContact CZ3-SD 3.79Å; W664-M668 WeakPolarHBondContact O-CB 3.44Å; W664-M668 WeakPolarHBondContact O-CG 3.43Å; W664-M668 PolarHBondContact O-N 3.48Å; W664-M668 VanDerWaalsContact O-N 3.12Å; M668-T684 WeakPolarHBondContact O-CB 3.43Å; M668-N685 VanDerWaalsContact CE-OD1 3.22Å; M668-N685 WeakPolarHBondContact CE-OD1 3.48Å
669	A	92.2	Very high	92.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	21%	0.205	C	C	.	.			trans	-77.7	131	-167	0	0	0	0	0	113.1	R637 V640 K644 A665	R637-A669 HydrophobicContact CB-CB 3.85Å; R637-A669 HydrophobicContact CG-CB 3.9Å; V640-A669 HydrophobicContact CB-CB 4.29Å; V640-A669 HydrophobicContact CG1-CB 4Å; K644-A669 WeakPolarHBondContact CD-O 3.49Å; K644-A669 WeakPolarHBondContact CE-O 3.18Å; K644-A669 PolarHBondContact NZ-O 2.89Å; A665-A669 VanDerWaalsContact O-CB 3.22Å; A665-A669 WeakPolarHBondContact O-CB 3.5Å; A665-A669 PolarHBondContact O-N 3.42Å
670	T	91.8	Very high	91.4	Very high	39 Å²	39	37.5 Å²	37.5	24%	0.239	20%	0.196	C	C	.	.			trans	-84.5	174.4	173.4	60.8	0	0	0	0	111.3	A641 D672 S683 T684	A641-T670 WeakPolarHBondContact CA-O 3.43Å; A641-T670 WeakPolarHBondContact CB-O 3.44Å; T670-D672 PolarHBondContact O-N 3.38Å; T670-S683 PolarHBondContact OG1-OG 3.08Å; T670-T684 HydrophobicContact CG2-CG2 4.01Å; T670-T684 WeakPolarHBondContact OG1-CG2 3.42Å
671	C	93.2	Very high	90.1	Very high	53 Å²	53	35.4 Å²	35.4	36%	0.358	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.3	172.9	55.7	0	0	0	0	113.6	K644 K645	K644-C671 HydrophobicContact CB-CB 3.87Å; K645-C671 HydrophobicContact CB-CB 4.31Å
672	D	92.1	Very high	88.2	Confident	113 Å²	113	43.1 Å²	43.1	60%	0.604	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.7	-175.9	-57.4	-44.6	0	0	0	113.3	T670 K674	T670-D672 PolarHBondContact O-N 3.38Å; D672-K674 PolarHBondContact O-N 2.94Å
673	Y	94.7	Very high	85.9	Confident	7 Å²	7	45.5 Å²	45.5	3%	0.027	23%	0.232	C	C	.	.			trans	-56.8	131	175.9	173.3	-91.5	0	0	0	111.2	R359 D635 R637 I638 A641 F675 D681 T684	R359-Y673 WeakPolarHBondContact CD-OH 3.32Å; D635-Y673 PolarHBondContact OD2-OH 3.27Å; R637-Y673 HydrophobicContact CB-CD1 3.58Å; R637-Y673 HydrophobicContact CB-CD2 4.3Å; R637-Y673 HydrophobicContact CB-CE1 3.32Å; R637-Y673 HydrophobicContact CB-CE2 4.09Å; R637-Y673 HydrophobicContact CB-CG 4.06Å; R637-Y673 VanDerWaalsContact CZ-OH 3.29Å; R637-Y673 PolarHBondContact NE-OH 3.21Å; R637-Y673 PolarHBondContact NH2-OH 3.44Å; I638-Y673 HydrophobicContact CG1-CE1 4Å; A641-Y673 HydrophobicContact CB-CD1 4.3Å; Y673-F675 HydrophobicContact CE1-CB 4.3Å; Y673-D681 WeakPolarHBondContact CD2-OD1 3.32Å; Y673-D681 WeakPolarHBondContact CE2-OD1 3.2Å; Y673-T684 HydrophobicContact CD2-CG2 4.39Å
