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Transcriptional activator Myb

Transcriptional activator; DNA-binding protein that specifically recognize the sequence 5'-YAAC[GT]G-3'. Plays an important role in the control of proliferation and differentiation of hematopoietic progenitor cells.

AlphaFold DB , UniProt , Accession A0A096NDT6, Species PAPAN (Papio anubis, Olive baboon), Gene MYB, Length 761 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	35.3	Very low	248 Å²	248	174.5 Å²	174.5	100%	1.222	85%	0.853	S	S	*	*				0	146	0	-64	171.7	-179.1	0	0	107.6
2	A	31.3	Very low	34.9	Very low	103 Å²	103	168.2 Å²	168.2	85%	0.851	84%	0.84	S	S	*	*			cis	-149.9	-172.1	-13.7	0	0	0	0	0	108.4
3	R	40.6	Very low	34.8	Very low	230 Å²	230	164.8 Å²	164.8	87%	0.868	83%	0.826	S	S	*	*			trans	-106.3	151.7	-173.3	-81.7	-179.7	165.7	-178.9	-3.6	113.8
4	R	34.8	Very low	34.8	Very low	234 Å²	234	165.6 Å²	165.6	88%	0.883	83%	0.826	S	S	*	*			trans	71.9	166.8	155.7	-78.6	-179	177.3	-162.9	0.7	116.9
5	P	42.9	Very low	34.9	Very low	125 Å²	125	164.9 Å²	164.9	81%	0.812	83%	0.826	S	S	*	*			cis	-123.2	-163.5	7.5	35.8	-16	0	0	0	116.2
6	R	45.7	Very low	35.3	Very low	230 Å²	230	165.1 Å²	165.1	87%	0.868	83%	0.831	S	S	*	*			trans	-97.2	152.3	-177.5	-60.6	167.9	167.3	167.6	-9	112.4
7	H	31	Very low	35.7	Very low	184 Å²	184	166.9 Å²	166.9	85%	0.852	84%	0.835	S	S	*	*			trans	-145.2	143.5	133.6	-74.1	-81.7	0	0	0	106.5
8	S	34.3	Very low	35.8	Very low	107 Å²	107	166.3 Å²	166.3	75%	0.748	84%	0.836	S	S	*	*			cis	83.5	89.9	29.3	-163.2	0	0	0	0	113.8
9	I	34.5	Very low	35.8	Very low	173 Å²	173	168.6 Å²	168.6	89%	0.887	84%	0.84	S	S	*	*			trans	-131.2	151.7	161.6	-68.4	-175.6	0	0	0	107.7
10	Y	30.2	Very low	36	Very low	196 Å²	196	168 Å²	168	77%	0.769	84%	0.835	S	S	*	*			trans	-124	179.1	-170.3	171.1	-89.2	0	0	0	109.6
11	S	30.1	Very low	35.9	Very low	89 Å²	89	166.4 Å²	166.4	62%	0.622	83%	0.826	S	S	*	*			trans	75.4	143.8	-178.6	-96.5	0	0	0	0	115.3
12	S	30.1	Very low	35.8	Very low	99 Å²	99	159.8 Å²	159.8	69%	0.692	80%	0.804	S	S	*	*			cis	-154.3	146.7	4.1	-135.9	0	0	0	0	113.3
13	D	34.2	Very low	36.1	Very low	125 Å²	125	161.4 Å²	161.4	67%	0.668	80%	0.798	S	S	*	*			trans	-59.8	160.8	142	-36.7	-98.9	0	0	0	108.6
14	E	34.2	Very low	36	Very low	176 Å²	176	158.6 Å²	158.6	82%	0.822	79%	0.794	S	S	*	*			cis	-121	-174.4	20.7	-69.7	145.4	141.1	0	0	109.3
15	D	36.9	Very low	36.4	Very low	154 Å²	154	155.1 Å²	155.1	82%	0.824	79%	0.793	S	S	*	*			cis	-145.1	145.3	34.8	-54.4	-57.3	0	0	0	112.8
16	D	41	Very low	36.2	Very low	169 Å²	169	159.6 Å²	159.6	90%	0.904	80%	0.795	S	S	*	*			trans	-123.1	125.6	161	-86.4	-55.4	0	0	0	107.3
17	E	42.5	Very low	35.8	Very low	195 Å²	195	155.3 Å²	155.3	91%	0.911	79%	0.79	S	S	*	*			trans	-136.9	137.1	163.1	-83.8	-157.2	145.5	0	0	112.2
18	D	38.2	Very low	36.6	Very low	157 Å²	157	149.7 Å²	149.7	84%	0.84	78%	0.782	S	S	*	*			trans	-60.5	155	-166.4	-57.8	-60.2	0	0	0	117.1
19	F	34.9	Very low	36.9	Very low	210 Å²	210	152.7 Å²	152.7	92%	0.921	79%	0.788	S	S	*	*			trans	-137	100.2	146	-158.7	-86.3	0	0	0	110.5
20	E	40.7	Very low	37.3	Very low	156 Å²	156	152.4 Å²	152.4	73%	0.729	79%	0.788	S	S	*	*			trans	-90.8	170.9	-177.9	-152.5	-173.3	-155.9	0	0	112.1
21	M	32.1	Very low	37.8	Very low	134 Å²	134	149 Å²	149	66%	0.66	79%	0.789	S	S	*	*			trans	67.5	98.5	161.3	-60.7	-59.1	-71.3	0	0	118.9
22	C	31.7	Very low	38.2	Very low	110 Å²	110	154.3 Å²	154.3	74%	0.743	80%	0.801	S	S	*	*				-151	93.6	125.9	-164.8	0	0	0	0	110.6
23	D	38.2	Very low	38.9	Very low	136 Å²	136	155.6 Å²	155.6	73%	0.727	81%	0.81	S	S	*	*			trans	-73.6	135.5	163.4	-89.1	-43.6	0	0	0	109.8
24	H	38.7	Very low	39.1	Very low	171 Å²	171	152.4 Å²	152.4	79%	0.792	81%	0.807	S	S	*	*			trans	-141	108.4	163.2	-97	-48	0	0	0	110	Y26	H24-Y26 PolarHBondContact O-N 3.44Å
25	D	43.2	Very low	40	Very low	162 Å²	162	153.7 Å²	153.7	87%	0.866	81%	0.81	S	S	*	*			trans	-59.8	130.1	174.4	-61.1	-79.1	0	0	0	111.7
26	Y	38	Very low	40.6	Very low	219 Å²	219	155 Å²	155	86%	0.859	80%	0.803	S	S	*	*			trans	-143.6	125.3	148.5	-155.4	-98.6	0	0	0	113.2	H24	H24-Y26 PolarHBondContact O-N 3.44Å
27	D	38.1	Very low	41	Very low	140 Å²	140	155 Å²	155	75%	0.749	80%	0.798	S	S	*	*			trans	-6.2	142.7	177.6	-123.3	-41.8	0	0	0	121.9
28	G	47.2	Very low	41.7	Very low	66 Å²	66	147.1 Å²	147.1	68%	0.68	76%	0.761	S	S	*	*			trans	-86.1	123	-169.9	0	0	0	0	0	114.9
29	L	39.9	Very low	42.4	Very low	169 Å²	169	142.4 Å²	142.4	89%	0.885	75%	0.75	S	S	*	*			trans	-116.6	111.4	162.1	-70.6	178.4	0	0	0	111	P31	L29-P31 WeakPolarHBondContact O-CD 3.43Å
30	L	43.5	Very low	43.6	Very low	167 Å²	167	141.5 Å²	141.5	87%	0.874	75%	0.746	S	S	*	*			trans	-51.8	124.2	176.9	-81.3	163.8	0	0	0	111.8	K32	L30-K32 PolarHBondContact O-N 2.92Å
31	P	40.5	Very low	45.4	Very low	124 Å²	124	137.9 Å²	137.9	81%	0.805	74%	0.735	S	S	*	*			trans	-62.4	103.6	168.7	-22.1	34	0	0	0	110	L29	L29-P31 WeakPolarHBondContact O-CD 3.43Å
32	K	37.7	Very low	48	Very low	202 Å²	202	141.8 Å²	141.8	88%	0.878	74%	0.742	S	S	*	*			trans	-49.9	143.6	165.5	-75	177.4	177	172.7	0	108.6	L30 G34	L30-K32 PolarHBondContact O-N 2.92Å; K32-G34 PolarHBondContact O-N 2.87Å
33	S	45.5	Very low	50.8	Low	125 Å²	125	138.3 Å²	138.3	87%	0.874	71%	0.713	S	S	*	*			trans	-67.1	68	-172.4	43.7	0	0	0	0	113.6	K35	S33-K35 PolarHBondContact O-N 3.46Å
34	G	38.5	Very low	53.4	Low	58 Å²	58	134.4 Å²	134.4	60%	0.598	69%	0.694	S	S	*	*			trans	-57.5	132.9	174.4	0	0	0	0	0	110.3	K32 R36	K32-G34 PolarHBondContact O-N 2.87Å; G34-R36 PolarHBondContact O-N 2.67Å
35	K	53.2	Low	56	Low	204 Å²	204	134.2 Å²	134.2	89%	0.887	69%	0.687	S	S	*	*			trans	-57.3	104.3	179.1	-65.5	179.7	-179.7	179.4	0	108.7	S33 H37	S33-K35 PolarHBondContact O-N 3.46Å; K35-H37 PolarHBondContact O-N 3.32Å
36	R	50.2	Low	58.3	Low	182 Å²	182	132.4 Å²	132.4	69%	0.687	67%	0.673	S	S	*	*			trans	-51.1	128.7	-170.2	-61.1	-174	-74.1	159	-8.2	110.5	G34 L38 P71	G34-R36 PolarHBondContact O-N 2.67Å; R36-L38 HydrophobicContact CB-CD1 3.6Å; R36-L38 HydrophobicContact CG-CD1 4.33Å; R36-L38 PolarHBondContact O-N 3.11Å; R36-P71 PolarHBondContact NH1-O 3.32Å
37	H	48.3	Very low	60.9	Low	169 Å²	169	123.3 Å²	123.3	78%	0.782	64%	0.638	S	S	*	*			trans	-76.3	42.8	-179.9	-106	70.9	0	0	0	113.1	K35 G39	K35-H37 PolarHBondContact O-N 3.32Å; H37-G39 PolarHBondContact O-N 3.3Å
38	L	57.1	Low	63.5	Low	28 Å²	28	118 Å²	118	15%	0.147	61%	0.61	C	S	.	*	T	Hydrogen-bonded Turn	trans	-64.9	5.6	-168.4	-125.6	79.9	0	0	0	116.3	R36 P71 T74 Q77	R36-L38 HydrophobicContact CB-CD1 3.6Å; R36-L38 HydrophobicContact CG-CD1 4.33Å; R36-L38 PolarHBondContact O-N 3.11Å; L38-P71 WeakPolarHBondContact CD1-O 3.45Å; L38-T74 HydrophobicContact CD2-CG2 3.99Å; L38-Q77 PolarHBondContact O-NE2 2.82Å
39	G	53.8	Low	65.8	Low	59 Å²	59	119.4 Å²	119.4	61%	0.608	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	-18	-160.5	0	0	0	0	0	117	H37	H37-G39 PolarHBondContact O-N 3.3Å
40	K	58.9	Low	68.3	Low	190 Å²	190	116.2 Å²	116.2	83%	0.826	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	-17	-164.8	-70	-175.1	177.8	179.8	0	116.4	R42	K40-R42 PolarHBondContact O-N 3.47Å
41	T	78.5	Confident	70.6	Confident	81 Å²	81	108.3 Å²	108.3	50%	0.497	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-59.1	129.4	-178.9	-43.2	0	0	0	0	110.7	R73	T41-R73 PolarHBondContact O-NH1 2.76Å; T41-R73 PolarHBondContact O-NH2 3.35Å
42	R	87.2	Confident	73.2	Confident	216 Å²	216	106.6 Å²	106.6	82%	0.815	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-55.5	140.8	171.3	-166.3	-178.2	-165.2	-82.1	10.1	109.1	K40 T44 R73	K40-R42 PolarHBondContact O-N 3.47Å; R42-T44 PolarHBondContact O-N 3.03Å; R42-R73 PolarHBondContact O-NH2 3.22Å
43	W	91.7	Very high	75.8	Confident	37 Å²	37	103 Å²	103	14%	0.14	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-63.3	124.8	172	-78.7	83.2	0	0	0	109.4	E47 L51 R73 Q77 R81	W43-E47 WeakPolarHBondContact CA-OE2 3.37Å; W43-E47 HydrophobicContact CE3-CB 3.81Å; W43-E47 HydrophobicContact CZ3-CB 4.09Å; W43-L51 HydrophobicContact CH2-CD2 3.67Å; W43-L51 HydrophobicContact CZ3-CB 4.4Å; W43-L51 HydrophobicContact CZ3-CD2 3.65Å; W43-R73 HydrophobicContact CH2-CB 4.28Å; W43-R73 HydrophobicContact CH2-CG 3.73Å; W43-R73 HydrophobicContact CZ2-CG 4.06Å; W43-R73 HydrophobicContact CZ3-CG 4.19Å; W43-Q77 HydrophobicContact CZ2-CB 4.2Å; W43-R81 VanDerWaalsContact CB-CZ 3.41Å; W43-R81 HydrophobicContact CD2-CB 4.3Å; W43-R81 HydrophobicContact CD2-CG 3.67Å; W43-R81 HydrophobicContact CE3-CG 3.8Å; W43-R81 HydrophobicContact CG-CG 4.29Å; W43-R81 HydrophobicContact CH2-CB 3.92Å; W43-R81 HydrophobicContact CH2-CG 4.02Å; W43-R81 HydrophobicContact CZ2-CB 3.57Å; W43-R81 HydrophobicContact CZ2-CG 3.86Å; W43-R81 HydrophobicContact CZ3-CB 4.39Å; W43-R81 HydrophobicContact CZ3-CG 3.98Å
44	T	92.3	Very high	78	Confident	54 Å²	54	97.6 Å²	97.6	33%	0.331	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-83.9	168.4	173.7	88.9	0	0	0	0	110.6	R42 E46 E47 D48	R42-T44 PolarHBondContact O-N 3.03Å; T44-E46 VanDerWaalsContact C-N 3.32Å; T44-E46 WeakPolarHBondContact CB-OE2 3.45Å; T44-E46 PolarHBondContact OG1-N 3.4Å; T44-E46 PolarHBondContact OG1-OE2 3.25Å; T44-E47 HydrophobicContact CG2-CG 4.43Å; T44-E47 PolarHBondContact N-OE2 2.85Å; T44-E47 PolarHBondContact OG1-N 2.99Å; T44-E47 VanDerWaalsContact OG1-N 3.16Å; T44-D48 PolarHBondContact O-N 2.93Å; T44-D48 VanDerWaalsContact O-N 3.16Å
45	R	92.2	Very high	80.6	Confident	167 Å²	167	95.2 Å²	95.2	63%	0.63	44%	0.436	S	S	*	.	H	α-helix	trans	-70.6	-34.8	178.3	173.9	-178.5	172.1	-148.5	-18.2	110.9	D48 E49	R45-D48 WeakPolarHBondContact O-CB 3.37Å; R45-D48 PolarHBondContact O-N 2.9Å; R45-E49 HydrophobicContact CG-CG 4.42Å; R45-E49 IonicContact CZ-OE1 3.7Å; R45-E49 IonicContact NE-OE1 3.53Å; R45-E49 PolarHBondContact NE-OE1 3.22Å; R45-E49 IonicContact NH2-OE1 3.53Å; R45-E49 PolarHBondContact NH2-OE1 3.37Å; R45-E49 IonicContact NH2-OE2 2.7Å; R45-E49 WeakPolarHBondContact O-CB 3.48Å; R45-E49 WeakPolarHBondContact O-CG 3.17Å; R45-E49 PolarHBondContact O-N 2.92Å
46	E	91.8	Very high	82.3	Confident	124 Å²	124	92 Å²	92	58%	0.579	42%	0.424	S	S	*	.	H	α-helix	trans	-71.6	-38.3	-178.2	-50.1	66.3	-134.7	0	0	110	T44 K50	T44-E46 VanDerWaalsContact C-N 3.32Å; T44-E46 WeakPolarHBondContact CB-OE2 3.45Å; T44-E46 PolarHBondContact OG1-N 3.4Å; T44-E46 PolarHBondContact OG1-OE2 3.25Å; E46-K50 WeakPolarHBondContact O-CB 3.28Å; E46-K50 PolarHBondContact O-N 3.2Å
47	E	92.7	Very high	84.2	Confident	27 Å²	27	89.4 Å²	89.4	13%	0.126	42%	0.42	C	S	.	.	H	α-helix	trans	-63.7	-41.8	168.9	-70.5	-177.7	121.3	0	0	112.4	W43 T44 L51 L70 R73	W43-E47 WeakPolarHBondContact CA-OE2 3.37Å; W43-E47 HydrophobicContact CE3-CB 3.81Å; W43-E47 HydrophobicContact CZ3-CB 4.09Å; T44-E47 HydrophobicContact CG2-CG 4.43Å; T44-E47 PolarHBondContact N-OE2 2.85Å; T44-E47 PolarHBondContact OG1-N 2.99Å; T44-E47 VanDerWaalsContact OG1-N 3.16Å; E47-L51 WeakPolarHBondContact O-CB 3.45Å; E47-L51 PolarHBondContact O-N 2.86Å; E47-L70 HydrophobicContact CB-CD2 4.48Å; E47-L70 HydrophobicContact CG-CD2 4.5Å; E47-R73 VanDerWaalsContact CD-NH2 3.32Å; E47-R73 IonicContact OE1-CZ 3.33Å; E47-R73 IonicContact OE1-NE 2.74Å; E47-R73 PolarHBondContact OE1-NE 2.94Å; E47-R73 IonicContact OE1-NH2 3.13Å; E47-R73 PolarHBondContact OE1-NH2 3.32Å; E47-R73 VanDerWaalsContact OE1-NH2 3.13Å; E47-R73 IonicContact OE2-CZ 3.51Å; E47-R73 IonicContact OE2-NE 3.53Å; E47-R73 IonicContact OE2-NH2 2.7Å; E47-R73 PolarHBondContact OE2-NH2 2.99Å
48	D	93.8	Very high	86	Confident	28 Å²	28	84.4 Å²	84.4	15%	0.15	40%	0.399	C	S	.	.	H	α-helix	trans	-65.4	-43.9	177.1	-83.4	-14.7	0	0	0	112.1	T44 R45 L51 K52 R81 L86	T44-D48 PolarHBondContact O-N 2.93Å; T44-D48 VanDerWaalsContact O-N 3.16Å; R45-D48 WeakPolarHBondContact O-CB 3.37Å; R45-D48 PolarHBondContact O-N 2.9Å; D48-L51 PolarHBondContact O-N 2.74Å; D48-K52 WeakPolarHBondContact O-CB 3.49Å; D48-K52 PolarHBondContact O-N 3.27Å; D48-R81 VanDerWaalsContact CG-NH2 3.3Å; D48-R81 IonicContact OD1-CZ 2.67Å; D48-R81 VanDerWaalsContact OD1-CZ 3.31Å; D48-R81 IonicContact OD1-NE 3.49Å; D48-R81 PolarHBondContact OD1-NE 3Å; D48-R81 IonicContact OD1-NH2 2.61Å; D48-R81 PolarHBondContact OD1-NH2 3.04Å; D48-R81 VanDerWaalsContact OD1-NH2 3.11Å; D48-R81 IonicContact OD2-CZ 2.61Å; D48-R81 IonicContact OD2-NE 3.17Å; D48-R81 IonicContact OD2-NH2 3.46Å; D48-R81 PolarHBondContact OD2-NH2 3.06Å; D48-L86 HydrophobicContact CB-CD1 4.02Å; D48-L86 HydrophobicContact CB-CD2 3.9Å
49	E	93.9	Very high	87.4	Confident	97 Å²	97	84.6 Å²	84.6	45%	0.453	41%	0.407	S	S	.	.	H	α-helix	trans	-69.3	-39.2	178.3	-74.2	178.3	-177.7	0	0	111.4	R45 K52 K53	R45-E49 HydrophobicContact CG-CG 4.42Å; R45-E49 IonicContact CZ-OE1 3.7Å; R45-E49 IonicContact NE-OE1 3.53Å; R45-E49 PolarHBondContact NE-OE1 3.22Å; R45-E49 IonicContact NH2-OE1 3.53Å; R45-E49 PolarHBondContact NH2-OE1 3.37Å; R45-E49 IonicContact NH2-OE2 2.7Å; R45-E49 WeakPolarHBondContact O-CB 3.48Å; R45-E49 WeakPolarHBondContact O-CG 3.17Å; R45-E49 PolarHBondContact O-N 2.92Å; E49-K52 PolarHBondContact O-N 3.23Å; E49-K53 WeakPolarHBondContact O-CB 3.48Å; E49-K53 PolarHBondContact O-N 3.12Å
50	K	92.5	Very high	89	Confident	102 Å²	102	85 Å²	85	44%	0.443	40%	0.398	S	S	.	.	H	α-helix	trans	-65	-44.9	172.4	-168	177.6	-168.3	-175.6	0	111.5	E46 K52 K53 L54 Y69 L70	E46-K50 WeakPolarHBondContact O-CB 3.28Å; E46-K50 PolarHBondContact O-N 3.2Å; K50-K52 VanDerWaalsContact C-N 3.34Å; K50-K52 PolarHBondContact O-N 3.37Å; K50-K53 PolarHBondContact O-N 2.95Å; K50-L54 HydrophobicContact CG-CD1 4.02Å; K50-L54 WeakPolarHBondContact O-CB 3.35Å; K50-L54 WeakPolarHBondContact O-CD1 3.34Å; K50-L54 VanDerWaalsContact O-CG 3.23Å; K50-L54 WeakPolarHBondContact O-CG 3.47Å; K50-L54 PolarHBondContact O-N 3.36Å; K50-Y69 VanDerWaalsContact CE-O 3.28Å; K50-Y69 WeakPolarHBondContact CE-O 3.36Å; K50-Y69 PolarHBondContact NZ-O 2.85Å; K50-L70 HydrophobicContact CB-CD2 4.38Å; K50-L70 HydrophobicContact CD-CD2 3.99Å; K50-L70 HydrophobicContact CG-CD2 4.36Å