674	K	94.3	Very high	83.9	Confident	108 Å²	108	43.3 Å²	43.3	47%	0.47	22%	0.222	S	C	.	.			trans	-131.5	126.6	172.6	-69.2	-178.6	179.9	-174.9	0	108.9	D672 L676 D677 S680	D672-K674 PolarHBondContact O-N 2.94Å; K674-L676 VanDerWaalsContact C-N 3.27Å; K674-L676 PolarHBondContact O-N 3.33Å; K674-D677 HydrophobicContact CB-CB 3.79Å; K674-D677 HydrophobicContact CD-CB 4.47Å; K674-D677 CarbonylContact O-C 3.44Å; K674-D677 PolarHBondContact O-N 3.41Å; K674-D677 VanDerWaalsContact O-N 3.13Å; K674-S680 PolarHBondContact N-OG 3.23Å; K674-S680 PolarHBondContact O-OG 3.12Å
675	F	94.8	Very high	81.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-38.9	177.3	173.6	-95	0	0	0	111.7	A358 R359 Y502 E509 D635 I638 Y673 D677	A358-F675 HydrophobicContact CB-CE2 4.23Å; A358-F675 HydrophobicContact CB-CZ 3.91Å; R359-F675 HydrophobicContact CB-CE2 4.47Å; R359-F675 HydrophobicContact CG-CD2 3.43Å; R359-F675 VanDerWaalsContact CG-CD2 3.43Å; R359-F675 HydrophobicContact CG-CE2 3.31Å; R359-F675 HydrophobicContact CG-CG 4.18Å; R359-F675 HydrophobicContact CG-CZ 3.97Å; R359-F675 PolarHBondContact NE-O 2.78Å; Y502-F675 AromaticContact CD2-CE1 3.85Å; Y502-F675 HydrophobicContact CD2-CE1 3.85Å; Y502-F675 HydrophobicContact CD2-CZ 4.18Å; Y502-F675 HydrophobicContact CE2-CE1 4.27Å; E509-F675 WeakPolarHBondContact OE1-CB 3.41Å; E509-F675 PolarHBondContact OE1-N 3Å; E509-F675 PolarHBondContact OE2-N 3.3Å; D635-F675 HydrophobicContact CB-CD2 3.93Å; D635-F675 HydrophobicContact CB-CE2 4.33Å; I638-F675 HydrophobicContact CD1-CB 3.63Å; I638-F675 HydrophobicContact CD1-CD2 4.32Å; I638-F675 HydrophobicContact CD1-CG 3.99Å; I638-F675 HydrophobicContact CG1-CB 3.73Å; Y673-F675 HydrophobicContact CE1-CB 4.3Å; F675-D677 VanDerWaalsContact C-N 3.28Å
676	L	92.4	Very high	79.4	Confident	45 Å²	45	51.9 Å²	51.9	24%	0.236	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.4	178.5	-57.5	173.1	0	0	0	113.2	H362 Y502 R506 E509 K674	H362-L676 PolarHBondContact CD2-O 3.17Å; H362-L676 PolarHBondContact NE2-O 3.48Å; Y502-L676 HydrophobicContact CE2-CD2 4.33Å; R506-L676 HydrophobicContact CB-CD2 3.99Å; R506-L676 HydrophobicContact CG-CD1 4.07Å; R506-L676 HydrophobicContact CG-CD2 3.72Å; R506-L676 HydrophobicContact CG-CG 4.43Å; E509-L676 WeakPolarHBondContact OE2-CB 3.2Å; E509-L676 WeakPolarHBondContact OE2-CD1 3.43Å; E509-L676 WeakPolarHBondContact OE2-CG 3.45Å; E509-L676 PolarHBondContact OE2-N 3.1Å; E509-L676 VanDerWaalsContact OE2-N 3.09Å; K674-L676 VanDerWaalsContact C-N 3.27Å; K674-L676 PolarHBondContact O-N 3.33Å
677	D	90.4	Very high	77	Confident	69 Å²	69	54.9 Å²	54.9	37%	0.369	28%	0.279	S	S	.	.			trans	-103.1	100.6	169.7	-174.1	-7.4	0	0	0	109.8	R359 K674 F675 D679 S680	R359-D677 PolarHBondContact NH2-O 3.04Å; K674-D677 HydrophobicContact CB-CB 3.79Å; K674-D677 HydrophobicContact CD-CB 4.47Å; K674-D677 CarbonylContact O-C 3.44Å; K674-D677 PolarHBondContact O-N 3.41Å; K674-D677 VanDerWaalsContact O-N 3.13Å; F675-D677 VanDerWaalsContact C-N 3.28Å; D677-D679 PolarHBondContact O-N 3.32Å; D677-D679 PolarHBondContact OD1-N 2.95Å; D677-S680 WeakPolarHBondContact O-CB 3.45Å; D677-S680 PolarHBondContact O-N 3.44Å; D677-S680 PolarHBondContact O-OG 3.24Å; D677-S680 PolarHBondContact OD1-N 2.91Å
678	V	79.3	Confident	74.7	Confident	33 Å²	33	56.7 Å²	56.7	20%	0.2	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.6	178.5	-72.2	0	0	0	0	114	R359 K363	R359-V678 HydrophobicContact CB-CG1 4.24Å; R359-V678 PolarHBondContact NH2-O 3.38Å; K363-V678 HydrophobicContact CD-CG1 4.27Å; K363-V678 HydrophobicContact CD-CG2 4.27Å; K363-V678 HydrophobicContact CG-CG1 3.89Å; K363-V678 HydrophobicContact CG-CG2 4.24Å
679	D	78.8	Confident	72.2	Confident	73 Å²	73	58.5 Å²	58.5	39%	0.39	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-11.2	178.9	-68.8	-58.6	0	0	0	112.8	D677 D681 R682	D677-D679 PolarHBondContact O-N 3.32Å; D677-D679 PolarHBondContact OD1-N 2.95Å; D679-D681 PolarHBondContact O-N 3.33Å; D679-R682 WeakPolarHBondContact O-CB 3.33Å; D679-R682 PolarHBondContact O-N 3.35Å; D679-R682 IonicContact OD1-CZ 2.71Å; D679-R682 VanDerWaalsContact OD1-CZ 3.27Å; D679-R682 IonicContact OD1-NE 3.81Å; D679-R682 PolarHBondContact OD1-NE 2.76Å; D679-R682 IonicContact OD1-NH2 3.78Å; D679-R682 PolarHBondContact OD1-NH2 2.94Å
680	S	77.8	Confident	69.8	Low	12 Å²	12	64.8 Å²	64.8	8%	0.084	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-57	-22.9	175.4	68.8	0	0	0	0	113	K674 D677 R682 S683	K674-S680 PolarHBondContact N-OG 3.23Å; K674-S680 PolarHBondContact O-OG 3.12Å; D677-S680 WeakPolarHBondContact O-CB 3.45Å; D677-S680 PolarHBondContact O-N 3.44Å; D677-S680 PolarHBondContact O-OG 3.24Å; D677-S680 PolarHBondContact OD1-N 2.91Å; S680-R682 VanDerWaalsContact C-N 3.31Å; S680-R682 PolarHBondContact O-N 2.91Å; S680-S683 PolarHBondContact O-N 2.96Å; S680-S683 PolarHBondContact O-OG 3.09Å
681	D	66.5	Low	67.4	Low	8 Å²	8	71.5 Å²	71.5	4%	0.043	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-73.6	-16.2	176.4	-98.6	0.8	0	0	0	114.5	R359 R637 Y673 D679 S683 T684 N685	R359-D681 IonicContact CZ-OD2 3.98Å; R359-D681 IonicContact NH1-OD2 3.45Å; R359-D681 PolarHBondContact NH1-OD2 3.07Å; R359-D681 IonicContact NH2-OD2 3.09Å; R637-D681 IonicContact CZ-OD2 2.64Å; R637-D681 IonicContact NH1-OD1 2.78Å; R637-D681 IonicContact NH1-OD2 2.77Å; R637-D681 PolarHBondContact NH1-OD2 3.28Å; Y673-D681 WeakPolarHBondContact CD2-OD1 3.32Å; Y673-D681 WeakPolarHBondContact CE2-OD1 3.2Å; D679-D681 PolarHBondContact O-N 3.33Å; D681-S683 PolarHBondContact O-N 3.01Å; D681-S683 VanDerWaalsContact O-N 3.16Å; D681-T684 WeakPolarHBondContact CA-OG1 3.43Å; D681-T684 VanDerWaalsContact CG-OG1 3.28Å; D681-T684 PolarHBondContact O-N 3.46Å; D681-T684 PolarHBondContact O-OG1 2.86Å; D681-T684 PolarHBondContact OD1-OG1 3.33Å; D681-N685 WeakPolarHBondContact O-CB 3.47Å; D681-N685 PolarHBondContact O-N 2.9Å