51	L	93.1	Very high	90.2	Very high	0 Å²	0	81.9 Å²	81.9	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-60.9	-41.9	175.1	177	56.4	0	0	0	111.5	W43 E47 D48 L54 V55 W63 I66 L70 C78 R81 L86	W43-L51 HydrophobicContact CH2-CD2 3.67Å; W43-L51 HydrophobicContact CZ3-CB 4.4Å; W43-L51 HydrophobicContact CZ3-CD2 3.65Å; E47-L51 WeakPolarHBondContact O-CB 3.45Å; E47-L51 PolarHBondContact O-N 2.86Å; D48-L51 PolarHBondContact O-N 2.74Å; L51-L54 PolarHBondContact O-N 3.37Å; L51-V55 HydrophobicContact CD1-CG2 4.11Å; L51-V55 WeakPolarHBondContact O-CG2 3.41Å; L51-V55 PolarHBondContact O-N 3.25Å; L51-W63 HydrophobicContact CD1-CZ3 4.33Å; L51-I66 HydrophobicContact CD1-CG2 3.5Å; L51-I66 VanDerWaalsContact CD1-CG2 3.5Å; L51-L70 HydrophobicContact CB-CD1 4Å; L51-L70 HydrophobicContact CD1-CD1 4.05Å; L51-C78 HydrophobicContact CD1-CB 3.83Å; L51-C78 HydrophobicContact CD2-CB 4.42Å; L51-R81 HydrophobicContact CD2-CB 3.74Å; L51-R81 HydrophobicContact CD2-CG 3.72Å; L51-L86 HydrophobicContact CB-CD1 4.15Å; L51-L86 HydrophobicContact CD2-CD1 3.72Å; L51-L86 HydrophobicContact CG-CD1 3.99Å
52	K	93.5	Very high	90.7	Very high	89 Å²	89	82.9 Å²	82.9	39%	0.387	39%	0.392	S	S	.	.	H	α-helix	trans	-59.4	-50.9	173.8	-177.2	-171.1	175.7	-77.1	0	111.2	D48 E49 K50 L54 V55 E56 W82	D48-K52 WeakPolarHBondContact O-CB 3.49Å; D48-K52 PolarHBondContact O-N 3.27Å; E49-K52 PolarHBondContact O-N 3.23Å; K50-K52 VanDerWaalsContact C-N 3.34Å; K50-K52 PolarHBondContact O-N 3.37Å; K52-L54 VanDerWaalsContact C-N 3.29Å; K52-L54 PolarHBondContact O-N 3.28Å; K52-V55 PolarHBondContact O-N 3.46Å; K52-E56 IonicContact NZ-OE1 3.61Å; K52-E56 PolarHBondContact NZ-OE1 2.75Å; K52-E56 IonicContact NZ-OE2 2.73Å; K52-E56 PolarHBondContact NZ-OE2 3.24Å; K52-E56 VanDerWaalsContact O-CB 3.27Å; K52-E56 WeakPolarHBondContact O-CB 3.32Å; K52-E56 PolarHBondContact O-N 3.02Å; K52-W82 HydrophobicContact CB-CZ3 4.17Å; K52-W82 HydrophobicContact CG-CH2 4.37Å; K52-W82 HydrophobicContact CG-CZ3 4.07Å
53	K	92.8	Very high	90.9	Very high	126 Å²	126	73.5 Å²	73.5	55%	0.548	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-39.4	-179.7	-173.9	175.3	-179.9	177.5	0	111.9	E49 K50 E56 Q57	E49-K53 WeakPolarHBondContact O-CB 3.48Å; E49-K53 PolarHBondContact O-N 3.12Å; K50-K53 PolarHBondContact O-N 2.95Å; K53-E56 PolarHBondContact O-N 2.98Å; K53-Q57 WeakPolarHBondContact O-CB 3.43Å; K53-Q57 VanDerWaalsContact O-CG 3.23Å; K53-Q57 WeakPolarHBondContact O-CG 3.2Å; K53-Q57 PolarHBondContact O-N 3.42Å
54	L	92.1	Very high	90.9	Very high	11 Å²	11	78.9 Å²	78.9	6%	0.058	38%	0.381	C	S	.	.	H	α-helix	trans	-66.6	-43.7	176.7	-71	165.1	0	0	0	112.3	K50 L51 K52 E56 Q57 N58 I66 Y69 L70	K50-L54 HydrophobicContact CG-CD1 4.02Å; K50-L54 WeakPolarHBondContact O-CB 3.35Å; K50-L54 WeakPolarHBondContact O-CD1 3.34Å; K50-L54 VanDerWaalsContact O-CG 3.23Å; K50-L54 WeakPolarHBondContact O-CG 3.47Å; K50-L54 PolarHBondContact O-N 3.36Å; L51-L54 PolarHBondContact O-N 3.37Å; K52-L54 VanDerWaalsContact C-N 3.29Å; K52-L54 PolarHBondContact O-N 3.28Å; L54-E56 VanDerWaalsContact C-N 3.29Å; L54-E56 PolarHBondContact O-N 3.21Å; L54-Q57 PolarHBondContact O-N 3.23Å; L54-N58 WeakPolarHBondContact O-CB 3.48Å; L54-N58 PolarHBondContact O-N 3.12Å; L54-N58 PolarHBondContact O-OD1 3.19Å; L54-I66 HydrophobicContact CB-CG1 4.32Å; L54-I66 HydrophobicContact CB-CG2 3.99Å; L54-I66 HydrophobicContact CD1-CG2 4.17Å; L54-Y69 HydrophobicContact CD1-CD2 4.41Å; L54-Y69 HydrophobicContact CD1-CG 4.34Å; L54-Y69 HydrophobicContact CD2-CD2 3.51Å; L54-Y69 HydrophobicContact CD2-CE2 4.14Å; L54-Y69 HydrophobicContact CD2-CG 3.78Å; L54-L70 HydrophobicContact CD1-CD1 4.23Å; L54-L70 HydrophobicContact CD1-CG 4.27Å
55	V	92.3	Very high	90.8	Very high	9 Å²	9	78.6 Å²	78.6	6%	0.055	38%	0.38	C	S	.	.	H	α-helix	trans	-67.3	-32.6	175.3	177.4	0	0	0	0	111.7	L51 K52 Q57 G59 T60 W63 I66 W82	L51-V55 HydrophobicContact CD1-CG2 4.11Å; L51-V55 WeakPolarHBondContact O-CG2 3.41Å; L51-V55 PolarHBondContact O-N 3.25Å; K52-V55 PolarHBondContact O-N 3.46Å; V55-Q57 VanDerWaalsContact C-N 3.26Å; V55-Q57 PolarHBondContact O-N 3.17Å; V55-G59 VanDerWaalsContact O-CA 3.28Å; V55-G59 WeakPolarHBondContact O-CA 3.45Å; V55-G59 PolarHBondContact O-N 3.31Å; V55-T60 HydrophobicContact CG1-CG2 3.77Å; V55-W63 HydrophobicContact CG2-CH2 3.66Å; V55-W63 HydrophobicContact CG2-CZ3 3.64Å; V55-I66 HydrophobicContact CG2-CD1 3.8Å; V55-W82 HydrophobicContact CB-CD2 4.19Å; V55-W82 HydrophobicContact CB-CE3 4.14Å; V55-W82 HydrophobicContact CB-CH2 4.11Å; V55-W82 HydrophobicContact CB-CZ2 4.13Å; V55-W82 HydrophobicContact CB-CZ3 4.13Å; V55-W82 HydrophobicContact CG1-CD2 3.9Å; V55-W82 VanDerWaalsContact CG1-CE2 3.45Å; V55-W82 HydrophobicContact CG1-CE3 4.3Å; V55-W82 HydrophobicContact CG1-CG 4.49Å; V55-W82 HydrophobicContact CG1-CH2 3.92Å; V55-W82 HydrophobicContact CG1-CZ2 3.45Å; V55-W82 VanDerWaalsContact CG1-CZ2 3.45Å; V55-W82 HydrophobicContact CG1-CZ3 4.34Å; V55-W82 HydrophobicContact CG2-CD2 3.95Å; V55-W82 HydrophobicContact CG2-CE3 3.97Å; V55-W82 HydrophobicContact CG2-CG 4.28Å; V55-W82 HydrophobicContact CG2-CZ3 4.44Å
56	E	90.7	Very high	90.7	Very high	135 Å²	135	70.7 Å²	70.7	63%	0.631	35%	0.35	S	S	*	.	H	α-helix	trans	-71.2	-18.4	174.7	-168.5	160.8	-146.6	0	0	112.9	K52 K53 L54	K52-E56 IonicContact NZ-OE1 3.61Å; K52-E56 PolarHBondContact NZ-OE1 2.75Å; K52-E56 IonicContact NZ-OE2 2.73Å; K52-E56 PolarHBondContact NZ-OE2 3.24Å; K52-E56 VanDerWaalsContact O-CB 3.27Å; K52-E56 WeakPolarHBondContact O-CB 3.32Å; K52-E56 PolarHBondContact O-N 3.02Å; K53-E56 PolarHBondContact O-N 2.98Å; L54-E56 VanDerWaalsContact C-N 3.29Å; L54-E56 PolarHBondContact O-N 3.21Å
57	Q	88.6	Confident	90.8	Very high	129 Å²	129	65.4 Å²	65.4	60%	0.603	33%	0.327	S	S	*	.	H	α-helix	trans	-103.1	-34.6	178	-73.2	179.7	-35	0	0	114.2	K53 L54 V55	K53-Q57 WeakPolarHBondContact O-CB 3.43Å; K53-Q57 VanDerWaalsContact O-CG 3.23Å; K53-Q57 WeakPolarHBondContact O-CG 3.2Å; K53-Q57 PolarHBondContact O-N 3.42Å; L54-Q57 PolarHBondContact O-N 3.23Å; V55-Q57 VanDerWaalsContact C-N 3.26Å; V55-Q57 PolarHBondContact O-N 3.17Å
58	N	86.6	Confident	90.7	Very high	64 Å²	64	70.5 Å²	70.5	34%	0.342	36%	0.355	S	S	.	.	H	α-helix	trans	-112	-1.8	-173.5	-67.6	92.5	0	0	0	113.9	L54 I66	L54-N58 WeakPolarHBondContact O-CB 3.48Å; L54-N58 PolarHBondContact O-N 3.12Å; L54-N58 PolarHBondContact O-OD1 3.19Å; N58-I66 HydrophobicContact CB-CD1 4.47Å; N58-I66 HydrophobicContact CB-CG1 4.25Å
59	G	87	Confident	90.4	Very high	31 Å²	31	75 Å²	75	32%	0.32	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	-166.5	-174.3	0	0	0	0	0	113.2	V55	V55-G59 VanDerWaalsContact O-CA 3.28Å; V55-G59 WeakPolarHBondContact O-CA 3.45Å; V55-G59 PolarHBondContact O-N 3.31Å
60	T	86.4	Confident	90.2	Very high	68 Å²	68	70.8 Å²	70.8	42%	0.417	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	15.7	-172.9	47.6	0	0	0	0	114.2	V55 W63	V55-T60 HydrophobicContact CG1-CG2 3.77Å; T60-W63 HydrophobicContact CG2-CZ2 4.38Å; T60-W63 WeakPolarHBondContact O-CZ2 3.34Å; T60-W63 PolarHBondContact O-NE1 3.17Å
61	D	84.6	Confident	89.7	Confident	125 Å²	125	70 Å²	70	67%	0.668	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-50.8	-158.4	-48.2	-29.2	0	0	0	109.7	W63	D61-W63 PolarHBondContact O-N 3.37Å; D61-W63 VanDerWaalsContact O-N 3.09Å
62	D	89.1	Confident	89.4	Confident	101 Å²	101	74.6 Å²	74.6	54%	0.54	38%	0.381	S	S	.	.			trans	-86.9	62.5	178.7	-82.2	-50.1	0	0	0	114.7	K64 V65 I66	D62-K64 PolarHBondContact O-N 3.01Å; D62-V65 HydrophobicContact CB-CB 4.12Å; D62-V65 HydrophobicContact CB-CG2 3.93Å; D62-V65 WeakPolarHBondContact O-CB 3.39Å; D62-V65 PolarHBondContact O-N 3.09Å; D62-I66 PolarHBondContact O-N 3.31Å
63	W	91.9	Very high	89.1	Confident	19 Å²	19	70.9 Å²	70.9	7%	0.072	37%	0.365	C	S	.	.	H	α-helix	trans	-55.7	-26.4	177.6	-64.1	98.1	0	0	0	114.7	L51 V55 T60 D61 I66 A67 D75 C78 Q79 W82	L51-W63 HydrophobicContact CD1-CZ3 4.33Å; V55-W63 HydrophobicContact CG2-CH2 3.66Å; V55-W63 HydrophobicContact CG2-CZ3 3.64Å; T60-W63 HydrophobicContact CG2-CZ2 4.38Å; T60-W63 WeakPolarHBondContact O-CZ2 3.34Å; T60-W63 PolarHBondContact O-NE1 3.17Å; D61-W63 PolarHBondContact O-N 3.37Å; D61-W63 VanDerWaalsContact O-N 3.09Å; W63-I66 HydrophobicContact CE3-CD1 3.98Å; W63-I66 HydrophobicContact CZ3-CD1 4.01Å; W63-A67 WeakPolarHBondContact O-CB 3.23Å; W63-A67 PolarHBondContact O-N 3.46Å; W63-D75 HydrophobicContact CB-CB 3.88Å; W63-D75 WeakPolarHBondContact O-CB 3.4Å; W63-C78 HydrophobicContact CE3-CB 4.03Å; W63-C78 HydrophobicContact CZ3-CB 4.44Å; W63-Q79 HydrophobicContact CD2-CB 3.54Å; W63-Q79 HydrophobicContact CD2-CG 3.99Å; W63-Q79 HydrophobicContact CE3-CB 3.9Å; W63-Q79 HydrophobicContact CG-CB 3.85Å; W63-Q79 HydrophobicContact CG-CG 4.27Å; W63-Q79 HydrophobicContact CZ2-CB 4.39Å; W63-Q79 HydrophobicContact CZ2-CG 4.17Å; W63-Q79 HydrophobicContact CZ3-CB 4.47Å; W63-W82 HydrophobicContact CH2-CB 3.5Å; W63-W82 AromaticContact CH2-CD1 3.61Å; W63-W82 AromaticContact CH2-CG 3.61Å; W63-W82 HydrophobicContact CH2-CG 3.61Å; W63-W82 HydrophobicContact CZ2-CB 4.47Å; W63-W82 HydrophobicContact CZ2-CG 4.48Å; W63-W82 HydrophobicContact CZ3-CB 3.91Å; W63-W82 HydrophobicContact CZ3-CG 4.37Å
64	K	92	Very high	89.1	Confident	150 Å²	150	67.1 Å²	67.1	65%	0.652	35%	0.353	S	S	*	.	H	α-helix	trans	-66.9	-41.3	175.2	-65.6	175.4	-177.3	171.5	0	112	D62 A67 N68 D75	D62-K64 PolarHBondContact O-N 3.01Å; K64-A67 PolarHBondContact O-N 3.43Å; K64-N68 PolarHBondContact O-N 3.37Å; K64-D75 HydrophobicContact CG-CB 4.3Å
65	V	89.9	Confident	89.1	Confident	49 Å²	49	69 Å²	69	30%	0.297	36%	0.363	S	S	.	.	H	α-helix	trans	-65.4	-45.7	175.6	175.8	0	0	0	0	109.6	D62 A67 N68 Y69	D62-V65 HydrophobicContact CB-CB 4.12Å; D62-V65 HydrophobicContact CB-CG2 3.93Å; D62-V65 WeakPolarHBondContact O-CB 3.39Å; D62-V65 PolarHBondContact O-N 3.09Å; V65-A67 VanDerWaalsContact C-N 3.31Å; V65-A67 PolarHBondContact O-N 3.13Å; V65-N68 PolarHBondContact O-N 3.44Å; V65-Y69 HydrophobicContact CG1-CE2 3.93Å; V65-Y69 WeakPolarHBondContact O-CD2 3.48Å
66	I	90.5	Very high	89.1	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-40	177.1	-62.8	175.7	0	0	0	111.6	L51 L54 V55 N58 D62 W63 Y69 L70 C78	L51-I66 HydrophobicContact CD1-CG2 3.5Å; L51-I66 VanDerWaalsContact CD1-CG2 3.5Å; L54-I66 HydrophobicContact CB-CG1 4.32Å; L54-I66 HydrophobicContact CB-CG2 3.99Å; L54-I66 HydrophobicContact CD1-CG2 4.17Å; V55-I66 HydrophobicContact CG2-CD1 3.8Å; N58-I66 HydrophobicContact CB-CD1 4.47Å; N58-I66 HydrophobicContact CB-CG1 4.25Å; D62-I66 PolarHBondContact O-N 3.31Å; W63-I66 HydrophobicContact CE3-CD1 3.98Å; W63-I66 HydrophobicContact CZ3-CD1 4.01Å; I66-Y69 PolarHBondContact O-N 3.03Å; I66-L70 HydrophobicContact CG2-CD1 4.48Å; I66-C78 HydrophobicContact CG2-CB 4.35Å
67	A	92.1	Very high	89.2	Confident	13 Å²	13	67.9 Å²	67.9	11%	0.107	36%	0.362	C	S	.	.	H	α-helix	trans	-66.3	-33.6	177.9	0	0	0	0	0	113.7	W63 K64 V65 Y69 L70 D75	W63-A67 WeakPolarHBondContact O-CB 3.23Å; W63-A67 PolarHBondContact O-N 3.46Å; K64-A67 PolarHBondContact O-N 3.43Å; V65-A67 VanDerWaalsContact C-N 3.31Å; V65-A67 PolarHBondContact O-N 3.13Å; A67-Y69 PolarHBondContact O-N 3.26Å; A67-L70 CarbonylContact O-C 3.27Å; A67-L70 VanDerWaalsContact O-C 3.27Å; A67-L70 WeakPolarHBondContact O-CA 3.33Å; A67-L70 PolarHBondContact O-N 2.87Å; A67-L70 VanDerWaalsContact O-O 3.14Å; A67-D75 HydrophobicContact CB-CB 4.1Å
68	N	91.4	Very high	89.4	Confident	135 Å²	135	61.7 Å²	61.7	72%	0.722	33%	0.333	S	S	*	.	H	α-helix	trans	-60.5	-30.4	177.5	-72.5	-14.3	0	0	0	112.6	K64 V65 L70	K64-N68 PolarHBondContact O-N 3.37Å; V65-N68 PolarHBondContact O-N 3.44Å; N68-L70 VanDerWaalsContact C-N 3.32Å
69	Y	88.4	Confident	89.7	Confident	123 Å²	123	61.5 Å²	61.5	48%	0.482	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-7	174.9	-61.1	-74.6	0	0	0	114	K50 L54 V65 I66 A67	K50-Y69 VanDerWaalsContact CE-O 3.28Å; K50-Y69 WeakPolarHBondContact CE-O 3.36Å; K50-Y69 PolarHBondContact NZ-O 2.85Å; L54-Y69 HydrophobicContact CD1-CD2 4.41Å; L54-Y69 HydrophobicContact CD1-CG 4.34Å; L54-Y69 HydrophobicContact CD2-CD2 3.51Å; L54-Y69 HydrophobicContact CD2-CE2 4.14Å; L54-Y69 HydrophobicContact CD2-CG 3.78Å; V65-Y69 HydrophobicContact CG1-CE2 3.93Å; V65-Y69 WeakPolarHBondContact O-CD2 3.48Å; I66-Y69 PolarHBondContact O-N 3.03Å; A67-Y69 PolarHBondContact O-N 3.26Å
70	L	89.4	Confident	89.9	Confident	7 Å²	7	63.8 Å²	63.8	4%	0.037	33%	0.332	C	S	.	.	S	Bend	trans	-122.8	74.5	179.8	-72.1	165.4	0	0	0	109	E47 K50 L51 L54 I66 A67 N68 N72 R73 C78	E47-L70 HydrophobicContact CB-CD2 4.48Å; E47-L70 HydrophobicContact CG-CD2 4.5Å; K50-L70 HydrophobicContact CB-CD2 4.38Å; K50-L70 HydrophobicContact CD-CD2 3.99Å; K50-L70 HydrophobicContact CG-CD2 4.36Å; L51-L70 HydrophobicContact CB-CD1 4Å; L51-L70 HydrophobicContact CD1-CD1 4.05Å; L54-L70 HydrophobicContact CD1-CD1 4.23Å; L54-L70 HydrophobicContact CD1-CG 4.27Å; I66-L70 HydrophobicContact CG2-CD1 4.48Å; A67-L70 CarbonylContact O-C 3.27Å; A67-L70 VanDerWaalsContact O-C 3.27Å; A67-L70 WeakPolarHBondContact O-CA 3.33Å; A67-L70 PolarHBondContact O-N 2.87Å; A67-L70 VanDerWaalsContact O-O 3.14Å; N68-L70 VanDerWaalsContact C-N 3.32Å; L70-N72 PolarHBondContact O-N 3.31Å; L70-R73 HydrophobicContact CB-CB 4.02Å; L70-R73 HydrophobicContact CB-CG 4.16Å; L70-R73 PolarHBondContact O-N 3.05Å; L70-C78 VanDerWaalsContact CD1-SG 3.6Å
71	P	81.1	Confident	90.2	Very high	87 Å²	87	63 Å²	63	57%	0.565	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.8	-164.1	23.8	-35.6	0	0	0	115.5	R36 L38	R36-P71 PolarHBondContact NH1-O 3.32Å; L38-P71 WeakPolarHBondContact CD1-O 3.45Å
72	N	86.2	Confident	90.5	Very high	95 Å²	95	58 Å²	58	51%	0.508	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	8.8	176.9	-69.4	-31.6	0	0	0	114.1	L70	L70-N72 PolarHBondContact O-N 3.31Å
73	R	88.9	Confident	90.5	Very high	12 Å²	12	57.5 Å²	57.5	5%	0.045	29%	0.287	C	S	.	.	S	Bend	trans	-127.3	155.5	-179.1	-56.4	-62.4	173.2	-172.9	-0.8	111.4	T41 R42 W43 E47 L70 Q77	T41-R73 PolarHBondContact O-NH1 2.76Å; T41-R73 PolarHBondContact O-NH2 3.35Å; R42-R73 PolarHBondContact O-NH2 3.22Å; W43-R73 HydrophobicContact CH2-CB 4.28Å; W43-R73 HydrophobicContact CH2-CG 3.73Å; W43-R73 HydrophobicContact CZ2-CG 4.06Å; W43-R73 HydrophobicContact CZ3-CG 4.19Å; E47-R73 VanDerWaalsContact CD-NH2 3.32Å; E47-R73 IonicContact OE1-CZ 3.33Å; E47-R73 IonicContact OE1-NE 2.74Å; E47-R73 PolarHBondContact OE1-NE 2.94Å; E47-R73 IonicContact OE1-NH2 3.13Å; E47-R73 PolarHBondContact OE1-NH2 3.32Å; E47-R73 VanDerWaalsContact OE1-NH2 3.13Å; E47-R73 IonicContact OE2-CZ 3.51Å; E47-R73 IonicContact OE2-NE 3.53Å; E47-R73 IonicContact OE2-NH2 2.7Å; E47-R73 PolarHBondContact OE2-NH2 2.99Å; L70-R73 HydrophobicContact CB-CB 4.02Å; L70-R73 HydrophobicContact CB-CG 4.16Å; L70-R73 PolarHBondContact O-N 3.05Å; R73-Q77 VanDerWaalsContact CD-OE1 3.3Å
74	T	92.7	Very high	90.4	Very high	46 Å²	46	61.7 Å²	61.7	28%	0.282	31%	0.306	S	S	.	.			trans	-97.9	159.5	168.3	72.1	0	0	0	0	111.2	L38 V76 Q77 C78	L38-T74 HydrophobicContact CD2-CG2 3.99Å; T74-V76 VanDerWaalsContact C-N 3.3Å; T74-V76 PolarHBondContact O-N 3.03Å; T74-Q77 WeakPolarHBondContact O-CA 3.19Å; T74-Q77 WeakPolarHBondContact O-CB 3.31Å; T74-Q77 PolarHBondContact O-N 3.36Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.43Å; T74-Q77 PolarHBondContact OG1-N 2.7Å; T74-Q77 VanDerWaalsContact OG1-N 3.13Å; T74-C78 PolarHBondContact O-N 2.92Å; T74-C78 PolarHBondContact O-SG 2.82Å
75	D	92.4	Very high	90.1	Very high	50 Å²	50	57 Å²	57	27%	0.267	29%	0.29	S	S	.	.	H	α-helix	trans	-49	-48.2	169.6	58.2	-19.8	0	0	0	112.5	W63 K64 A67 Q77 C78 Q79	W63-D75 HydrophobicContact CB-CB 3.88Å; W63-D75 WeakPolarHBondContact O-CB 3.4Å; K64-D75 HydrophobicContact CG-CB 4.3Å; A67-D75 HydrophobicContact CB-CB 4.1Å; D75-Q77 VanDerWaalsContact C-N 3.34Å; D75-Q77 PolarHBondContact O-N 3.13Å; D75-C78 PolarHBondContact O-N 2.63Å; D75-Q79 WeakPolarHBondContact O-CB 3.41Å; D75-Q79 PolarHBondContact O-N 3.13Å
76	V	91.6	Very high	90	Very high	73 Å²	73	56 Å²	56	44%	0.442	28%	0.283	S	S	.	.	H	α-helix	trans	-64.6	-35.4	176.4	178.8	0	0	0	0	112	T74 H80	T74-V76 VanDerWaalsContact C-N 3.3Å; T74-V76 PolarHBondContact O-N 3.03Å; V76-H80 VanDerWaalsContact O-CB 3.23Å; V76-H80 WeakPolarHBondContact O-CB 3.41Å; V76-H80 PolarHBondContact O-N 2.74Å; V76-H80 PolarHBondContact O-ND1 3.01Å
77	Q	92	Very high	89.8	Confident	48 Å²	48	57.2 Å²	57.2	22%	0.224	29%	0.289	C	S	.	.	H	α-helix	trans	-68	-44.1	173.8	-72.2	174.8	8.5	0	0	111.4	L38 W43 R73 T74 D75 H80 R81	L38-Q77 PolarHBondContact O-NE2 2.82Å; W43-Q77 HydrophobicContact CZ2-CB 4.2Å; R73-Q77 VanDerWaalsContact CD-OE1 3.3Å; T74-Q77 WeakPolarHBondContact O-CA 3.19Å; T74-Q77 WeakPolarHBondContact O-CB 3.31Å; T74-Q77 PolarHBondContact O-N 3.36Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.43Å; T74-Q77 PolarHBondContact OG1-N 2.7Å; T74-Q77 VanDerWaalsContact OG1-N 3.13Å; D75-Q77 VanDerWaalsContact C-N 3.34Å; D75-Q77 PolarHBondContact O-N 3.13Å; Q77-H80 PolarHBondContact O-N 3.31Å; Q77-R81 VanDerWaalsContact O-CB 3.31Å; Q77-R81 WeakPolarHBondContact O-CB 3.43Å; Q77-R81 PolarHBondContact O-N 3.11Å
78	C	92.8	Very high	89.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-49.4	176.6	-67.4	0	0	0	0	111.4	L51 W63 I66 L70 T74 D75 H80 R81 W82	L51-C78 HydrophobicContact CD1-CB 3.83Å; L51-C78 HydrophobicContact CD2-CB 4.42Å; W63-C78 HydrophobicContact CE3-CB 4.03Å; W63-C78 HydrophobicContact CZ3-CB 4.44Å; I66-C78 HydrophobicContact CG2-CB 4.35Å; L70-C78 VanDerWaalsContact CD1-SG 3.6Å; T74-C78 PolarHBondContact O-N 2.92Å; T74-C78 PolarHBondContact O-SG 2.82Å; D75-C78 PolarHBondContact O-N 2.63Å; C78-H80 PolarHBondContact O-N 3.13Å; C78-R81 PolarHBondContact O-N 3.31Å; C78-W82 PolarHBondContact O-N 2.67Å
79	Q	92.3	Very high	89	Confident	60 Å²	60	61.7 Å²	61.7	28%	0.28	31%	0.313	S	S	.	.	H	α-helix	trans	-57	-49.2	175.5	-176.3	-176.5	89.6	0	0	111.3	W63 D75 R81 W82 Q83	W63-Q79 HydrophobicContact CD2-CB 3.54Å; W63-Q79 HydrophobicContact CD2-CG 3.99Å; W63-Q79 HydrophobicContact CE3-CB 3.9Å; W63-Q79 HydrophobicContact CG-CB 3.85Å; W63-Q79 HydrophobicContact CG-CG 4.27Å; W63-Q79 HydrophobicContact CZ2-CB 4.39Å; W63-Q79 HydrophobicContact CZ2-CG 4.17Å; W63-Q79 HydrophobicContact CZ3-CB 4.47Å; D75-Q79 WeakPolarHBondContact O-CB 3.41Å; D75-Q79 PolarHBondContact O-N 3.13Å; Q79-R81 VanDerWaalsContact C-N 3.34Å; Q79-R81 PolarHBondContact O-N 3.42Å; Q79-W82 PolarHBondContact O-N 2.61Å; Q79-Q83 HydrophobicContact CG-CG 4.31Å; Q79-Q83 WeakPolarHBondContact O-CB 3.23Å; Q79-Q83 VanDerWaalsContact O-CG 3.31Å; Q79-Q83 WeakPolarHBondContact O-CG 3.38Å; Q79-Q83 PolarHBondContact O-N 3.17Å
80	H	91.6	Very high	88.9	Confident	78 Å²	78	57 Å²	57	36%	0.361	30%	0.296	S	S	.	.	H	α-helix	trans	-63.6	-37.1	178	-78.6	160.7	0	0	0	113.1	V76 Q77 C78 K84	V76-H80 VanDerWaalsContact O-CB 3.23Å; V76-H80 WeakPolarHBondContact O-CB 3.41Å; V76-H80 PolarHBondContact O-N 2.74Å; V76-H80 PolarHBondContact O-ND1 3.01Å; Q77-H80 PolarHBondContact O-N 3.31Å; C78-H80 PolarHBondContact O-N 3.13Å; H80-K84 HydrophobicContact CB-CD 4.4Å; H80-K84 PolarHBondContact CD2-NZ 3.5Å; H80-K84 PolarHBondContact NE2-NZ 3.1Å; H80-K84 VanDerWaalsContact NE2-NZ 3.11Å; H80-K84 WeakPolarHBondContact O-CB 3.33Å; H80-K84 WeakPolarHBondContact O-CG 3.31Å; H80-K84 PolarHBondContact O-N 3.08Å; H80-K84 VanDerWaalsContact O-N 3.12Å
81	R	92.4	Very high	88.7	Confident	53 Å²	53	60 Å²	60	20%	0.2	31%	0.311	C	S	.	.	H	α-helix	trans	-67.1	-42.5	176.4	-175.1	66.1	175.3	-174.7	-0.5	110.9	W43 D48 L51 Q77 C78 Q79 V85 L86	W43-R81 VanDerWaalsContact CB-CZ 3.41Å; W43-R81 HydrophobicContact CD2-CB 4.3Å; W43-R81 HydrophobicContact CD2-CG 3.67Å; W43-R81 HydrophobicContact CE3-CG 3.8Å; W43-R81 HydrophobicContact CG-CG 4.29Å; W43-R81 HydrophobicContact CH2-CB 3.92Å; W43-R81 HydrophobicContact CH2-CG 4.02Å; W43-R81 HydrophobicContact CZ2-CB 3.57Å; W43-R81 HydrophobicContact CZ2-CG 3.86Å; W43-R81 HydrophobicContact CZ3-CB 4.39Å; W43-R81 HydrophobicContact CZ3-CG 3.98Å; D48-R81 VanDerWaalsContact CG-NH2 3.3Å; D48-R81 IonicContact OD1-CZ 2.67Å; D48-R81 VanDerWaalsContact OD1-CZ 3.31Å; D48-R81 IonicContact OD1-NE 3.49Å; D48-R81 PolarHBondContact OD1-NE 3Å; D48-R81 IonicContact OD1-NH2 2.61Å; D48-R81 PolarHBondContact OD1-NH2 3.04Å; D48-R81 VanDerWaalsContact OD1-NH2 3.11Å; D48-R81 IonicContact OD2-CZ 2.61Å; D48-R81 IonicContact OD2-NE 3.17Å; D48-R81 IonicContact OD2-NH2 3.46Å; D48-R81 PolarHBondContact OD2-NH2 3.06Å; L51-R81 HydrophobicContact CD2-CB 3.74Å; L51-R81 HydrophobicContact CD2-CG 3.72Å; Q77-R81 VanDerWaalsContact O-CB 3.31Å; Q77-R81 WeakPolarHBondContact O-CB 3.43Å; Q77-R81 PolarHBondContact O-N 3.11Å; C78-R81 PolarHBondContact O-N 3.31Å; Q79-R81 VanDerWaalsContact C-N 3.34Å; Q79-R81 PolarHBondContact O-N 3.42Å; R81-V85 WeakPolarHBondContact O-CA 3.49Å; R81-V85 VanDerWaalsContact O-CB 3.31Å; R81-V85 WeakPolarHBondContact O-CB 3.49Å; R81-V85 PolarHBondContact O-N 2.94Å; R81-L86 HydrophobicContact CG-CD1 3.93Å; R81-L86 HydrophobicContact CG-CG 4.2Å; R81-L86 PolarHBondContact O-N 3.36Å; R81-L86 VanDerWaalsContact O-N 3.09Å
82	W	91.9	Very high	88.8	Confident	20 Å²	20	63.1 Å²	63.1	8%	0.076	32%	0.316	C	S	.	.	I	π-helix	trans	-59.7	-63.3	173.5	-173.5	-109.7	0	0	0	111.8	K52 V55 W63 C78 Q79 K84 V85 L86 N87 P88	K52-W82 HydrophobicContact CB-CZ3 4.17Å; K52-W82 HydrophobicContact CG-CH2 4.37Å; K52-W82 HydrophobicContact CG-CZ3 4.07Å; V55-W82 HydrophobicContact CB-CD2 4.19Å; V55-W82 HydrophobicContact CB-CE3 4.14Å; V55-W82 HydrophobicContact CB-CH2 4.11Å; V55-W82 HydrophobicContact CB-CZ2 4.13Å; V55-W82 HydrophobicContact CB-CZ3 4.13Å; V55-W82 HydrophobicContact CG1-CD2 3.9Å; V55-W82 VanDerWaalsContact CG1-CE2 3.45Å; V55-W82 HydrophobicContact CG1-CE3 4.3Å; V55-W82 HydrophobicContact CG1-CG 4.49Å; V55-W82 HydrophobicContact CG1-CH2 3.92Å; V55-W82 HydrophobicContact CG1-CZ2 3.45Å; V55-W82 VanDerWaalsContact CG1-CZ2 3.45Å; V55-W82 HydrophobicContact CG1-CZ3 4.34Å; V55-W82 HydrophobicContact CG2-CD2 3.95Å; V55-W82 HydrophobicContact CG2-CE3 3.97Å; V55-W82 HydrophobicContact CG2-CG 4.28Å; V55-W82 HydrophobicContact CG2-CZ3 4.44Å; W63-W82 HydrophobicContact CH2-CB 3.5Å; W63-W82 AromaticContact CH2-CD1 3.61Å; W63-W82 AromaticContact CH2-CG 3.61Å; W63-W82 HydrophobicContact CH2-CG 3.61Å; W63-W82 HydrophobicContact CZ2-CB 4.47Å; W63-W82 HydrophobicContact CZ2-CG 4.48Å; W63-W82 HydrophobicContact CZ3-CB 3.91Å; W63-W82 HydrophobicContact CZ3-CG 4.37Å; C78-W82 PolarHBondContact O-N 2.67Å; Q79-W82 PolarHBondContact O-N 2.61Å; W82-K84 PolarHBondContact O-N 3.39Å; W82-K84 VanDerWaalsContact O-N 3.13Å; W82-V85 PolarHBondContact O-N 2.73Å; W82-L86 HydrophobicContact CD2-CB 4.44Å; W82-L86 HydrophobicContact CE3-CB 3.53Å; W82-L86 HydrophobicContact CZ3-CB 3.86Å; W82-L86 PolarHBondContact O-N 3.27Å; W82-L86 VanDerWaalsContact O-N 3.11Å; W82-N87 HydrophobicContact CD2-CB 4.24Å; W82-N87 HydrophobicContact CG-CB 4.38Å; W82-N87 HydrophobicContact CZ2-CB 4.34Å; W82-N87 WeakPolarHBondContact O-CB 3.38Å; W82-N87 PolarHBondContact O-N 2.93Å; W82-P88 VanDerWaalsContact CZ2-CD 3.44Å; W82-P88 HydrophobicContact CZ2-CG 4.48Å
83	Q	89.8	Confident	88.9	Confident	89 Å²	89	60.2 Å²	60.2	42%	0.416	31%	0.309	S	S	.	.	I	π-helix	trans	-58	-30.3	-174.9	-70.8	174.7	-6.6	0	0	114.3	Q79	Q79-Q83 HydrophobicContact CG-CG 4.31Å; Q79-Q83 WeakPolarHBondContact O-CB 3.23Å; Q79-Q83 VanDerWaalsContact O-CG 3.31Å; Q79-Q83 WeakPolarHBondContact O-CG 3.38Å; Q79-Q83 PolarHBondContact O-N 3.17Å
84	K	88.1	Confident	89	Confident	107 Å²	107	65.3 Å²	65.3	47%	0.465	34%	0.343	S	S	.	.	I	π-helix	trans	-108	-13.9	-171.8	-57.8	167.3	-173.9	167.3	0	113.9	H80 W82 I126	H80-K84 HydrophobicContact CB-CD 4.4Å; H80-K84 PolarHBondContact CD2-NZ 3.5Å; H80-K84 PolarHBondContact NE2-NZ 3.1Å; H80-K84 VanDerWaalsContact NE2-NZ 3.11Å; H80-K84 WeakPolarHBondContact O-CB 3.33Å; H80-K84 WeakPolarHBondContact O-CG 3.31Å; H80-K84 PolarHBondContact O-N 3.08Å; H80-K84 VanDerWaalsContact O-N 3.12Å; W82-K84 PolarHBondContact O-N 3.39Å; W82-K84 VanDerWaalsContact O-N 3.13Å; K84-I126 WeakPolarHBondContact O-CD1 3.22Å
85	V	86.7	Confident	89	Confident	52 Å²	52	65.6 Å²	65.6	32%	0.315	34%	0.339	S	S	.	.	I	π-helix	trans	-139.4	-43.3	-173	-168	0	0	0	0	113.8	R81 W82 K92	R81-V85 WeakPolarHBondContact O-CA 3.49Å; R81-V85 VanDerWaalsContact O-CB 3.31Å; R81-V85 WeakPolarHBondContact O-CB 3.49Å; R81-V85 PolarHBondContact O-N 2.94Å; W82-V85 PolarHBondContact O-N 2.73Å; V85-K92 WeakPolarHBondContact O-CE 3.16Å; V85-K92 PolarHBondContact O-NZ 2.86Å
86	L	88.2	Confident	89.1	Confident	28 Å²	28	66.2 Å²	66.2	15%	0.147	35%	0.345	C	S	.	.	I	π-helix	trans	-102.9	-26.5	-168	-59.4	178.7	0	0	0	116	D48 L51 R81 W82	D48-L86 HydrophobicContact CB-CD1 4.02Å; D48-L86 HydrophobicContact CB-CD2 3.9Å; L51-L86 HydrophobicContact CB-CD1 4.15Å; L51-L86 HydrophobicContact CD2-CD1 3.72Å; L51-L86 HydrophobicContact CG-CD1 3.99Å; R81-L86 HydrophobicContact CG-CD1 3.93Å; R81-L86 HydrophobicContact CG-CG 4.2Å; R81-L86 PolarHBondContact O-N 3.36Å; R81-L86 VanDerWaalsContact O-N 3.09Å; W82-L86 HydrophobicContact CD2-CB 4.44Å; W82-L86 HydrophobicContact CE3-CB 3.53Å; W82-L86 HydrophobicContact CZ3-CB 3.86Å; W82-L86 PolarHBondContact O-N 3.27Å; W82-L86 VanDerWaalsContact O-N 3.11Å
87	N	85.9	Confident	89.3	Confident	25 Å²	25	70.9 Å²	70.9	13%	0.134	36%	0.359	C	S	.	.			trans	-50.5	123.1	-178.5	175.7	-1	0	0	0	110.6	W82 E89 L90	W82-N87 HydrophobicContact CD2-CB 4.24Å; W82-N87 HydrophobicContact CG-CB 4.38Å; W82-N87 HydrophobicContact CZ2-CB 4.34Å; W82-N87 WeakPolarHBondContact O-CB 3.38Å; W82-N87 PolarHBondContact O-N 2.93Å; N87-E89 PolarHBondContact ND2-OE2 3.3Å; N87-E89 PolarHBondContact O-N 3.17Å; N87-E89 WeakPolarHBondContact OD1-CB 3.28Å; N87-E89 WeakPolarHBondContact OD1-CG 3.16Å; N87-E89 PolarHBondContact OD1-N 3.11Å; N87-L90 HydrophobicContact CB-CD1 4.11Å; N87-L90 HydrophobicContact CB-CG 4.07Å; N87-L90 VanDerWaalsContact O-CB 3.27Å; N87-L90 WeakPolarHBondContact O-CB 3.39Å; N87-L90 WeakPolarHBondContact O-CG 3.44Å; N87-L90 PolarHBondContact O-N 3.01Å
88	P	84.3	Confident	89.4	Confident	103 Å²	103	74.4 Å²	74.4	67%	0.669	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.9	-178.5	26.6	-36.1	0	0	0	114.1	W82 L90	W82-P88 VanDerWaalsContact CZ2-CD 3.44Å; W82-P88 HydrophobicContact CZ2-CG 4.48Å; P88-L90 PolarHBondContact O-N 2.99Å
89	E	83.3	Confident	89.4	Confident	140 Å²	140	74.8 Å²	74.8	65%	0.654	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.1	171.7	-59.8	180	119.3	0	0	113.2	N87 I91 G124	N87-E89 PolarHBondContact ND2-OE2 3.3Å; N87-E89 PolarHBondContact O-N 3.17Å; N87-E89 WeakPolarHBondContact OD1-CB 3.28Å; N87-E89 WeakPolarHBondContact OD1-CG 3.16Å; N87-E89 PolarHBondContact OD1-N 3.11Å; E89-I91 PolarHBondContact O-N 2.68Å; E89-G124 WeakPolarHBondContact O-CA 3.42Å