682	R	54.6	Low	64.9	Low	189 Å²	189	72.8 Å²	72.8	71%	0.713	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-63.1	-22.6	174.6	-65	-175.6	-166.3	-162.3	5.6	112	D679 S680	D679-R682 WeakPolarHBondContact O-CB 3.33Å; D679-R682 PolarHBondContact O-N 3.35Å; D679-R682 IonicContact OD1-CZ 2.71Å; D679-R682 VanDerWaalsContact OD1-CZ 3.27Å; D679-R682 IonicContact OD1-NE 3.81Å; D679-R682 PolarHBondContact OD1-NE 2.76Å; D679-R682 IonicContact OD1-NH2 3.78Å; D679-R682 PolarHBondContact OD1-NH2 2.94Å; S680-R682 VanDerWaalsContact C-N 3.31Å; S680-R682 PolarHBondContact O-N 2.91Å
683	S	48.9	Very low	62.4	Low	51 Å²	51	73.8 Å²	73.8	36%	0.357	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-82.3	-22.9	170.9	72.6	0	0	0	0	113.6	T670 S680 D681	T670-S683 PolarHBondContact OG1-OG 3.08Å; S680-S683 PolarHBondContact O-N 2.96Å; S680-S683 PolarHBondContact O-OG 3.09Å; D681-S683 PolarHBondContact O-N 3.01Å; D681-S683 VanDerWaalsContact O-N 3.16Å
684	T	51.6	Low	59.9	Low	7 Å²	7	80.5 Å²	80.5	4%	0.043	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-27.7	-174.5	67.1	0	0	0	0	112.8	M668 T670 Y673 D681	M668-T684 WeakPolarHBondContact O-CB 3.43Å; T670-T684 HydrophobicContact CG2-CG2 4.01Å; T670-T684 WeakPolarHBondContact OG1-CG2 3.42Å; Y673-T684 HydrophobicContact CD2-CG2 4.39Å; D681-T684 WeakPolarHBondContact CA-OG1 3.43Å; D681-T684 VanDerWaalsContact CG-OG1 3.28Å; D681-T684 PolarHBondContact O-N 3.46Å; D681-T684 PolarHBondContact O-OG1 2.86Å; D681-T684 PolarHBondContact OD1-OG1 3.33Å
685	N	51.1	Low	57.2	Low	66 Å²	66	83.8 Å²	83.8	35%	0.353	43%	0.427	S	S	.	.			trans	-89.6	9	177.5	-83.5	-18.5	0	0	0	114	M668 D681 L687 K688	M668-N685 VanDerWaalsContact CE-OD1 3.22Å; M668-N685 WeakPolarHBondContact CE-OD1 3.48Å; D681-N685 WeakPolarHBondContact O-CB 3.47Å; D681-N685 PolarHBondContact O-N 2.9Å; N685-L687 PolarHBondContact O-N 3.01Å; N685-K688 PolarHBondContact O-N 2.89Å
686	K	45.3	Very low	54.5	Low	118 Å²	118	91.3 Å²	91.3	51%	0.513	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-54.4	-23.2	179.3	-77.6	-163	170.6	-162.4	0	114	K688 A689	K686-K688 PolarHBondContact O-N 3.05Å; K686-A689 PolarHBondContact O-N 3Å
687	L	45.5	Very low	51.9	Low	89 Å²	89	98 Å²	98	47%	0.466	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-60.1	-11	173.2	-68.5	165.6	0	0	0	114.6	E118 N685	E118-L687 HydrophobicContact CG-CB 4.4Å; E118-L687 HydrophobicContact CG-CD1 4.36Å; N685-L687 PolarHBondContact O-N 3.01Å