90	L	85.2	Confident	89.6	Confident	25 Å²	25	73 Å²	73	13%	0.131	37%	0.369	C	S	.	.	S	Bend	trans	-72.5	115	-178.8	-63.1	173.9	0	0	0	111.1	N87 P88 K92 G124 I126	N87-L90 HydrophobicContact CB-CD1 4.11Å; N87-L90 HydrophobicContact CB-CG 4.07Å; N87-L90 VanDerWaalsContact O-CB 3.27Å; N87-L90 WeakPolarHBondContact O-CB 3.39Å; N87-L90 WeakPolarHBondContact O-CG 3.44Å; N87-L90 PolarHBondContact O-N 3.01Å; P88-L90 PolarHBondContact O-N 2.99Å; L90-K92 PolarHBondContact O-N 3.01Å; L90-G124 WeakPolarHBondContact CA-O 3.44Å; L90-I126 HydrophobicContact CD1-CD1 4.33Å; L90-I126 HydrophobicContact CD2-CD1 3.95Å; L90-I126 HydrophobicContact CD2-CG1 3.81Å
91	I	85.8	Confident	89.8	Confident	70 Å²	70	73.7 Å²	73.7	36%	0.359	37%	0.373	S	S	.	.			trans	-73.5	93.2	179.8	-58.3	178.3	0	0	0	109.6	E89 G93 K123 G124 R125	E89-I91 PolarHBondContact O-N 2.68Å; I91-G93 PolarHBondContact O-N 3.43Å; I91-K123 VanDerWaalsContact CD1-O 3.25Å; I91-K123 WeakPolarHBondContact CD1-O 3.43Å; I91-G124 PolarHBondContact N-O 3.01Å; I91-R125 VanDerWaalsContact CG2-CZ 3.46Å; I91-R125 PolarHBondContact O-NH1 3.2Å
92	K	83.3	Confident	89.9	Confident	152 Å²	152	75.3 Å²	75.3	66%	0.661	38%	0.379	S	S	*	.			trans	-84.9	74.9	170.1	-64.4	168.2	-173	169.7	0	109.5	V85 L90	V85-K92 WeakPolarHBondContact O-CE 3.16Å; V85-K92 PolarHBondContact O-NZ 2.86Å; L90-K92 PolarHBondContact O-N 3.01Å
93	G	86.9	Confident	90.1	Very high	34 Å²	34	74.3 Å²	74.3	35%	0.351	38%	0.375	S	S	.	.	S	Bend	trans	-163	175.1	-177.2	0	0	0	0	0	114	I91 R125	I91-G93 PolarHBondContact O-N 3.43Å; G93-R125 PolarHBondContact O-NH1 3.49Å; G93-R125 PolarHBondContact O-NH2 3.45Å
94	P	91.3	Very high	90.3	Very high	119 Å²	119	72.7 Å²	72.7	77%	0.773	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-57.8	156	174	27.9	-35.9	0	0	0	111	R125	P94-R125 PolarHBondContact O-NH2 2.91Å
95	W	94.1	Very high	90.7	Very high	52 Å²	52	72.1 Å²	72.1	20%	0.197	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-78.6	132.6	175.8	-75.1	82.6	0	0	0	110.8	E99 V103 R125 Q129 R133	W95-E99 WeakPolarHBondContact CA-OE2 3.23Å; W95-E99 HydrophobicContact CE3-CB 3.69Å; W95-E99 HydrophobicContact CZ3-CB 4Å; W95-V103 HydrophobicContact CH2-CG2 4Å; W95-V103 HydrophobicContact CZ3-CG2 3.57Å; W95-R125 HydrophobicContact CH2-CB 4.3Å; W95-R125 HydrophobicContact CH2-CG 4.17Å; W95-R125 HydrophobicContact CZ3-CG 4.37Å; W95-Q129 HydrophobicContact CZ2-CB 3.91Å; W95-R133 HydrophobicContact CD2-CB 4.2Å; W95-R133 HydrophobicContact CD2-CG 3.62Å; W95-R133 HydrophobicContact CE3-CG 3.96Å; W95-R133 HydrophobicContact CG-CG 4.02Å; W95-R133 HydrophobicContact CH2-CB 4.14Å; W95-R133 HydrophobicContact CH2-CG 4.33Å; W95-R133 HydrophobicContact CZ2-CB 3.63Å; W95-R133 HydrophobicContact CZ2-CG 3.99Å; W95-R133 HydrophobicContact CZ3-CG 4.32Å
96	T	94.6	Very high	91.2	Very high	63 Å²	63	70.6 Å²	70.6	39%	0.387	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-88.1	160.6	171	91.2	0	0	0	0	110.9	E98 E99 D100	T96-E98 WeakPolarHBondContact CB-OE2 3.47Å; T96-E98 PolarHBondContact O-N 3.42Å; T96-E98 PolarHBondContact OG1-N 3.32Å; T96-E98 PolarHBondContact OG1-OE2 2.88Å; T96-E99 PolarHBondContact N-OE2 3.43Å; T96-E99 PolarHBondContact O-N 2.9Å; T96-E99 VanDerWaalsContact O-N 3.16Å; T96-E99 PolarHBondContact OG1-N 3.41Å; T96-D100 PolarHBondContact O-N 3.04Å
97	K	94.2	Very high	91.5	Very high	171 Å²	171	69.5 Å²	69.5	74%	0.743	35%	0.353	S	S	*	.	H	α-helix	trans	-64.3	-29	179.8	-67.2	-176	178.2	-177.7	0	112	Q101	K97-Q101 WeakPolarHBondContact O-CB 3.4Å; K97-Q101 PolarHBondContact O-N 3.45Å
98	E	94.2	Very high	92	Very high	121 Å²	121	76.3 Å²	76.3	57%	0.565	38%	0.383	S	S	*	.	H	α-helix	trans	-80.4	-18.2	-179.6	-49.6	70	-148.4	0	0	112.1	T96 R102	T96-E98 WeakPolarHBondContact CB-OE2 3.47Å; T96-E98 PolarHBondContact O-N 3.42Å; T96-E98 PolarHBondContact OG1-N 3.32Å; T96-E98 PolarHBondContact OG1-OE2 2.88Å; E98-R102 PolarHBondContact O-NE 2.98Å
99	E	94.3	Very high	92.5	Very high	9 Å²	9	78.1 Å²	78.1	4%	0.042	38%	0.381	C	S	.	.	H	α-helix	trans	-83.9	-46	165.6	-63.7	177.7	116.5	0	0	111	W95 T96 Q101 R102 V103 R125	W95-E99 WeakPolarHBondContact CA-OE2 3.23Å; W95-E99 HydrophobicContact CE3-CB 3.69Å; W95-E99 HydrophobicContact CZ3-CB 4Å; T96-E99 PolarHBondContact N-OE2 3.43Å; T96-E99 PolarHBondContact O-N 2.9Å; T96-E99 VanDerWaalsContact O-N 3.16Å; T96-E99 PolarHBondContact OG1-N 3.41Å; E99-Q101 PolarHBondContact O-N 3.3Å; E99-R102 PolarHBondContact O-N 3.16Å; E99-V103 WeakPolarHBondContact O-CG2 3.03Å; E99-V103 PolarHBondContact O-N 3.27Å; E99-R125 VanDerWaalsContact CD-NH2 3.31Å; E99-R125 IonicContact OE1-CZ 2.69Å; E99-R125 IonicContact OE1-NE 3.44Å; E99-R125 PolarHBondContact OE1-NE 3Å; E99-R125 IonicContact OE1-NH2 3.53Å; E99-R125 PolarHBondContact OE1-NH2 2.79Å; E99-R125 VanDerWaalsContact OE1-NH2 3.15Å; E99-R125 IonicContact OE2-CZ 2.74Å; E99-R125 IonicContact OE2-NE 2.72Å; E99-R125 IonicContact OE2-NH2 3.31Å; E99-R125 PolarHBondContact OE2-NH2 3.17Å
100	D	95.3	Very high	93	Very high	21 Å²	21	73.6 Å²	73.6	11%	0.112	36%	0.358	C	S	.	.	H	α-helix	trans	-57.4	-47	176.9	-76.3	-25.1	0	0	0	111.6	T96 R102 V103 I104 R133 L138	T96-D100 PolarHBondContact O-N 3.04Å; D100-R102 PolarHBondContact O-N 3.28Å; D100-V103 WeakPolarHBondContact O-CB 3.27Å; D100-V103 PolarHBondContact O-N 2.84Å; D100-V103 VanDerWaalsContact O-N 3.17Å; D100-I104 WeakPolarHBondContact O-CG1 3.42Å; D100-I104 PolarHBondContact O-N 3.16Å; D100-R133 IonicContact OD1-CZ 3.39Å; D100-R133 IonicContact OD1-NE 2.73Å; D100-R133 PolarHBondContact OD1-NE 3.17Å; D100-R133 IonicContact OD1-NH2 3.19Å; D100-R133 PolarHBondContact OD1-NH2 3Å; D100-R133 IonicContact OD2-CZ 2.68Å; D100-R133 IonicContact OD2-NE 2.77Å; D100-R133 IonicContact OD2-NH2 3.74Å; D100-R133 PolarHBondContact OD2-NH2 3.23Å; D100-L138 HydrophobicContact CB-CD1 4.08Å; D100-L138 HydrophobicContact CB-CD2 3.73Å
101	Q	96	Very high	93.4	Very high	94 Å²	94	73.6 Å²	73.6	44%	0.439	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-43.6	176.8	179.8	58.9	28.5	0	0	111.8	K97 E99 I104 E105	K97-Q101 WeakPolarHBondContact O-CB 3.4Å; K97-Q101 PolarHBondContact O-N 3.45Å; E99-Q101 PolarHBondContact O-N 3.3Å; Q101-I104 WeakPolarHBondContact O-CB 3.41Å; Q101-I104 PolarHBondContact O-N 3.28Å; Q101-E105 WeakPolarHBondContact CG-OE1 3.48Å; Q101-E105 PolarHBondContact NE2-OE1 2.87Å; Q101-E105 WeakPolarHBondContact O-CG 3.36Å; Q101-E105 PolarHBondContact O-N 3.47Å
102	R	94.8	Very high	93.7	Very high	86 Å²	86	73.5 Å²	73.5	33%	0.325	37%	0.368	S	S	.	.	H	α-helix	trans	-65.6	-37.9	174.4	-81	-177.2	-67.7	147.8	-1.1	112.2	E98 E99 D100 I104 E105 L106 H121 L122	E98-R102 PolarHBondContact O-NE 2.98Å; E99-R102 PolarHBondContact O-N 3.16Å; D100-R102 PolarHBondContact O-N 3.28Å; R102-I104 VanDerWaalsContact C-N 3.29Å; R102-I104 PolarHBondContact O-N 2.95Å; R102-E105 PolarHBondContact O-N 3.4Å; R102-L106 HydrophobicContact CB-CD1 4.37Å; R102-L106 WeakPolarHBondContact O-CB 3.49Å; R102-L106 VanDerWaalsContact O-CD1 3.25Å; R102-L106 WeakPolarHBondContact O-CD1 3.16Å; R102-L106 WeakPolarHBondContact O-CG 3.3Å; R102-L106 PolarHBondContact O-N 3.47Å; R102-H121 PolarHBondContact NH1-O 3.33Å; R102-L122 HydrophobicContact CB-CD2 3.69Å
103	V	95.8	Very high	94.2	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-59.8	-42.4	172.5	173.9	0	0	0	0	110.3	W95 E99 D100 V107 L122 W134 L138	W95-V103 HydrophobicContact CH2-CG2 4Å; W95-V103 HydrophobicContact CZ3-CG2 3.57Å; E99-V103 WeakPolarHBondContact O-CG2 3.03Å; E99-V103 PolarHBondContact O-N 3.27Å; D100-V103 WeakPolarHBondContact O-CB 3.27Å; D100-V103 PolarHBondContact O-N 2.84Å; D100-V103 VanDerWaalsContact O-N 3.17Å; V103-V107 HydrophobicContact CG1-CG2 4.17Å; V103-V107 VanDerWaalsContact O-CB 3.31Å; V103-V107 WeakPolarHBondContact O-CB 3.26Å; V103-V107 WeakPolarHBondContact O-CG2 3.44Å; V103-V107 PolarHBondContact O-N 2.9Å; V103-L122 HydrophobicContact CG2-CD1 3.55Å; V103-L122 HydrophobicContact CG2-CD2 4.46Å; V103-W134 HydrophobicContact CG1-CB 4.38Å; V103-W134 HydrophobicContact CG1-CE3 4.33Å; V103-L138 HydrophobicContact CB-CD1 3.74Å; V103-L138 HydrophobicContact CG1-CD1 3.69Å; V103-L138 HydrophobicContact CG2-CD1 4.5Å
104	I	95.4	Very high	94.5	Very high	55 Å²	55	80.1 Å²	80.1	28%	0.282	38%	0.383	S	S	.	.	H	α-helix	trans	-61.3	-52.7	177.3	-67	156.2	0	0	0	111.1	D100 Q101 R102 L106 V107 Q108 W134 L138	D100-I104 WeakPolarHBondContact O-CG1 3.42Å; D100-I104 PolarHBondContact O-N 3.16Å; Q101-I104 WeakPolarHBondContact O-CB 3.41Å; Q101-I104 PolarHBondContact O-N 3.28Å; R102-I104 VanDerWaalsContact C-N 3.29Å; R102-I104 PolarHBondContact O-N 2.95Å; I104-L106 VanDerWaalsContact C-N 3.35Å; I104-L106 PolarHBondContact O-N 2.91Å; I104-V107 PolarHBondContact O-N 3.46Å; I104-Q108 WeakPolarHBondContact O-CB 3.27Å; I104-Q108 PolarHBondContact O-N 2.59Å; I104-W134 HydrophobicContact CB-CZ3 4.4Å; I104-W134 HydrophobicContact CG1-CZ3 4Å; I104-L138 HydrophobicContact CD1-CB 4.45Å; I104-L138 HydrophobicContact CD1-CD2 4.44Å; I104-L138 HydrophobicContact CG1-CB 4.07Å; I104-L138 HydrophobicContact CG1-CD1 4.37Å
105	E	95.8	Very high	94.7	Very high	94 Å²	94	75.9 Å²	75.9	44%	0.439	35%	0.352	S	S	.	.	H	α-helix	trans	-59.7	-42.7	179	-70.6	164.3	-172.4	0	0	112.5	Q101 R102 Q108 K109	Q101-E105 WeakPolarHBondContact CG-OE1 3.48Å; Q101-E105 PolarHBondContact NE2-OE1 2.87Å; Q101-E105 WeakPolarHBondContact O-CG 3.36Å; Q101-E105 PolarHBondContact O-N 3.47Å; R102-E105 PolarHBondContact O-N 3.4Å; E105-Q108 PolarHBondContact O-N 3.35Å; E105-K109 WeakPolarHBondContact O-CB 3.46Å; E105-K109 PolarHBondContact O-N 2.61Å
106	L	96.1	Very high	94.7	Very high	20 Å²	20	77.9 Å²	77.9	11%	0.105	37%	0.374	C	S	.	.	H	α-helix	trans	-71.4	-34.1	179.4	-67.2	165.6	0	0	0	112.1	R102 I104 Y110 I118 H121 L122	R102-L106 HydrophobicContact CB-CD1 4.37Å; R102-L106 WeakPolarHBondContact O-CB 3.49Å; R102-L106 VanDerWaalsContact O-CD1 3.25Å; R102-L106 WeakPolarHBondContact O-CD1 3.16Å; R102-L106 WeakPolarHBondContact O-CG 3.3Å; R102-L106 PolarHBondContact O-N 3.47Å; I104-L106 VanDerWaalsContact C-N 3.35Å; I104-L106 PolarHBondContact O-N 2.91Å; L106-Y110 HydrophobicContact CB-CD2 4.45Å; L106-Y110 HydrophobicContact CD2-CD2 4.09Å; L106-Y110 HydrophobicContact CD2-CE2 3.77Å; L106-Y110 WeakPolarHBondContact O-CB 3.43Å; L106-Y110 WeakPolarHBondContact O-CD2 3.36Å; L106-Y110 PolarHBondContact O-N 3.5Å; L106-I118 HydrophobicContact CB-CB 4.4Å; L106-I118 HydrophobicContact CB-CG1 4.12Å; L106-I118 HydrophobicContact CB-CG2 3.9Å; L106-I118 HydrophobicContact CD1-CG2 4.15Å; L106-H121 HydrophobicContact CD1-CB 3.56Å; L106-H121 HydrophobicContact CD2-CB 3.66Å; L106-H121 HydrophobicContact CG-CB 4.28Å; L106-L122 HydrophobicContact CD1-CD1 4.28Å; L106-L122 HydrophobicContact CD1-CD2 4.28Å; L106-L122 HydrophobicContact CD1-CG 3.97Å
107	V	96.1	Very high	94.7	Very high	6 Å²	6	77.5 Å²	77.5	4%	0.036	37%	0.371	C	S	.	.	H	α-helix	trans	-71.3	-37.1	171.9	171.3	0	0	0	0	111.1	V103 I104 G111 P112 W115 I118 W134	V103-V107 HydrophobicContact CG1-CG2 4.17Å; V103-V107 VanDerWaalsContact O-CB 3.31Å; V103-V107 WeakPolarHBondContact O-CB 3.26Å; V103-V107 WeakPolarHBondContact O-CG2 3.44Å; V103-V107 PolarHBondContact O-N 2.9Å; I104-V107 PolarHBondContact O-N 3.46Å; V107-G111 WeakPolarHBondContact O-CA 3.34Å; V107-G111 PolarHBondContact O-N 3.33Å; V107-P112 HydrophobicContact CG1-CB 3.92Å; V107-W115 HydrophobicContact CG2-CH2 3.64Å; V107-W115 HydrophobicContact CG2-CZ3 3.57Å; V107-I118 HydrophobicContact CG2-CD1 3.73Å; V107-W134 HydrophobicContact CB-CD2 4.29Å; V107-W134 HydrophobicContact CB-CE3 3.98Å; V107-W134 HydrophobicContact CB-CH2 4.28Å; V107-W134 HydrophobicContact CB-CZ3 3.99Å; V107-W134 HydrophobicContact CG1-CD2 3.9Å; V107-W134 HydrophobicContact CG1-CE3 4Å; V107-W134 HydrophobicContact CG1-CH2 3.76Å; V107-W134 HydrophobicContact CG1-CZ2 3.64Å; V107-W134 HydrophobicContact CG1-CZ3 3.94Å; V107-W134 HydrophobicContact CG2-CD2 4.03Å; V107-W134 HydrophobicContact CG2-CE3 3.91Å; V107-W134 HydrophobicContact CG2-CG 4.39Å; V107-W134 HydrophobicContact CG2-CZ3 4.42Å
108	Q	95.1	Very high	94.7	Very high	167 Å²	167	69.3 Å²	69.3	78%	0.78	34%	0.336	S	S	*	.	H	α-helix	trans	-64.2	-40.1	173.4	-172	177.4	3.2	0	0	111.6	I104 E105	I104-Q108 WeakPolarHBondContact O-CB 3.27Å; I104-Q108 PolarHBondContact O-N 2.59Å; E105-Q108 PolarHBondContact O-N 3.35Å
109	K	95.1	Very high	94.7	Very high	141 Å²	141	64.3 Å²	64.3	61%	0.613	32%	0.315	S	S	*	.	H	α-helix	trans	-76.4	-41.8	179.3	-173.8	-178.5	178.7	-165.3	0	114	E105	E105-K109 WeakPolarHBondContact O-CB 3.46Å; E105-K109 PolarHBondContact O-N 2.61Å
110	Y	94.1	Very high	94.5	Very high	46 Å²	46	72.8 Å²	72.8	18%	0.18	35%	0.351	C	S	.	.	H	α-helix	trans	-108.1	-9.7	-171.9	-63.1	-70.1	0	0	0	114.5	L106 R114 V117 H121	L106-Y110 HydrophobicContact CB-CD2 4.45Å; L106-Y110 HydrophobicContact CD2-CD2 4.09Å; L106-Y110 HydrophobicContact CD2-CE2 3.77Å; L106-Y110 WeakPolarHBondContact O-CB 3.43Å; L106-Y110 WeakPolarHBondContact O-CD2 3.36Å; L106-Y110 PolarHBondContact O-N 3.5Å; Y110-R114 VanDerWaalsContact O-CZ 3.28Å; Y110-R114 PolarHBondContact O-NE 3.25Å; Y110-R114 PolarHBondContact O-NH2 2.92Å; Y110-V117 HydrophobicContact CD1-CG1 4.37Å; Y110-V117 HydrophobicContact CE1-CG1 4.36Å; Y110-H121 AromaticContact CE2-CD2 3.9Å; Y110-H121 AromaticContact CE2-NE2 3.75Å; Y110-H121 AromaticContact CZ-NE2 3.82Å; Y110-H121 PolarHBondContact OH-NE2 2.87Å
111	G	93.4	Very high	94.3	Very high	24 Å²	24	76.1 Å²	76.1	25%	0.247	37%	0.366	C	S	.	.			trans	78.5	153.3	-176.9	0	0	0	0	0	113.6	V107 K113 R114	V107-G111 WeakPolarHBondContact O-CA 3.34Å; V107-G111 PolarHBondContact O-N 3.33Å; G111-K113 PolarHBondContact O-N 3Å; G111-R114 PolarHBondContact O-N 3.44Å
112	P	92.9	Very high	94.1	Very high	68 Å²	68	71.9 Å²	71.9	44%	0.442	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	33.9	-175.1	31.8	-37.4	0	0	0	114.5	V107 W115	V107-P112 HydrophobicContact CG1-CB 3.92Å; P112-W115 VanDerWaalsContact C-CZ2 3.41Å; P112-W115 VanDerWaalsContact CA-CZ2 3.49Å; P112-W115 HydrophobicContact CB-CH2 4.13Å; P112-W115 HydrophobicContact CB-CZ2 3.75Å; P112-W115 VanDerWaalsContact O-CE2 3.27Å; P112-W115 WeakPolarHBondContact O-CZ2 3.36Å; P112-W115 PolarHBondContact O-NE1 3.49Å
113	K	93.1	Very high	93.7	Very high	189 Å²	189	76.5 Å²	76.5	82%	0.822	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	-35.6	176.3	-62.5	-175	-179.6	-178.6	0	112.3	G111 W115	G111-K113 PolarHBondContact O-N 3Å; K113-W115 VanDerWaalsContact C-N 3.29Å; K113-W115 VanDerWaalsContact O-CD1 3.24Å; K113-W115 PolarHBondContact O-N 3.19Å
114	R	93.7	Very high	93.3	Very high	137 Å²	137	77.4 Å²	77.4	52%	0.517	38%	0.379	S	S	.	.			trans	-88.1	50.7	-169.8	-69.8	-174.3	-77.3	-165.3	-6.2	113.9	Y110 G111 S116 V117 I118	Y110-R114 VanDerWaalsContact O-CZ 3.28Å; Y110-R114 PolarHBondContact O-NE 3.25Å; Y110-R114 PolarHBondContact O-NH2 2.92Å; G111-R114 PolarHBondContact O-N 3.44Å; R114-S116 VanDerWaalsContact C-N 3.31Å; R114-S116 PolarHBondContact O-N 3.17Å; R114-V117 HydrophobicContact CB-CB 4.24Å; R114-V117 HydrophobicContact CB-CG2 4.19Å; R114-V117 WeakPolarHBondContact O-CB 3.48Å; R114-V117 PolarHBondContact O-N 3.35Å; R114-I118 PolarHBondContact O-N 3.44Å; R114-I118 VanDerWaalsContact O-N 3.07Å
115	W	95.4	Very high	93.2	Very high	29 Å²	29	75.2 Å²	75.2	11%	0.11	37%	0.367	C	S	.	.	H	α-helix	trans	-56.8	-35.7	-172.6	-60.7	107.9	0	0	0	115	V107 P112 K113 V117 I118 A119 G127 C130 R131 W134 H135	V107-W115 HydrophobicContact CG2-CH2 3.64Å; V107-W115 HydrophobicContact CG2-CZ3 3.57Å; P112-W115 VanDerWaalsContact C-CZ2 3.41Å; P112-W115 VanDerWaalsContact CA-CZ2 3.49Å; P112-W115 HydrophobicContact CB-CH2 4.13Å; P112-W115 HydrophobicContact CB-CZ2 3.75Å; P112-W115 VanDerWaalsContact O-CE2 3.27Å; P112-W115 WeakPolarHBondContact O-CZ2 3.36Å; P112-W115 PolarHBondContact O-NE1 3.49Å; K113-W115 VanDerWaalsContact C-N 3.29Å; K113-W115 VanDerWaalsContact O-CD1 3.24Å; K113-W115 PolarHBondContact O-N 3.19Å; W115-V117 VanDerWaalsContact C-N 3.33Å; W115-V117 PolarHBondContact O-N 3.43Å; W115-I118 HydrophobicContact CD2-CD1 4.37Å; W115-I118 HydrophobicContact CE3-CD1 3.75Å; W115-I118 HydrophobicContact CZ3-CD1 3.87Å; W115-A119 WeakPolarHBondContact O-CB 3.28Å; W115-A119 PolarHBondContact O-N 2.99Å; W115-G127 WeakPolarHBondContact O-CA 3.35Å; W115-C130 HydrophobicContact CE3-CB 4.13Å; W115-R131 HydrophobicContact CD2-CB 3.6Å; W115-R131 HydrophobicContact CD2-CG 4.02Å; W115-R131 HydrophobicContact CE3-CB 3.96Å; W115-R131 HydrophobicContact CG-CB 3.82Å; W115-R131 HydrophobicContact CG-CG 4.25Å; W115-R131 HydrophobicContact CZ2-CB 4.48Å; W115-R131 HydrophobicContact CZ2-CG 4.23Å; W115-W134 HydrophobicContact CH2-CB 3.5Å; W115-W134 AromaticContact CH2-CD1 3.62Å; W115-W134 HydrophobicContact CH2-CD2 4.37Å; W115-W134 AromaticContact CH2-CG 3.52Å; W115-W134 HydrophobicContact CH2-CG 3.52Å; W115-W134 HydrophobicContact CZ2-CG 4.41Å; W115-W134 HydrophobicContact CZ3-CB 3.84Å; W115-W134 HydrophobicContact CZ3-CG 4.27Å; W115-H135 AromaticContact CZ2-CE1 3.55Å
116	S	93.6	Very high	93	Very high	94 Å²	94	73.3 Å²	73.3	66%	0.657	36%	0.359	S	S	*	.	H	α-helix	trans	-69.8	-27.3	175.7	-50.5	0	0	0	0	113.3	R114	R114-S116 VanDerWaalsContact C-N 3.31Å; R114-S116 PolarHBondContact O-N 3.17Å
117	V	93.6	Very high	92.9	Very high	55 Å²	55	72.8 Å²	72.8	33%	0.333	36%	0.358	S	S	.	.	H	α-helix	trans	-78.6	-44.2	175	-177.1	0	0	0	0	110	Y110 R114 W115 A119 K120 H121	Y110-V117 HydrophobicContact CD1-CG1 4.37Å; Y110-V117 HydrophobicContact CE1-CG1 4.36Å; R114-V117 HydrophobicContact CB-CB 4.24Å; R114-V117 HydrophobicContact CB-CG2 4.19Å; R114-V117 WeakPolarHBondContact O-CB 3.48Å; R114-V117 PolarHBondContact O-N 3.35Å; W115-V117 VanDerWaalsContact C-N 3.33Å; W115-V117 PolarHBondContact O-N 3.43Å; V117-A119 PolarHBondContact O-N 2.98Å; V117-K120 PolarHBondContact O-N 3.01Å; V117-K120 VanDerWaalsContact O-N 3.08Å; V117-H121 PolarHBondContact O-CD2 3.01Å
118	I	94.6	Very high	92.7	Very high	0 Å²	0	80.1 Å²	80.1	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-55.3	-42.7	174.6	-65.8	161.7	0	0	0	110.5	L106 V107 R114 W115 K120 H121 L122 C130	L106-I118 HydrophobicContact CB-CB 4.4Å; L106-I118 HydrophobicContact CB-CG1 4.12Å; L106-I118 HydrophobicContact CB-CG2 3.9Å; L106-I118 HydrophobicContact CD1-CG2 4.15Å; V107-I118 HydrophobicContact CG2-CD1 3.73Å; R114-I118 PolarHBondContact O-N 3.44Å; R114-I118 VanDerWaalsContact O-N 3.07Å; W115-I118 HydrophobicContact CD2-CD1 4.37Å; W115-I118 HydrophobicContact CE3-CD1 3.75Å; W115-I118 HydrophobicContact CZ3-CD1 3.87Å; I118-K120 PolarHBondContact O-N 2.93Å; I118-H121 PolarHBondContact O-N 2.86Å; I118-L122 HydrophobicContact CG2-CD1 4Å; I118-C130 HydrophobicContact CG2-CB 4.3Å
119	A	93.8	Very high	92.6	Very high	16 Å²	16	74.9 Å²	74.9	13%	0.132	37%	0.365	C	S	.	.	H	α-helix	trans	-59.2	-39.5	175.7	0	0	0	0	0	114	W115 V117 H121 L122 R125	W115-A119 WeakPolarHBondContact O-CB 3.28Å; W115-A119 PolarHBondContact O-N 2.99Å; V117-A119 PolarHBondContact O-N 2.98Å; A119-H121 PolarHBondContact O-N 3.11Å; A119-H121 VanDerWaalsContact O-N 3.12Å; A119-L122 CarbonylContact O-C 3.6Å; A119-L122 PolarHBondContact O-N 2.83Å; A119-L122 VanDerWaalsContact O-O 3.12Å; A119-R125 WeakPolarHBondContact CB-O 3.34Å
120	K	91.9	Very high	92.6	Very high	186 Å²	186	68.2 Å²	68.2	81%	0.809	34%	0.336	S	S	*	.	H	α-helix	trans	-61.5	-22.1	179	-71.3	-176.4	178.3	-169.1	0	113.3	V117 I118	V117-K120 PolarHBondContact O-N 3.01Å; V117-K120 VanDerWaalsContact O-N 3.08Å; I118-K120 PolarHBondContact O-N 2.93Å
121	H	90.6	Very high	92.7	Very high	91 Å²	91	72 Å²	72	42%	0.421	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	0.2	175.5	-63	-71.6	0	0	0	113.7	R102 L106 Y110 V117 I118 A119	R102-H121 PolarHBondContact NH1-O 3.33Å; L106-H121 HydrophobicContact CD1-CB 3.56Å; L106-H121 HydrophobicContact CD2-CB 3.66Å; L106-H121 HydrophobicContact CG-CB 4.28Å; Y110-H121 AromaticContact CE2-CD2 3.9Å; Y110-H121 AromaticContact CE2-NE2 3.75Å; Y110-H121 AromaticContact CZ-NE2 3.82Å; Y110-H121 PolarHBondContact OH-NE2 2.87Å; V117-H121 PolarHBondContact O-CD2 3.01Å; I118-H121 PolarHBondContact O-N 2.86Å; A119-H121 PolarHBondContact O-N 3.11Å; A119-H121 VanDerWaalsContact O-N 3.12Å
122	L	90.8	Very high	92.8	Very high	5 Å²	5	75.5 Å²	75.5	3%	0.026	36%	0.36	C	S	.	.	S	Bend	trans	-120.2	99.4	-178.5	-66.9	165.4	0	0	0	110	R102 V103 L106 I118 A119 G124 R125 C130	R102-L122 HydrophobicContact CB-CD2 3.69Å; V103-L122 HydrophobicContact CG2-CD1 3.55Å; V103-L122 HydrophobicContact CG2-CD2 4.46Å; L106-L122 HydrophobicContact CD1-CD1 4.28Å; L106-L122 HydrophobicContact CD1-CD2 4.28Å; L106-L122 HydrophobicContact CD1-CG 3.97Å; I118-L122 HydrophobicContact CG2-CD1 4Å; A119-L122 CarbonylContact O-C 3.6Å; A119-L122 PolarHBondContact O-N 2.83Å; A119-L122 VanDerWaalsContact O-O 3.12Å; L122-G124 PolarHBondContact O-N 3.37Å; L122-G124 VanDerWaalsContact O-N 3.07Å; L122-R125 HydrophobicContact CB-CB 4.01Å; L122-R125 PolarHBondContact O-N 2.9Å; L122-R125 VanDerWaalsContact O-N 3.13Å; L122-C130 VanDerWaalsContact CD1-SG 3.54Å
123	K	87.4	Confident	92.9	Very high	184 Å²	184	74.9 Å²	74.9	80%	0.8	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	117.9	176.9	-62.1	-167.6	176.4	-167.1	0	110.5	I91 R125	I91-K123 VanDerWaalsContact CD1-O 3.25Å; I91-K123 WeakPolarHBondContact CD1-O 3.43Å; K123-R125 VanDerWaalsContact C-N 3.34Å; K123-R125 PolarHBondContact O-N 3.21Å
124	G	87	Confident	93	Very high	19 Å²	19	67.1 Å²	67.1	20%	0.196	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	9.4	174.7	0	0	0	0	0	117.7	E89 L90 I91 L122	E89-G124 WeakPolarHBondContact O-CA 3.42Å; L90-G124 WeakPolarHBondContact CA-O 3.44Å; I91-G124 PolarHBondContact N-O 3.01Å; L122-G124 PolarHBondContact O-N 3.37Å; L122-G124 VanDerWaalsContact O-N 3.07Å
125	R	92.6	Very high	93	Very high	9 Å²	9	63.6 Å²	63.6	3%	0.034	30%	0.304	C	S	.	.			trans	-111	129.7	176.6	-61.5	-62.5	-169.1	164.9	13	111.8	I91 G93 P94 W95 E99 A119 L122 K123	I91-R125 VanDerWaalsContact CG2-CZ 3.46Å; I91-R125 PolarHBondContact O-NH1 3.2Å; G93-R125 PolarHBondContact O-NH1 3.49Å; G93-R125 PolarHBondContact O-NH2 3.45Å; P94-R125 PolarHBondContact O-NH2 2.91Å; W95-R125 HydrophobicContact CH2-CB 4.3Å; W95-R125 HydrophobicContact CH2-CG 4.17Å; W95-R125 HydrophobicContact CZ3-CG 4.37Å; E99-R125 VanDerWaalsContact CD-NH2 3.31Å; E99-R125 IonicContact OE1-CZ 2.69Å; E99-R125 IonicContact OE1-NE 3.44Å; E99-R125 PolarHBondContact OE1-NE 3Å; E99-R125 IonicContact OE1-NH2 3.53Å; E99-R125 PolarHBondContact OE1-NH2 2.79Å; E99-R125 VanDerWaalsContact OE1-NH2 3.15Å; E99-R125 IonicContact OE2-CZ 2.74Å; E99-R125 IonicContact OE2-NE 2.72Å; E99-R125 IonicContact OE2-NH2 3.31Å; E99-R125 PolarHBondContact OE2-NH2 3.17Å; A119-R125 WeakPolarHBondContact CB-O 3.34Å; L122-R125 HydrophobicContact CB-CB 4.01Å; L122-R125 PolarHBondContact O-N 2.9Å; L122-R125 VanDerWaalsContact O-N 3.13Å; K123-R125 VanDerWaalsContact C-N 3.34Å; K123-R125 PolarHBondContact O-N 3.21Å
126	I	92.4	Very high	92.9	Very high	54 Å²	54	63.2 Å²	63.2	28%	0.277	30%	0.304	S	S	.	.			trans	-85.3	142.9	-177.6	-56	175.2	0	0	0	109.9	K84 L90 K128 Q129 C130	K84-I126 WeakPolarHBondContact O-CD1 3.22Å; L90-I126 HydrophobicContact CD1-CD1 4.33Å; L90-I126 HydrophobicContact CD2-CD1 3.95Å; L90-I126 HydrophobicContact CD2-CG1 3.81Å; I126-K128 HydrophobicContact CG2-CB 4.5Å; I126-K128 PolarHBondContact O-N 3.01Å; I126-Q129 HydrophobicContact CB-CG 4.37Å; I126-Q129 WeakPolarHBondContact O-CA 3.31Å; I126-Q129 WeakPolarHBondContact O-CB 3.4Å; I126-Q129 PolarHBondContact O-N 3.36Å; I126-C130 PolarHBondContact O-N 2.96Å; I126-C130 VanDerWaalsContact O-N 3.1Å; I126-C130 PolarHBondContact O-SG 3.24Å; I126-C130 VanDerWaalsContact O-SG 3.4Å
127	G	93.6	Very high	92.8	Very high	9 Å²	9	62.7 Å²	62.7	9%	0.093	29%	0.291	C	S	.	.	H	α-helix	trans	-53.7	-30.1	-178.3	0	0	0	0	0	115.1	W115 C130 R131	W115-G127 WeakPolarHBondContact O-CA 3.35Å; G127-C130 PolarHBondContact O-N 3.48Å; G127-R131 WeakPolarHBondContact O-CB 3.22Å; G127-R131 PolarHBondContact O-N 2.88Å
128	K	92.4	Very high	92.7	Very high	160 Å²	160	61 Å²	61	70%	0.696	28%	0.28	S	S	*	.	H	α-helix	trans	-60.7	-47.4	170.6	-177.9	-179.4	174.5	-176.5	0	111.8	I126 C130 R131 E132	I126-K128 HydrophobicContact CG2-CB 4.5Å; I126-K128 PolarHBondContact O-N 3.01Å; K128-C130 VanDerWaalsContact C-N 3.34Å; K128-R131 PolarHBondContact O-N 3.19Å; K128-E132 WeakPolarHBondContact O-CB 3.39Å; K128-E132 PolarHBondContact O-N 3.33Å
129	Q	93.8	Very high	92.5	Very high	57 Å²	57	62.1 Å²	62.1	27%	0.266	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-41.6	177.6	-56.6	171.7	-61.3	0	0	110.3	W95 I126 E132 R133	W95-Q129 HydrophobicContact CZ2-CB 3.91Å; I126-Q129 HydrophobicContact CB-CG 4.37Å; I126-Q129 WeakPolarHBondContact O-CA 3.31Å; I126-Q129 WeakPolarHBondContact O-CB 3.4Å; I126-Q129 PolarHBondContact O-N 3.36Å; Q129-E132 PolarHBondContact O-N 2.85Å; Q129-R133 VanDerWaalsContact O-CB 3.27Å; Q129-R133 WeakPolarHBondContact O-CB 3.43Å; Q129-R133 PolarHBondContact O-N 3.46Å
130	C	94.9	Very high	92.4	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-45.7	176	-53.8	0	0	0	0	111.8	W115 I118 L122 I126 G127 K128 W134	W115-C130 HydrophobicContact CE3-CB 4.13Å; I118-C130 HydrophobicContact CG2-CB 4.3Å; L122-C130 VanDerWaalsContact CD1-SG 3.54Å; I126-C130 PolarHBondContact O-N 2.96Å; I126-C130 VanDerWaalsContact O-N 3.1Å; I126-C130 PolarHBondContact O-SG 3.24Å; I126-C130 VanDerWaalsContact O-SG 3.4Å; G127-C130 PolarHBondContact O-N 3.48Å; K128-C130 VanDerWaalsContact C-N 3.34Å; C130-W134 WeakPolarHBondContact O-CB 3.27Å; C130-W134 PolarHBondContact O-N 2.9Å
131	R	95.4	Very high	92.2	Very high	127 Å²	127	65 Å²	65	48%	0.479	31%	0.309	S	S	.	.	H	α-helix	trans	-58.8	-50.5	175	-176.8	-175.6	176.3	-80.4	-4.7	111	W115 G127 K128 W134 H135	W115-R131 HydrophobicContact CD2-CB 3.6Å; W115-R131 HydrophobicContact CD2-CG 4.02Å; W115-R131 HydrophobicContact CE3-CB 3.96Å; W115-R131 HydrophobicContact CG-CB 3.82Å; W115-R131 HydrophobicContact CG-CG 4.25Å; W115-R131 HydrophobicContact CZ2-CB 4.48Å; W115-R131 HydrophobicContact CZ2-CG 4.23Å; G127-R131 WeakPolarHBondContact O-CB 3.22Å; G127-R131 PolarHBondContact O-N 2.88Å; K128-R131 PolarHBondContact O-N 3.19Å; R131-W134 PolarHBondContact O-N 3.09Å; R131-H135 PolarHBondContact O-N 2.89Å; R131-H135 PolarHBondContact O-ND1 3.21Å
132	E	94.7	Very high	92.2	Very high	97 Å²	97	61.6 Å²	61.6	45%	0.453	30%	0.295	S	S	.	.	H	α-helix	trans	-63.1	-43.4	-177.6	-172.7	173.6	170.8	0	0	111.7	K128 Q129 N136	K128-E132 WeakPolarHBondContact O-CB 3.39Å; K128-E132 PolarHBondContact O-N 3.33Å; Q129-E132 PolarHBondContact O-N 2.85Å; E132-N136 VanDerWaalsContact O-CB 3.28Å; E132-N136 WeakPolarHBondContact O-CB 3.4Å; E132-N136 PolarHBondContact O-N 3.25Å; E132-N136 VanDerWaalsContact O-N 3.08Å; E132-N136 PolarHBondContact O-ND2 3.21Å