688	K	43.6	Very low	49.5	Very low	96 Å²	96	102 Å²	102	42%	0.417	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-100.5	-9	173.5	-72.4	-168.5	170.9	-171.3	0	115.1	W117 E118 E119 N685 K686	W117-K688 WeakPolarHBondContact O-CE 3.26Å; E118-K688 WeakPolarHBondContact O-CE 3.12Å; E119-K688 WeakPolarHBondContact O-CE 3.44Å; E119-K688 PolarHBondContact O-NZ 3.29Å; N685-K688 PolarHBondContact O-N 2.89Å; K686-K688 PolarHBondContact O-N 3.05Å
689	A	38.3	Very low	47.6	Very low	52 Å²	52	107 Å²	107	43%	0.43	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-16.2	-174.1	0	0	0	0	0	113.3	K686	K686-A689 PolarHBondContact O-N 3Å
690	E	40.2	Very low	45.8	Very low	133 Å²	133	111.3 Å²	111.3	62%	0.621	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	5.5	-173.7	-68	178.4	-176	0	0	114
691	E	42.7	Very low	44	Very low	180 Å²	180	119.7 Å²	119.7	84%	0.841	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.7	-0.5	174.5	-76.1	-176.5	170.9	0	0	113.9
692	S	39.9	Very low	42.9	Very low	80 Å²	80	131 Å²	131	56%	0.559	67%	0.666	S	S	*	*	S	Bend	trans	-100.1	-8.2	179.2	60	0	0	0	0	114.8
693	D	40.6	Very low	42.4	Very low	133 Å²	133	128.1 Å²	128.1	71%	0.711	66%	0.664	S	S	*	*	S	Bend	trans	-108	7.8	-166.5	-68.3	6.1	0	0	0	113.2
694	D	40.7	Very low	42	Very low	149 Å²	149	132.1 Å²	132.1	80%	0.797	68%	0.68	S	S	*	*	S	Bend	trans	-123.8	11.7	-174.2	-76.9	-33.3	0	0	0	115.6
695	E	38.4	Very low	41.5	Very low	176 Å²	176	139.1 Å²	139.1	82%	0.822	72%	0.715	S	S	*	*	S	Bend	trans	-121.7	4.1	-174.6	-79.3	-166.8	170.6	0	0	118.6
696	D	38.1	Very low	40.9	Very low	159 Å²	159	143.4 Å²	143.4	85%	0.85	74%	0.737	S	S	*	*	S	Bend	trans	-121.1	36.7	-176.8	-74.5	-30.6	0	0	0	115.3
697	M	37.7	Very low	40.6	Very low	185 Å²	185	144.9 Å²	144.9	91%	0.911	75%	0.751	S	S	*	*			trans	-134.8	61.6	174.3	-71.9	-72.5	-66.6	0	0	111.8
698	I	40.8	Very low	40.3	Very low	152 Å²	152	148.7 Å²	148.7	78%	0.779	77%	0.77	S	S	*	*			trans	-137.7	115.1	164.1	-62.1	-179.6	0	0	0	108
699	D	39	Very low	40.1	Very low	138 Å²	138	152.4 Å²	152.4	74%	0.738	80%	0.795	S	S	*	*			trans	34.3	119.2	144.3	-54.1	-28.2	0	0	0	118.6
700	D	41.3	Very low	40.2	Very low	165 Å²	165	160.2 Å²	160.2	88%	0.882	82%	0.823	S	S	*	*				-168.2	127.5	102.8	-89.3	-30	0	0	0	110.8
701	E	40.1	Very low	40.2	Very low	188 Å²	188	162.4 Å²	162.4	88%	0.879	84%	0.84	S	S	*	*			trans	-68.8	128.7	165.5	-66.2	177	143.5	0	0	110
702	D	43.5	Very low	40	Very low	244 Å²	244	160.8 Å²	160.8	100%	1.305	84%	0.84	S	S	*	*			trans	-170.2	0	136.5	-99.8	-22.1	0	0	0	110.3

Retrieved 702 of 702 residues in 1092.2 ms (Link to these results)

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