133	R	95.2	Very high	92.1	Very high	54 Å²	54	66.1 Å²	66.1	20%	0.204	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-44	175.5	-173.7	62.1	173	177.3	-1.5	112	W95 D100 Q129 H137 L138	W95-R133 HydrophobicContact CD2-CB 4.2Å; W95-R133 HydrophobicContact CD2-CG 3.62Å; W95-R133 HydrophobicContact CE3-CG 3.96Å; W95-R133 HydrophobicContact CG-CG 4.02Å; W95-R133 HydrophobicContact CH2-CB 4.14Å; W95-R133 HydrophobicContact CH2-CG 4.33Å; W95-R133 HydrophobicContact CZ2-CB 3.63Å; W95-R133 HydrophobicContact CZ2-CG 3.99Å; W95-R133 HydrophobicContact CZ3-CG 4.32Å; D100-R133 IonicContact OD1-CZ 3.39Å; D100-R133 IonicContact OD1-NE 2.73Å; D100-R133 PolarHBondContact OD1-NE 3.17Å; D100-R133 IonicContact OD1-NH2 3.19Å; D100-R133 PolarHBondContact OD1-NH2 3Å; D100-R133 IonicContact OD2-CZ 2.68Å; D100-R133 IonicContact OD2-NE 2.77Å; D100-R133 IonicContact OD2-NH2 3.74Å; D100-R133 PolarHBondContact OD2-NH2 3.23Å; Q129-R133 VanDerWaalsContact O-CB 3.27Å; Q129-R133 WeakPolarHBondContact O-CB 3.43Å; Q129-R133 PolarHBondContact O-N 3.46Å; R133-H137 PolarHBondContact NH1-CD2 3.43Å; R133-H137 WeakPolarHBondContact O-CB 3.31Å; R133-H137 PolarHBondContact O-N 3.49Å; R133-L138 HydrophobicContact CG-CD1 3.77Å; R133-L138 HydrophobicContact CG-CG 4.08Å; R133-L138 PolarHBondContact O-N 3.47Å
134	W	95.3	Very high	92.2	Very high	26 Å²	26	64.8 Å²	64.8	10%	0.098	31%	0.309	C	S	.	.	I	π-helix	trans	-58.5	-59.4	176.1	175.9	-98	0	0	0	111.8	V103 I104 V107 W115 C130 R131 N136 H137 L138 N139	V103-W134 HydrophobicContact CG1-CB 4.38Å; V103-W134 HydrophobicContact CG1-CE3 4.33Å; I104-W134 HydrophobicContact CB-CZ3 4.4Å; I104-W134 HydrophobicContact CG1-CZ3 4Å; V107-W134 HydrophobicContact CB-CD2 4.29Å; V107-W134 HydrophobicContact CB-CE3 3.98Å; V107-W134 HydrophobicContact CB-CH2 4.28Å; V107-W134 HydrophobicContact CB-CZ3 3.99Å; V107-W134 HydrophobicContact CG1-CD2 3.9Å; V107-W134 HydrophobicContact CG1-CE3 4Å; V107-W134 HydrophobicContact CG1-CH2 3.76Å; V107-W134 HydrophobicContact CG1-CZ2 3.64Å; V107-W134 HydrophobicContact CG1-CZ3 3.94Å; V107-W134 HydrophobicContact CG2-CD2 4.03Å; V107-W134 HydrophobicContact CG2-CE3 3.91Å; V107-W134 HydrophobicContact CG2-CG 4.39Å; V107-W134 HydrophobicContact CG2-CZ3 4.42Å; W115-W134 HydrophobicContact CH2-CB 3.5Å; W115-W134 AromaticContact CH2-CD1 3.62Å; W115-W134 HydrophobicContact CH2-CD2 4.37Å; W115-W134 AromaticContact CH2-CG 3.52Å; W115-W134 HydrophobicContact CH2-CG 3.52Å; W115-W134 HydrophobicContact CZ2-CG 4.41Å; W115-W134 HydrophobicContact CZ3-CB 3.84Å; W115-W134 HydrophobicContact CZ3-CG 4.27Å; C130-W134 WeakPolarHBondContact O-CB 3.27Å; C130-W134 PolarHBondContact O-N 2.9Å; R131-W134 PolarHBondContact O-N 3.09Å; W134-N136 VanDerWaalsContact C-N 3.29Å; W134-N136 PolarHBondContact O-N 3.35Å; W134-H137 PolarHBondContact O-N 3.29Å; W134-L138 HydrophobicContact CE3-CB 3.77Å; W134-L138 HydrophobicContact CZ3-CB 4.2Å; W134-L138 PolarHBondContact O-N 3.43Å; W134-L138 VanDerWaalsContact O-N 3.1Å; W134-N139 HydrophobicContact CD2-CB 4.32Å; W134-N139 HydrophobicContact CZ2-CB 4Å; W134-N139 WeakPolarHBondContact O-CB 3.45Å; W134-N139 PolarHBondContact O-N 2.99Å
135	H	93.4	Very high	92.4	Very high	64 Å²	64	68.1 Å²	68.1	30%	0.296	33%	0.325	S	S	.	.	I	π-helix	trans	-64.8	-32	-172.9	-69.6	76.1	0	0	0	112.6	W115 R131 V142 T177	W115-H135 AromaticContact CZ2-CE1 3.55Å; R131-H135 PolarHBondContact O-N 2.89Å; R131-H135 PolarHBondContact O-ND1 3.21Å; H135-V142 WeakPolarHBondContact O-CG2 3.44Å; H135-T177 WeakPolarHBondContact O-CG2 3.47Å
136	N	93.6	Very high	92.4	Very high	20 Å²	20	72.4 Å²	72.4	11%	0.107	36%	0.356	C	S	.	.	I	π-helix	trans	-91.3	-22.2	-177.7	-72.6	-41.9	0	0	0	115.4	E132 W134 T177 N179	E132-N136 VanDerWaalsContact O-CB 3.28Å; E132-N136 WeakPolarHBondContact O-CB 3.4Å; E132-N136 PolarHBondContact O-N 3.25Å; E132-N136 VanDerWaalsContact O-N 3.08Å; E132-N136 PolarHBondContact O-ND2 3.21Å; W134-N136 VanDerWaalsContact C-N 3.29Å; W134-N136 PolarHBondContact O-N 3.35Å; N136-T177 PolarHBondContact OD1-OG1 2.98Å; N136-N179 VanDerWaalsContact OD1-CB 3.22Å; N136-N179 WeakPolarHBondContact OD1-CB 3.18Å
137	H	91.3	Very high	92.5	Very high	83 Å²	83	73.1 Å²	73.1	38%	0.384	36%	0.356	S	S	.	.	I	π-helix	trans	-142.4	-28.9	-167.3	-58.2	-68	0	0	0	116.2	R133 W134 K144	R133-H137 PolarHBondContact NH1-CD2 3.43Å; R133-H137 WeakPolarHBondContact O-CB 3.31Å; R133-H137 PolarHBondContact O-N 3.49Å; W134-H137 PolarHBondContact O-N 3.29Å; H137-K144 WeakPolarHBondContact O-CE 3.43Å; H137-K144 PolarHBondContact O-NZ 2.88Å
138	L	91.9	Very high	92.5	Very high	20 Å²	20	75.6 Å²	75.6	11%	0.105	37%	0.369	C	S	.	.	I	π-helix	trans	-107.2	-26.5	-170.7	-51.6	179.1	0	0	0	114.3	D100 V103 I104 R133 W134 P140	D100-L138 HydrophobicContact CB-CD1 4.08Å; D100-L138 HydrophobicContact CB-CD2 3.73Å; V103-L138 HydrophobicContact CB-CD1 3.74Å; V103-L138 HydrophobicContact CG1-CD1 3.69Å; V103-L138 HydrophobicContact CG2-CD1 4.5Å; I104-L138 HydrophobicContact CD1-CB 4.45Å; I104-L138 HydrophobicContact CD1-CD2 4.44Å; I104-L138 HydrophobicContact CG1-CB 4.07Å; I104-L138 HydrophobicContact CG1-CD1 4.37Å; R133-L138 HydrophobicContact CG-CD1 3.77Å; R133-L138 HydrophobicContact CG-CG 4.08Å; R133-L138 PolarHBondContact O-N 3.47Å; W134-L138 HydrophobicContact CE3-CB 3.77Å; W134-L138 HydrophobicContact CZ3-CB 4.2Å; W134-L138 PolarHBondContact O-N 3.43Å; W134-L138 VanDerWaalsContact O-N 3.1Å; L138-P140 WeakPolarHBondContact O-CD 3.42Å
139	N	91.2	Very high	92.5	Very high	24 Å²	24	73.1 Å²	73.1	13%	0.128	36%	0.36	C	S	.	.	S	Bend	trans	-57.3	123.3	172.8	-178	4.6	0	0	0	110.1	W134 E141 V142	W134-N139 HydrophobicContact CD2-CB 4.32Å; W134-N139 HydrophobicContact CZ2-CB 4Å; W134-N139 WeakPolarHBondContact O-CB 3.45Å; W134-N139 PolarHBondContact O-N 2.99Å; N139-E141 PolarHBondContact ND2-OE2 2.99Å; N139-E141 PolarHBondContact O-N 2.87Å; N139-E141 VanDerWaalsContact O-N 3.13Å; N139-E141 WeakPolarHBondContact OD1-CG 3.44Å; N139-E141 PolarHBondContact OD1-N 3.01Å; N139-E141 PolarHBondContact OD1-OE2 3.13Å; N139-V142 HydrophobicContact CB-CG2 4.05Å; N139-V142 WeakPolarHBondContact O-CB 3.48Å; N139-V142 PolarHBondContact O-N 3.3Å; N139-V142 VanDerWaalsContact O-N 3.07Å
140	P	90.3	Very high	92.5	Very high	115 Å²	115	75.1 Å²	75.1	75%	0.747	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.5	178.6	-28.1	36.7	0	0	0	114.9	L138 V142	L138-P140 WeakPolarHBondContact O-CD 3.42Å; P140-V142 PolarHBondContact O-N 2.92Å
141	E	88.8	Confident	92.5	Very high	147 Å²	147	76 Å²	76	69%	0.687	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.7	177.4	-59.2	171.1	149.5	0	0	113.4	N139 K143 G175	N139-E141 PolarHBondContact ND2-OE2 2.99Å; N139-E141 PolarHBondContact O-N 2.87Å; N139-E141 VanDerWaalsContact O-N 3.13Å; N139-E141 WeakPolarHBondContact OD1-CG 3.44Å; N139-E141 PolarHBondContact OD1-N 3.01Å; N139-E141 PolarHBondContact OD1-OE2 3.13Å; E141-K143 PolarHBondContact O-N 3.45Å; E141-G175 WeakPolarHBondContact O-CA 3.45Å
142	V	91.3	Very high	92.5	Very high	19 Å²	19	70.3 Å²	70.3	12%	0.115	35%	0.352	C	S	.	.	S	Bend	trans	-80.5	109.2	-176.4	-179.5	0	0	0	0	111.1	H135 N139 P140 K144 G175 T177	H135-V142 WeakPolarHBondContact O-CG2 3.44Å; N139-V142 HydrophobicContact CB-CG2 4.05Å; N139-V142 WeakPolarHBondContact O-CB 3.48Å; N139-V142 PolarHBondContact O-N 3.3Å; N139-V142 VanDerWaalsContact O-N 3.07Å; P140-V142 PolarHBondContact O-N 2.92Å; V142-K144 PolarHBondContact O-N 3.12Å; V142-G175 WeakPolarHBondContact CA-O 3.41Å; V142-T177 HydrophobicContact CG1-CG2 4.18Å; V142-T177 HydrophobicContact CG2-CG2 3.91Å
143	K	87.3	Confident	92.5	Very high	100 Å²	100	69.9 Å²	69.9	44%	0.435	35%	0.347	S	S	.	.			trans	-65.4	116.4	176.1	-72.8	175.9	176.6	168.5	0	111.4	E141 P174 G175 R176	E141-K143 PolarHBondContact O-N 3.45Å; K143-P174 WeakPolarHBondContact CD-O 3.37Å; K143-P174 WeakPolarHBondContact CE-O 3.34Å; K143-P174 PolarHBondContact NZ-O 3.07Å; K143-G175 PolarHBondContact N-O 3.12Å; K143-R176 PolarHBondContact O-NH1 3.31Å
144	K	89.9	Confident	92.5	Very high	157 Å²	157	70.4 Å²	70.4	68%	0.683	35%	0.353	S	S	*	.			trans	-98.6	11.5	177.6	-67.3	160	-173.4	170.3	0	113.1	H137 V142	H137-K144 WeakPolarHBondContact O-CE 3.43Å; H137-K144 PolarHBondContact O-NZ 2.88Å; V142-K144 PolarHBondContact O-N 3.12Å
145	T	90.3	Very high	92.6	Very high	89 Å²	89	69.2 Å²	69.2	55%	0.546	35%	0.348	S	S	.	.	S	Bend	trans	-67.5	160.1	173.4	47.3	0	0	0	0	111.5	R176	T145-R176 PolarHBondContact O-NH1 2.89Å; T145-R176 PolarHBondContact O-NH2 3.48Å; T145-R176 PolarHBondContact OG1-NH2 3.35Å
146	S	92.6	Very high	92.6	Very high	98 Å²	98	68.9 Å²	68.9	69%	0.685	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-52.7	153.7	162.9	46.7	0	0	0	0	111.1	R176	S146-R176 PolarHBondContact O-NH2 2.95Å
147	W	94.4	Very high	92.7	Very high	70 Å²	70	73.8 Å²	73.8	27%	0.265	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-68.4	143.6	169.6	-64.4	99.7	0	0	0	110.2	E151 I155 R176 A180 I181 H184	W147-E151 WeakPolarHBondContact CA-OE2 3.33Å; W147-E151 HydrophobicContact CE3-CB 4.09Å; W147-I155 HydrophobicContact CE3-CD1 4.08Å; W147-I155 HydrophobicContact CH2-CD1 4.35Å; W147-I155 HydrophobicContact CZ3-CD1 3.73Å; W147-R176 HydrophobicContact CH2-CB 4.14Å; W147-R176 HydrophobicContact CH2-CG 3.98Å; W147-R176 HydrophobicContact CZ3-CB 4.23Å; W147-R176 HydrophobicContact CZ3-CG 3.69Å; W147-A180 HydrophobicContact CH2-CB 4.2Å; W147-A180 HydrophobicContact CZ2-CB 4.01Å; W147-A180 WeakPolarHBondContact CZ2-O 3.33Å; W147-I181 HydrophobicContact CH2-CG1 3.87Å; W147-I181 HydrophobicContact CZ3-CG1 4.34Å; W147-H184 AromaticContact CD1-CD2 3.98Å; W147-H184 AromaticContact CD1-CE1 3.53Å; W147-H184 AromaticContact CD1-CG 3.67Å; W147-H184 AromaticContact CD1-ND1 3.4Å; W147-H184 AromaticContact CD1-NE2 3.89Å; W147-H184 HydrophobicContact CD2-CB 4.31Å; W147-H184 AromaticContact CD2-CD2 3.58Å; W147-H184 AromaticContact CD2-CG 3.84Å; W147-H184 AromaticContact CD2-NE2 3.89Å; W147-H184 AromaticContact CE2-CD2 3.77Å; W147-H184 AromaticContact CE2-CG 3.57Å; W147-H184 AromaticContact CE3-CD2 4Å; W147-H184 AromaticContact CG-CD2 3.75Å; W147-H184 AromaticContact CG-CE1 3.64Å; W147-H184 AromaticContact CG-CG 3.91Å; W147-H184 AromaticContact CG-ND1 3.88Å; W147-H184 AromaticContact CG-NE2 3.57Å; W147-H184 HydrophobicContact CH2-CB 4.42Å; W147-H184 HydrophobicContact CZ2-CB 3.64Å; W147-H184 AromaticContact NE1-CD2 3.99Å; W147-H184 AromaticContact NE1-CG 3.45Å; W147-H184 AromaticContact NE1-ND1 3.57Å
148	T	94.1	Very high	92.9	Very high	60 Å²	60	70.1 Å²	70.1	37%	0.368	35%	0.351	S	S	.	.			trans	-107.4	158.8	173.8	79.6	0	0	0	0	110.7	E150 E151 D152	T148-E150 WeakPolarHBondContact CB-OE2 3.43Å; T148-E150 PolarHBondContact O-N 3.11Å; T148-E150 PolarHBondContact OG1-OE2 3.11Å; T148-E151 PolarHBondContact N-OE2 2.92Å; T148-E151 WeakPolarHBondContact O-CB 3.33Å; T148-E151 PolarHBondContact O-N 2.67Å; T148-E151 VanDerWaalsContact O-N 3.09Å; T148-E151 PolarHBondContact OG1-N 2.71Å; T148-D152 PolarHBondContact O-N 2.85Å
149	E	92.2	Very high	93.1	Very high	108 Å²	108	70.8 Å²	70.8	51%	0.505	35%	0.354	S	S	.	.	H	α-helix	trans	-67.2	-24.8	-178.4	-57.4	-171.4	167.6	0	0	112.4	D152 R153	E149-D152 PolarHBondContact O-N 3.09Å; E149-R153 VanDerWaalsContact CB-NH1 3.26Å; E149-R153 WeakPolarHBondContact O-CB 3.27Å; E149-R153 VanDerWaalsContact O-CG 3.27Å; E149-R153 WeakPolarHBondContact O-CG 3.34Å; E149-R153 PolarHBondContact O-N 2.68Å; E149-R153 IonicContact OE2-NH1 2.73Å
150	E	94.1	Very high	93.2	Very high	100 Å²	100	77 Å²	77	47%	0.467	38%	0.38	S	S	.	.	H	α-helix	trans	-63.9	-44.4	171.6	-60.5	61.5	-129.9	0	0	110.5	T148 R153 I154	T148-E150 WeakPolarHBondContact CB-OE2 3.43Å; T148-E150 PolarHBondContact O-N 3.11Å; T148-E150 PolarHBondContact OG1-OE2 3.11Å; E150-R153 PolarHBondContact O-N 3.39Å; E150-R153 IonicContact OE1-CZ 3.37Å; E150-R153 IonicContact OE1-NH2 3.15Å; E150-R153 PolarHBondContact OE1-NH2 2.73Å; E150-I154 WeakPolarHBondContact O-CD1 3.05Å; E150-I154 VanDerWaalsContact O-CG1 3.27Å; E150-I154 WeakPolarHBondContact O-CG1 3.37Å; E150-I154 PolarHBondContact O-N 2.88Å
151	E	95.6	Very high	93.5	Very high	19 Å²	19	81.6 Å²	81.6	9%	0.089	38%	0.382	C	S	.	.	H	α-helix	trans	-65.6	-43.1	175	-64	176.5	125.1	0	0	110.7	W147 T148 R153 I154 I155 L173 R176	W147-E151 WeakPolarHBondContact CA-OE2 3.33Å; W147-E151 HydrophobicContact CE3-CB 4.09Å; T148-E151 PolarHBondContact N-OE2 2.92Å; T148-E151 WeakPolarHBondContact O-CB 3.33Å; T148-E151 PolarHBondContact O-N 2.67Å; T148-E151 VanDerWaalsContact O-N 3.09Å; T148-E151 PolarHBondContact OG1-N 2.71Å; E151-R153 PolarHBondContact O-N 3.38Å; E151-I154 PolarHBondContact O-N 3.3Å; E151-I155 VanDerWaalsContact O-CG1 3.23Å; E151-I155 WeakPolarHBondContact O-CG1 3.33Å; E151-I155 PolarHBondContact O-N 2.94Å; E151-L173 HydrophobicContact CB-CD2 3.91Å; E151-L173 HydrophobicContact CG-CD2 3.94Å; E151-R176 WeakPolarHBondContact OE1-CG 3.2Å; E151-R176 IonicContact OE1-CZ 2.67Å; E151-R176 IonicContact OE1-NE 2.67Å; E151-R176 PolarHBondContact OE1-NE 3.08Å; E151-R176 IonicContact OE1-NH2 2.95Å; E151-R176 PolarHBondContact OE1-NH2 2.9Å; E151-R176 IonicContact OE2-CZ 3.94Å; E151-R176 IonicContact OE2-NE 3.75Å; E151-R176 IonicContact OE2-NH2 3.78Å; E151-R176 PolarHBondContact OE2-NH2 3.39Å
152	D	94.9	Very high	93.8	Very high	6 Å²	6	76.9 Å²	76.9	3%	0.032	36%	0.362	C	S	.	.	H	α-helix	trans	-62.3	-41.1	175.6	-81.3	32.6	0	0	0	111.9	T148 E149 I154 I155 Y156 H184 M189 L199	T148-D152 PolarHBondContact O-N 2.85Å; E149-D152 PolarHBondContact O-N 3.09Å; D152-I154 PolarHBondContact O-N 2.67Å; D152-I155 PolarHBondContact O-N 3.14Å; D152-Y156 WeakPolarHBondContact O-CB 3.39Å; D152-Y156 PolarHBondContact O-N 3.15Å; D152-H184 IonicContact OD1-CD2 3.23Å; D152-H184 IonicContact OD1-CE1 3.55Å; D152-H184 IonicContact OD1-NE2 2.95Å; D152-H184 PolarHBondContact OD1-NE2 3.13Å; D152-H184 IonicContact OD2-CE1 2.68Å; D152-H184 IonicContact OD2-NE2 2.7Å; D152-H184 PolarHBondContact OD2-NE2 3.34Å; D152-M189 HydrophobicContact CB-CE 3.89Å; D152-M189 WeakPolarHBondContact O-CE 3.22Å; D152-L199 HydrophobicContact CB-CD1 4.37Å; D152-L199 HydrophobicContact CB-CD2 4.34Å; D152-L199 WeakPolarHBondContact O-CD1 3.33Å
153	R	94.8	Very high	94	Very high	89 Å²	89	77.4 Å²	77.4	34%	0.336	37%	0.37	S	S	.	.	H	α-helix	trans	-60.4	-44.2	172.8	-75.3	-173.8	-64.7	-90.7	4.3	111.6	E149 E150 E151 Q157 L199	E149-R153 VanDerWaalsContact CB-NH1 3.26Å; E149-R153 WeakPolarHBondContact O-CB 3.27Å; E149-R153 VanDerWaalsContact O-CG 3.27Å; E149-R153 WeakPolarHBondContact O-CG 3.34Å; E149-R153 PolarHBondContact O-N 2.68Å; E149-R153 IonicContact OE2-NH1 2.73Å; E150-R153 PolarHBondContact O-N 3.39Å; E150-R153 IonicContact OE1-CZ 3.37Å; E150-R153 IonicContact OE1-NH2 3.15Å; E150-R153 PolarHBondContact OE1-NH2 2.73Å; E151-R153 PolarHBondContact O-N 3.38Å; R153-Q157 WeakPolarHBondContact O-CB 3.42Å; R153-Q157 VanDerWaalsContact O-CG 3.31Å; R153-Q157 WeakPolarHBondContact O-CG 3.13Å; R153-Q157 PolarHBondContact O-N 2.77Å; R153-L199 HydrophobicContact CG-CD2 3.83Å
154	I	95.8	Very high	94.4	Very high	65 Å²	65	77.7 Å²	77.7	33%	0.333	38%	0.377	S	S	.	.	H	α-helix	trans	-64.1	-47	175.8	-68.3	162.7	0	0	0	110.9	E150 E151 D152 Y156 Q157 A158 L172 L173	E150-I154 WeakPolarHBondContact O-CD1 3.05Å; E150-I154 VanDerWaalsContact O-CG1 3.27Å; E150-I154 WeakPolarHBondContact O-CG1 3.37Å; E150-I154 PolarHBondContact O-N 2.88Å; E151-I154 PolarHBondContact O-N 3.3Å; D152-I154 PolarHBondContact O-N 2.67Å; I154-Y156 PolarHBondContact O-N 2.95Å; I154-Q157 PolarHBondContact O-N 3.34Å; I154-A158 WeakPolarHBondContact O-CB 3.45Å; I154-A158 PolarHBondContact O-N 2.78Å; I154-L172 HydrophobicContact CG2-CB 3.83Å; I154-L172 HydrophobicContact CG2-CD1 4.45Å; I154-L173 HydrophobicContact CB-CD2 3.94Å; I154-L173 HydrophobicContact CD1-CD2 4.09Å; I154-L173 HydrophobicContact CG2-CD1 4.24Å; I154-L173 HydrophobicContact CG2-CD2 3.7Å; I154-L173 HydrophobicContact CG2-CG 3.82Å
155	I	96.1	Very high	94.7	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60.5	-46.3	179.4	-65.8	165.4	0	0	0	110.5	W147 E151 D152 H159 I169 L173 I181 W185 M189	W147-I155 HydrophobicContact CE3-CD1 4.08Å; W147-I155 HydrophobicContact CH2-CD1 4.35Å; W147-I155 HydrophobicContact CZ3-CD1 3.73Å; E151-I155 VanDerWaalsContact O-CG1 3.23Å; E151-I155 WeakPolarHBondContact O-CG1 3.33Å; E151-I155 PolarHBondContact O-N 2.94Å; D152-I155 PolarHBondContact O-N 3.14Å; I155-H159 WeakPolarHBondContact O-CB 3.44Å; I155-H159 PolarHBondContact O-N 3.13Å; I155-I169 HydrophobicContact CG1-CG2 4.49Å; I155-L173 HydrophobicContact CD1-CD1 4.13Å; I155-L173 HydrophobicContact CG1-CD1 3.42Å; I155-L173 VanDerWaalsContact CG1-CD1 3.42Å; I155-I181 HydrophobicContact CD1-CG1 4.5Å; I155-I181 HydrophobicContact CD1-CG2 4.09Å; I155-I181 HydrophobicContact CG1-CG2 3.94Å; I155-I181 HydrophobicContact CG2-CG2 3.97Å; I155-W185 HydrophobicContact CG2-CE3 3.88Å; I155-W185 HydrophobicContact CG2-CZ3 4.45Å; I155-M189 HydrophobicContact CB-CE 3.95Å; I155-M189 HydrophobicContact CB-SD 3.82Å; I155-M189 HydrophobicContact CD1-SD 4.05Å; I155-M189 HydrophobicContact CG2-CE 3.99Å; I155-M189 HydrophobicContact CG2-SD 3.5Å; I155-M189 VanDerWaalsContact CG2-SD 3.5Å
156	Y	94.3	Very high	95	Very high	58 Å²	58	74.3 Å²	74.3	23%	0.227	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-48.5	-179.9	171.9	-109.4	0	0	0	112.3	D152 I154 A158 H159 K160 W185 V193 L199	D152-Y156 WeakPolarHBondContact O-CB 3.39Å; D152-Y156 PolarHBondContact O-N 3.15Å; I154-Y156 PolarHBondContact O-N 2.95Å; Y156-A158 VanDerWaalsContact C-N 3.34Å; Y156-A158 PolarHBondContact O-N 3.49Å; Y156-H159 PolarHBondContact O-N 3.06Å; Y156-K160 VanDerWaalsContact O-CB 3.29Å; Y156-K160 WeakPolarHBondContact O-CB 3.43Å; Y156-K160 PolarHBondContact O-N 3.33Å; Y156-W185 HydrophobicContact CD2-CH2 4.35Å; Y156-W185 HydrophobicContact CD2-CZ3 4.44Å; Y156-V193 HydrophobicContact CD2-CG1 3.79Å; Y156-V193 HydrophobicContact CD2-CG2 3.82Å; Y156-V193 HydrophobicContact CE2-CG1 3.47Å; Y156-V193 VanDerWaalsContact CE2-CG1 3.47Å; Y156-V193 HydrophobicContact CE2-CG2 4.28Å; Y156-L199 VanDerWaalsContact CB-CD1 3.43Å; Y156-L199 HydrophobicContact CD1-CB 4.37Å; Y156-L199 HydrophobicContact CD1-CD1 4.17Å; Y156-L199 HydrophobicContact CG-CD1 3.89Å
157	Q	95.1	Very high	95.2	Very high	122 Å²	122	72.4 Å²	72.4	57%	0.57	34%	0.34	S	S	*	.	H	α-helix	trans	-64.3	-39.8	178.5	-69.4	-178.9	20.1	0	0	112	R153 I154 R161	R153-Q157 WeakPolarHBondContact O-CB 3.42Å; R153-Q157 VanDerWaalsContact O-CG 3.31Å; R153-Q157 WeakPolarHBondContact O-CG 3.13Å; R153-Q157 PolarHBondContact O-N 2.77Å; I154-Q157 PolarHBondContact O-N 3.34Å; Q157-R161 WeakPolarHBondContact O-CG 3.43Å; Q157-R161 PolarHBondContact O-N 2.91Å
158	A	96.4	Very high	95.3	Very high	7 Å²	7	73 Å²	73	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-70.4	-40.6	177.8	0	0	0	0	0	111.9	I154 Y156 R161 L162 I169 L172	I154-A158 WeakPolarHBondContact O-CB 3.45Å; I154-A158 PolarHBondContact O-N 2.78Å; Y156-A158 VanDerWaalsContact C-N 3.34Å; Y156-A158 PolarHBondContact O-N 3.49Å; A158-R161 CarbonylContact O-C 3.59Å; A158-R161 PolarHBondContact O-N 3.38Å; A158-L162 WeakPolarHBondContact O-CA 3.48Å; A158-L162 WeakPolarHBondContact O-CB 3.35Å; A158-L162 WeakPolarHBondContact O-CG 3.19Å; A158-L162 PolarHBondContact O-N 3.46Å; A158-I169 HydrophobicContact CB-CB 4.4Å; A158-I169 HydrophobicContact CB-CD1 4.43Å; A158-I169 HydrophobicContact CB-CG1 3.92Å; A158-I169 HydrophobicContact CB-CG2 3.94Å; A158-L172 HydrophobicContact CB-CD1 3.66Å
159	H	95.6	Very high	95.4	Very high	33 Å²	33	70.1 Å²	70.1	15%	0.153	33%	0.328	C	S	.	.	H	α-helix	trans	-65	-42.3	174.5	-172.1	-87.9	0	0	0	111.6	I155 Y156 R161 L162 G163 N164 W166 I169 W185	I155-H159 WeakPolarHBondContact O-CB 3.44Å; I155-H159 PolarHBondContact O-N 3.13Å; Y156-H159 PolarHBondContact O-N 3.06Å; H159-R161 PolarHBondContact O-N 3.4Å; H159-L162 PolarHBondContact O-N 3.27Å; H159-G163 PolarHBondContact CD2-O 3.03Å; H159-G163 VanDerWaalsContact CD2-O 3.23Å; H159-G163 VanDerWaalsContact O-CA 3.25Å; H159-G163 WeakPolarHBondContact O-CA 3.48Å; H159-G163 PolarHBondContact O-N 2.8Å; H159-N164 PolarHBondContact NE2-OD1 3.5Å; H159-W166 AromaticContact CD2-CH2 3.4Å; H159-W166 WeakPolarHBondContact CD2-CH2 3.42Å; H159-W166 AromaticContact CD2-CZ3 3.73Å; H159-W166 AromaticContact NE2-CH2 3.7Å; H159-I169 HydrophobicContact CB-CD1 4.2Å; H159-W185 HydrophobicContact CB-CH2 4.22Å; H159-W185 HydrophobicContact CB-CZ3 4.13Å; H159-W185 AromaticContact CE1-CE2 3.85Å; H159-W185 AromaticContact CE1-CZ2 3.55Å; H159-W185 AromaticContact CG-CH2 3.92Å; H159-W185 AromaticContact CG-CZ2 3.91Å; H159-W185 AromaticContact ND1-CE2 3.99Å; H159-W185 AromaticContact ND1-CH2 3.6Å; H159-W185 AromaticContact ND1-CZ2 3.42Å; H159-W185 WeakPolarHBondContact ND1-CZ2 3.45Å; H159-W185 AromaticContact NE2-CE2 3.96Å; H159-W185 AromaticContact NE2-NE1 3.99Å
160	K	94.2	Very high	95.6	Very high	156 Å²	156	66 Å²	66	68%	0.678	31%	0.313	S	S	*	.	H	α-helix	trans	-58.8	-29.6	173.5	-172.8	172.9	-177	173.9	0	113.1	Y156	Y156-K160 VanDerWaalsContact O-CB 3.29Å; Y156-K160 WeakPolarHBondContact O-CB 3.43Å; Y156-K160 PolarHBondContact O-N 3.33Å
161	R	95.9	Very high	95.7	Very high	210 Å²	210	68 Å²	68	79%	0.792	32%	0.32	S	S	*	.	H	α-helix	trans	-95	-25.8	179	-68.3	175.6	70.3	179.2	2.9	114.6	Q157 A158 H159	Q157-R161 WeakPolarHBondContact O-CG 3.43Å; Q157-R161 PolarHBondContact O-N 2.91Å; A158-R161 CarbonylContact O-C 3.59Å; A158-R161 PolarHBondContact O-N 3.38Å; H159-R161 PolarHBondContact O-N 3.4Å
162	L	95.6	Very high	95.7	Very high	49 Å²	49	71.6 Å²	71.6	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-123.9	-9.7	-168.7	-55.3	176.8	0	0	0	114.3	A158 H159 R165 E168 I169	A158-L162 WeakPolarHBondContact O-CA 3.48Å; A158-L162 WeakPolarHBondContact O-CB 3.35Å; A158-L162 WeakPolarHBondContact O-CG 3.19Å; A158-L162 PolarHBondContact O-N 3.46Å; H159-L162 PolarHBondContact O-N 3.27Å; L162-R165 HydrophobicContact CB-CB 4.24Å; L162-R165 WeakPolarHBondContact O-CG 3.34Å; L162-R165 VanDerWaalsContact O-CZ 3.22Å; L162-R165 PolarHBondContact O-NE 3.21Å; L162-E168 HydrophobicContact CD1-CB 4.04Å; L162-I169 HydrophobicContact CD1-CG1 4.27Å
163	G	94.6	Very high	95.6	Very high	29 Å²	29	71.5 Å²	71.5	30%	0.299	34%	0.338	S	S	.	.	S	Bend	trans	58.1	-144.9	-170.1	0	0	0	0	0	112.2	H159 R165	H159-G163 PolarHBondContact CD2-O 3.03Å; H159-G163 VanDerWaalsContact CD2-O 3.23Å; H159-G163 VanDerWaalsContact O-CA 3.25Å; H159-G163 WeakPolarHBondContact O-CA 3.48Å; H159-G163 PolarHBondContact O-N 2.8Å; G163-R165 PolarHBondContact O-N 3.21Å
164	N	96.2	Very high	95.5	Very high	107 Å²	107	71.8 Å²	71.8	57%	0.572	35%	0.352	S	S	*	.	S	Bend	trans	-73.4	26.5	-176.4	-60.1	-31.7	0	0	0	114.5	H159 W166	H159-N164 PolarHBondContact NE2-OD1 3.5Å; N164-W166 HydrophobicContact CB-CZ2 3.98Å; N164-W166 PolarHBondContact O-N 2.84Å; N164-W166 PolarHBondContact O-NE1 2.95Å; N164-W166 VanDerWaalsContact OD1-CZ2 3.31Å; N164-W166 WeakPolarHBondContact OD1-CZ2 3.34Å
165	R	96.7	Very high	95.3	Very high	140 Å²	140	70 Å²	70	53%	0.528	35%	0.35	S	S	.	.			trans	-79.2	60.8	176.8	-70.4	-166.8	-74	-99.8	10.1	111.4	L162 G163 A167 E168 I169	L162-R165 HydrophobicContact CB-CB 4.24Å; L162-R165 WeakPolarHBondContact O-CG 3.34Å; L162-R165 VanDerWaalsContact O-CZ 3.22Å; L162-R165 PolarHBondContact O-NE 3.21Å; G163-R165 PolarHBondContact O-N 3.21Å; R165-A167 VanDerWaalsContact C-N 3.25Å; R165-A167 PolarHBondContact O-N 3.03Å; R165-A167 VanDerWaalsContact O-N 3.12Å; R165-E168 HydrophobicContact CB-CB 4.22Å; R165-E168 HydrophobicContact CB-CG 4.19Å; R165-E168 WeakPolarHBondContact O-CB 3.47Å; R165-E168 PolarHBondContact O-N 2.93Å; R165-I169 PolarHBondContact O-N 3.03Å; R165-I169 VanDerWaalsContact O-N 3.13Å
166	W	96.7	Very high	95.2	Very high	34 Å²	34	70.8 Å²	70.8	13%	0.129	35%	0.353	C	S	.	.	H	α-helix	trans	-53.4	-35.8	-172.1	-52.4	116.4	0	0	0	114.6	H159 N164 E168 I169 A170 D178 I181 K182 W185	H159-W166 AromaticContact CD2-CH2 3.4Å; H159-W166 WeakPolarHBondContact CD2-CH2 3.42Å; H159-W166 AromaticContact CD2-CZ3 3.73Å; H159-W166 AromaticContact NE2-CH2 3.7Å; N164-W166 HydrophobicContact CB-CZ2 3.98Å; N164-W166 PolarHBondContact O-N 2.84Å; N164-W166 PolarHBondContact O-NE1 2.95Å; N164-W166 VanDerWaalsContact OD1-CZ2 3.31Å; N164-W166 WeakPolarHBondContact OD1-CZ2 3.34Å; W166-E168 VanDerWaalsContact C-N 3.32Å; W166-E168 PolarHBondContact O-N 3.19Å; W166-I169 HydrophobicContact CE3-CD1 3.97Å; W166-I169 HydrophobicContact CZ3-CD1 4.12Å; W166-I169 PolarHBondContact O-N 2.73Å; W166-A170 WeakPolarHBondContact O-CB 3.25Å; W166-A170 PolarHBondContact O-N 3.19Å; W166-D178 HydrophobicContact CB-CB 3.94Å; W166-I181 HydrophobicContact CE3-CG2 3.84Å; W166-I181 HydrophobicContact CZ3-CG2 4.15Å; W166-K182 HydrophobicContact CB-CB 4.5Å; W166-K182 HydrophobicContact CD2-CB 3.76Å; W166-K182 HydrophobicContact CD2-CG 4.27Å; W166-K182 HydrophobicContact CE3-CB 4.3Å; W166-K182 HydrophobicContact CG-CB 3.82Å; W166-K182 HydrophobicContact CG-CG 4.34Å; W166-K182 HydrophobicContact CZ2-CG 4.46Å; W166-W185 HydrophobicContact CH2-CB 3.74Å; W166-W185 AromaticContact CH2-CD1 3.55Å; W166-W185 HydrophobicContact CH2-CD2 4.15Å; W166-W185 AromaticContact CH2-CG 3.5Å; W166-W185 HydrophobicContact CH2-CG 3.5Å; W166-W185 HydrophobicContact CZ2-CG 4.49Å; W166-W185 HydrophobicContact CZ3-CB 3.93Å; W166-W185 HydrophobicContact CZ3-CG 4.05Å
167	A	96.3	Very high	95.3	Very high	59 Å²	59	68.9 Å²	68.9	49%	0.488	35%	0.347	S	S	.	.	H	α-helix	trans	-69.8	-25.3	177.2	0	0	0	0	0	113.8	R165 D178	R165-A167 VanDerWaalsContact C-N 3.25Å; R165-A167 PolarHBondContact O-N 3.03Å; R165-A167 VanDerWaalsContact O-N 3.12Å; A167-D178 HydrophobicContact CB-CB 4.44Å
168	E	96.7	Very high	95.3	Very high	82 Å²	82	66.5 Å²	66.5	38%	0.383	34%	0.338	S	S	.	.	H	α-helix	trans	-80.3	-41.3	171.6	-61.9	-55.3	128.4	0	0	110.8	L162 R165 W166 A170 K171	L162-E168 HydrophobicContact CD1-CB 4.04Å; R165-E168 HydrophobicContact CB-CB 4.22Å; R165-E168 HydrophobicContact CB-CG 4.19Å; R165-E168 WeakPolarHBondContact O-CB 3.47Å; R165-E168 PolarHBondContact O-N 2.93Å; W166-E168 VanDerWaalsContact C-N 3.32Å; W166-E168 PolarHBondContact O-N 3.19Å; E168-A170 VanDerWaalsContact C-N 3.25Å; E168-A170 PolarHBondContact O-N 3.32Å; E168-K171 WeakPolarHBondContact O-CB 3.31Å; E168-K171 PolarHBondContact O-N 3.45Å; E168-K171 VanDerWaalsContact O-N 3.11Å; E168-K171 WeakPolarHBondContact OE1-CE 3.39Å; E168-K171 IonicContact OE1-NZ 2.71Å; E168-K171 PolarHBondContact OE1-NZ 2.82Å; E168-K171 WeakPolarHBondContact OE2-CE 3.1Å; E168-K171 IonicContact OE2-NZ 2.67Å; E168-K171 PolarHBondContact OE2-NZ 2.67Å
169	I	96.4	Very high	95.3	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61.4	-36.3	175.6	-56.6	175.1	0	0	0	110.7	I155 A158 H159 L162 R165 W166 K171 L172 L173 I181	I155-I169 HydrophobicContact CG1-CG2 4.49Å; A158-I169 HydrophobicContact CB-CB 4.4Å; A158-I169 HydrophobicContact CB-CD1 4.43Å; A158-I169 HydrophobicContact CB-CG1 3.92Å; A158-I169 HydrophobicContact CB-CG2 3.94Å; H159-I169 HydrophobicContact CB-CD1 4.2Å; L162-I169 HydrophobicContact CD1-CG1 4.27Å; R165-I169 PolarHBondContact O-N 3.03Å; R165-I169 VanDerWaalsContact O-N 3.13Å; W166-I169 HydrophobicContact CE3-CD1 3.97Å; W166-I169 HydrophobicContact CZ3-CD1 4.12Å; W166-I169 PolarHBondContact O-N 2.73Å; I169-K171 VanDerWaalsContact C-N 3.26Å; I169-K171 PolarHBondContact O-N 2.78Å; I169-L172 WeakPolarHBondContact O-CB 3.05Å; I169-L172 PolarHBondContact O-N 2.7Å; I169-L172 VanDerWaalsContact O-N 3.09Å; I169-L173 HydrophobicContact CG2-CD1 3.96Å; I169-I181 HydrophobicContact CG2-CD1 4.4Å; I169-I181 HydrophobicContact CG2-CG2 3.95Å
170	A	96.4	Very high	95.3	Very high	21 Å²	21	67.4 Å²	67.4	17%	0.174	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-60.5	-29.5	175.3	0	0	0	0	0	114.1	W166 E168 L172 L173 D178 I181	W166-A170 WeakPolarHBondContact O-CB 3.25Å; W166-A170 PolarHBondContact O-N 3.19Å; E168-A170 VanDerWaalsContact C-N 3.25Å; E168-A170 PolarHBondContact O-N 3.32Å; A170-L172 PolarHBondContact O-N 3.02Å; A170-L173 PolarHBondContact O-N 2.88Å; A170-L173 VanDerWaalsContact O-N 3.17Å; A170-D178 HydrophobicContact CB-CB 4.33Å; A170-I181 VanDerWaalsContact CA-CD1 3.45Å; A170-I181 HydrophobicContact CB-CD1 3.8Å
171	K	95.8	Very high	95.4	Very high	142 Å²	142	60 Å²	60	62%	0.617	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-66.9	-23.1	176.5	-59.6	174.7	-168.8	170.4	0	112.6	E168 I169	E168-K171 WeakPolarHBondContact O-CB 3.31Å; E168-K171 PolarHBondContact O-N 3.45Å; E168-K171 VanDerWaalsContact O-N 3.11Å; E168-K171 WeakPolarHBondContact OE1-CE 3.39Å; E168-K171 IonicContact OE1-NZ 2.71Å; E168-K171 PolarHBondContact OE1-NZ 2.82Å; E168-K171 WeakPolarHBondContact OE2-CE 3.1Å; E168-K171 IonicContact OE2-NZ 2.67Å; E168-K171 PolarHBondContact OE2-NZ 2.67Å; I169-K171 VanDerWaalsContact C-N 3.26Å; I169-K171 PolarHBondContact O-N 2.78Å
172	L	94.8	Very high	95.4	Very high	94 Å²	94	53.2 Å²	53.2	49%	0.492	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-86.2	-8.3	178.1	-52.7	176.7	0	0	0	112.8	I154 A158 I169 A170	I154-L172 HydrophobicContact CG2-CB 3.83Å; I154-L172 HydrophobicContact CG2-CD1 4.45Å; A158-L172 HydrophobicContact CB-CD1 3.66Å; I169-L172 WeakPolarHBondContact O-CB 3.05Å; I169-L172 PolarHBondContact O-N 2.7Å; I169-L172 VanDerWaalsContact O-N 3.09Å; A170-L172 PolarHBondContact O-N 3.02Å
173	L	94.3	Very high	95.3	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	30%	0.299	C	S	.	.	S	Bend	trans	-129.1	74.1	-168.9	-69.3	162.5	0	0	0	109.9	E151 I154 I155 I169 A170 G175 R176 I181	E151-L173 HydrophobicContact CB-CD2 3.91Å; E151-L173 HydrophobicContact CG-CD2 3.94Å; I154-L173 HydrophobicContact CB-CD2 3.94Å; I154-L173 HydrophobicContact CD1-CD2 4.09Å; I154-L173 HydrophobicContact CG2-CD1 4.24Å; I154-L173 HydrophobicContact CG2-CD2 3.7Å; I154-L173 HydrophobicContact CG2-CG 3.82Å; I155-L173 HydrophobicContact CD1-CD1 4.13Å; I155-L173 HydrophobicContact CG1-CD1 3.42Å; I155-L173 VanDerWaalsContact CG1-CD1 3.42Å; I169-L173 HydrophobicContact CG2-CD1 3.96Å; A170-L173 PolarHBondContact O-N 2.88Å; A170-L173 VanDerWaalsContact O-N 3.17Å; L173-G175 PolarHBondContact O-N 3.33Å; L173-G175 VanDerWaalsContact O-N 3.13Å; L173-R176 HydrophobicContact CB-CB 3.95Å; L173-R176 HydrophobicContact CB-CG 4.18Å; L173-R176 PolarHBondContact O-N 3.22Å; L173-I181 HydrophobicContact CB-CD1 4.31Å; L173-I181 HydrophobicContact CD1-CD1 3.62Å; L173-I181 HydrophobicContact CD1-CG1 3.91Å
174	P	92	Very high	95.4	Very high	96 Å²	96	54 Å²	54	62%	0.623	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	119.8	-170.5	21.7	-33.2	0	0	0	111.6	K143	K143-P174 WeakPolarHBondContact CD-O 3.37Å; K143-P174 WeakPolarHBondContact CE-O 3.34Å; K143-P174 PolarHBondContact NZ-O 3.07Å
175	G	91.3	Very high	95.3	Very high	27 Å²	27	49.6 Å²	49.6	28%	0.278	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	0.3	-176.7	0	0	0	0	0	115.6	E141 V142 K143 L173	E141-G175 WeakPolarHBondContact O-CA 3.45Å; V142-G175 WeakPolarHBondContact CA-O 3.41Å; K143-G175 PolarHBondContact N-O 3.12Å; L173-G175 PolarHBondContact O-N 3.33Å; L173-G175 VanDerWaalsContact O-N 3.13Å
176	R	94.6	Very high	95.2	Very high	17 Å²	17	46.6 Å²	46.6	6%	0.064	26%	0.258	C	S	.	.			trans	-99.8	139.4	167.6	-59.1	-62.3	-170.1	173.3	11.5	109.9	K143 T145 S146 W147 E151 L173 I181	K143-R176 PolarHBondContact O-NH1 3.31Å; T145-R176 PolarHBondContact O-NH1 2.89Å; T145-R176 PolarHBondContact O-NH2 3.48Å; T145-R176 PolarHBondContact OG1-NH2 3.35Å; S146-R176 PolarHBondContact O-NH2 2.95Å; W147-R176 HydrophobicContact CH2-CB 4.14Å; W147-R176 HydrophobicContact CH2-CG 3.98Å; W147-R176 HydrophobicContact CZ3-CB 4.23Å; W147-R176 HydrophobicContact CZ3-CG 3.69Å; E151-R176 WeakPolarHBondContact OE1-CG 3.2Å; E151-R176 IonicContact OE1-CZ 2.67Å; E151-R176 IonicContact OE1-NE 2.67Å; E151-R176 PolarHBondContact OE1-NE 3.08Å; E151-R176 IonicContact OE1-NH2 2.95Å; E151-R176 PolarHBondContact OE1-NH2 2.9Å; E151-R176 IonicContact OE2-CZ 3.94Å; E151-R176 IonicContact OE2-NE 3.75Å; E151-R176 IonicContact OE2-NH2 3.78Å; E151-R176 PolarHBondContact OE2-NH2 3.39Å; L173-R176 HydrophobicContact CB-CB 3.95Å; L173-R176 HydrophobicContact CB-CG 4.18Å; L173-R176 PolarHBondContact O-N 3.22Å; R176-I181 HydrophobicContact CB-CD1 4.17Å; R176-I181 HydrophobicContact CB-CG1 4.15Å
177	T	96.1	Very high	95	Very high	18 Å²	18	48.1 Å²	48.1	11%	0.11	27%	0.274	C	S	.	.			trans	-91.3	155.8	178.6	72.2	0	0	0	0	111.6	H135 N136 V142 N179 A180 I181	H135-T177 WeakPolarHBondContact O-CG2 3.47Å; N136-T177 PolarHBondContact OD1-OG1 2.98Å; V142-T177 HydrophobicContact CG1-CG2 4.18Å; V142-T177 HydrophobicContact CG2-CG2 3.91Å; T177-N179 PolarHBondContact O-N 3.35Å; T177-A180 WeakPolarHBondContact O-CB 3.31Å; T177-A180 PolarHBondContact O-N 3.39Å; T177-A180 WeakPolarHBondContact OG1-CB 3.4Å; T177-A180 PolarHBondContact OG1-N 3.43Å; T177-A180 VanDerWaalsContact OG1-N 3.09Å; T177-I181 WeakPolarHBondContact O-CD1 3.32Å; T177-I181 WeakPolarHBondContact O-CG1 3.25Å; T177-I181 PolarHBondContact O-N 3.4Å
178	D	95.5	Very high	94.6	Very high	72 Å²	72	47.6 Å²	47.6	39%	0.385	27%	0.265	S	S	.	.	H	α-helix	trans	-51.9	-41.3	172.1	69.5	-52.1	0	0	0	111.6	W166 A167 A170 K182	W166-D178 HydrophobicContact CB-CB 3.94Å; A167-D178 HydrophobicContact CB-CB 4.44Å; A170-D178 HydrophobicContact CB-CB 4.33Å; D178-K182 WeakPolarHBondContact O-CB 3.06Å; D178-K182 PolarHBondContact O-N 3.02Å
179	N	95.2	Very high	94.3	Very high	29 Å²	29	43.7 Å²	43.7	16%	0.155	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-40.8	176.6	-169.6	54.8	0	0	0	112.3	N136 T177 K182 N183	N136-N179 VanDerWaalsContact OD1-CB 3.22Å; N136-N179 WeakPolarHBondContact OD1-CB 3.18Å; T177-N179 PolarHBondContact O-N 3.35Å; N179-K182 VanDerWaalsContact OD1-CE 3.31Å; N179-K182 WeakPolarHBondContact OD1-CE 3.43Å; N179-K182 PolarHBondContact OD1-NZ 3.2Å; N179-N183 VanDerWaalsContact O-CB 3.31Å; N179-N183 WeakPolarHBondContact O-CB 3.43Å; N179-N183 PolarHBondContact O-N 3.22Å; N179-N183 PolarHBondContact O-ND2 3.32Å; N179-N183 PolarHBondContact O-OD1 2.94Å
180	A	95.3	Very high	93.8	Very high	29 Å²	29	49 Å²	49	24%	0.24	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-46	177.1	0	0	0	0	0	111.5	W147 T177 N183 H184	W147-A180 HydrophobicContact CH2-CB 4.2Å; W147-A180 HydrophobicContact CZ2-CB 4.01Å; W147-A180 WeakPolarHBondContact CZ2-O 3.33Å; T177-A180 WeakPolarHBondContact O-CB 3.31Å; T177-A180 PolarHBondContact O-N 3.39Å; T177-A180 WeakPolarHBondContact OG1-CB 3.4Å; T177-A180 PolarHBondContact OG1-N 3.43Å; T177-A180 VanDerWaalsContact OG1-N 3.09Å; A180-N183 PolarHBondContact O-N 3.19Å; A180-H184 WeakPolarHBondContact O-CB 3.33Å; A180-H184 PolarHBondContact O-N 3.12Å
181	I	96.1	Very high	93.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-49.7	178.9	-64.1	157.2	0	0	0	110.7	W147 I155 W166 I169 A170 L173 R176 T177 N183 H184 W185	W147-I181 HydrophobicContact CH2-CG1 3.87Å; W147-I181 HydrophobicContact CZ3-CG1 4.34Å; I155-I181 HydrophobicContact CD1-CG1 4.5Å; I155-I181 HydrophobicContact CD1-CG2 4.09Å; I155-I181 HydrophobicContact CG1-CG2 3.94Å; I155-I181 HydrophobicContact CG2-CG2 3.97Å; W166-I181 HydrophobicContact CE3-CG2 3.84Å; W166-I181 HydrophobicContact CZ3-CG2 4.15Å; I169-I181 HydrophobicContact CG2-CD1 4.4Å; I169-I181 HydrophobicContact CG2-CG2 3.95Å; A170-I181 VanDerWaalsContact CA-CD1 3.45Å; A170-I181 HydrophobicContact CB-CD1 3.8Å; L173-I181 HydrophobicContact CB-CD1 4.31Å; L173-I181 HydrophobicContact CD1-CD1 3.62Å; L173-I181 HydrophobicContact CD1-CG1 3.91Å; R176-I181 HydrophobicContact CB-CD1 4.17Å; R176-I181 HydrophobicContact CB-CG1 4.15Å; T177-I181 WeakPolarHBondContact O-CD1 3.32Å; T177-I181 WeakPolarHBondContact O-CG1 3.25Å; T177-I181 PolarHBondContact O-N 3.4Å; I181-N183 VanDerWaalsContact C-N 3.26Å; I181-N183 PolarHBondContact O-N 2.78Å; I181-H184 PolarHBondContact O-N 2.87Å; I181-W185 WeakPolarHBondContact O-CB 3.2Å; I181-W185 PolarHBondContact O-N 2.93Å
182	K	95.9	Very high	92.3	Very high	68 Å²	68	52 Å²	52	30%	0.296	27%	0.271	S	S	.	.	H	α-helix	trans	-54.2	-43.1	174.1	175.5	-165.6	71.4	-168.4	0	111.7	W166 D178 N179 N186	W166-K182 HydrophobicContact CB-CB 4.5Å; W166-K182 HydrophobicContact CD2-CB 3.76Å; W166-K182 HydrophobicContact CD2-CG 4.27Å; W166-K182 HydrophobicContact CE3-CB 4.3Å; W166-K182 HydrophobicContact CG-CB 3.82Å; W166-K182 HydrophobicContact CG-CG 4.34Å; W166-K182 HydrophobicContact CZ2-CG 4.46Å; D178-K182 WeakPolarHBondContact O-CB 3.06Å; D178-K182 PolarHBondContact O-N 3.02Å; N179-K182 VanDerWaalsContact OD1-CE 3.31Å; N179-K182 WeakPolarHBondContact OD1-CE 3.43Å; N179-K182 PolarHBondContact OD1-NZ 3.2Å; K182-N186 PolarHBondContact O-N 3.07Å; K182-N186 PolarHBondContact O-ND2 3.35Å
183	N	95.3	Very high	91.4	Very high	81 Å²	81	49.2 Å²	49.2	43%	0.433	26%	0.258	S	S	.	.	H	α-helix	trans	-68.3	-48.4	-178.7	-69.4	-6.3	0	0	0	111	N179 A180 I181 W185 N186 S187	N179-N183 VanDerWaalsContact O-CB 3.31Å; N179-N183 WeakPolarHBondContact O-CB 3.43Å; N179-N183 PolarHBondContact O-N 3.22Å; N179-N183 PolarHBondContact O-ND2 3.32Å; N179-N183 PolarHBondContact O-OD1 2.94Å; A180-N183 PolarHBondContact O-N 3.19Å; I181-N183 VanDerWaalsContact C-N 3.26Å; I181-N183 PolarHBondContact O-N 2.78Å; N183-W185 VanDerWaalsContact C-N 3.34Å; N183-W185 PolarHBondContact O-N 2.85Å; N183-N186 PolarHBondContact O-N 2.75Å; N183-S187 PolarHBondContact O-N 2.71Å; N183-S187 PolarHBondContact O-OG 2.83Å; N183-S187 VanDerWaalsContact O-OG 3.08Å
184	H	94.9	Very high	90.5	Very high	15 Å²	15	55.4 Å²	55.4	7%	0.069	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-38.8	177.6	-178.5	55	0	0	0	113	W147 D152 A180 I181 N186 S187 T188 M189	W147-H184 AromaticContact CD1-CD2 3.98Å; W147-H184 AromaticContact CD1-CE1 3.53Å; W147-H184 AromaticContact CD1-CG 3.67Å; W147-H184 AromaticContact CD1-ND1 3.4Å; W147-H184 AromaticContact CD1-NE2 3.89Å; W147-H184 HydrophobicContact CD2-CB 4.31Å; W147-H184 AromaticContact CD2-CD2 3.58Å; W147-H184 AromaticContact CD2-CG 3.84Å; W147-H184 AromaticContact CD2-NE2 3.89Å; W147-H184 AromaticContact CE2-CD2 3.77Å; W147-H184 AromaticContact CE2-CG 3.57Å; W147-H184 AromaticContact CE3-CD2 4Å; W147-H184 AromaticContact CG-CD2 3.75Å; W147-H184 AromaticContact CG-CE1 3.64Å; W147-H184 AromaticContact CG-CG 3.91Å; W147-H184 AromaticContact CG-ND1 3.88Å; W147-H184 AromaticContact CG-NE2 3.57Å; W147-H184 HydrophobicContact CH2-CB 4.42Å; W147-H184 HydrophobicContact CZ2-CB 3.64Å; W147-H184 AromaticContact NE1-CD2 3.99Å; W147-H184 AromaticContact NE1-CG 3.45Å; W147-H184 AromaticContact NE1-ND1 3.57Å; D152-H184 IonicContact OD1-CD2 3.23Å; D152-H184 IonicContact OD1-CE1 3.55Å; D152-H184 IonicContact OD1-NE2 2.95Å; D152-H184 PolarHBondContact OD1-NE2 3.13Å; D152-H184 IonicContact OD2-CE1 2.68Å; D152-H184 IonicContact OD2-NE2 2.7Å; D152-H184 PolarHBondContact OD2-NE2 3.34Å; A180-H184 WeakPolarHBondContact O-CB 3.33Å; A180-H184 PolarHBondContact O-N 3.12Å; I181-H184 PolarHBondContact O-N 2.87Å; H184-N186 PolarHBondContact O-N 2.86Å; H184-S187 WeakPolarHBondContact CA-OG 3.44Å; H184-S187 PolarHBondContact O-OG 3.25Å; H184-T188 WeakPolarHBondContact ND1-CB 3.44Å; H184-T188 PolarHBondContact ND1-OG1 3.1Å; H184-T188 WeakPolarHBondContact O-CA 3.48Å; H184-T188 VanDerWaalsContact O-CB 3.23Å; H184-T188 WeakPolarHBondContact O-CB 3.1Å; H184-T188 PolarHBondContact O-N 3.31Å; H184-T188 PolarHBondContact O-OG1 2.81Å; H184-M189 PolarHBondContact O-N 2.89Å; H184-M189 VanDerWaalsContact O-N 3.16Å
185	W	95.1	Very high	88.9	Confident	14 Å²	14	58.3 Å²	58.3	5%	0.053	29%	0.292	C	S	.	.	I	π-helix	trans	-57.5	-49.7	172.4	179.8	-94	0	0	0	111.6	I155 Y156 H159 W166 I181 N183 M189 R190 V193	I155-W185 HydrophobicContact CG2-CE3 3.88Å; I155-W185 HydrophobicContact CG2-CZ3 4.45Å; Y156-W185 HydrophobicContact CD2-CH2 4.35Å; Y156-W185 HydrophobicContact CD2-CZ3 4.44Å; H159-W185 HydrophobicContact CB-CH2 4.22Å; H159-W185 HydrophobicContact CB-CZ3 4.13Å; H159-W185 AromaticContact CE1-CE2 3.85Å; H159-W185 AromaticContact CE1-CZ2 3.55Å; H159-W185 AromaticContact CG-CH2 3.92Å; H159-W185 AromaticContact CG-CZ2 3.91Å; H159-W185 AromaticContact ND1-CE2 3.99Å; H159-W185 AromaticContact ND1-CH2 3.6Å; H159-W185 AromaticContact ND1-CZ2 3.42Å; H159-W185 WeakPolarHBondContact ND1-CZ2 3.45Å; H159-W185 AromaticContact NE2-CE2 3.96Å; H159-W185 AromaticContact NE2-NE1 3.99Å; W166-W185 HydrophobicContact CH2-CB 3.74Å; W166-W185 AromaticContact CH2-CD1 3.55Å; W166-W185 HydrophobicContact CH2-CD2 4.15Å; W166-W185 AromaticContact CH2-CG 3.5Å; W166-W185 HydrophobicContact CH2-CG 3.5Å; W166-W185 HydrophobicContact CZ2-CG 4.49Å; W166-W185 HydrophobicContact CZ3-CB 3.93Å; W166-W185 HydrophobicContact CZ3-CG 4.05Å; I181-W185 WeakPolarHBondContact O-CB 3.2Å; I181-W185 PolarHBondContact O-N 2.93Å; N183-W185 VanDerWaalsContact C-N 3.34Å; N183-W185 PolarHBondContact O-N 2.85Å; W185-M189 HydrophobicContact CD2-CB 4.31Å; W185-M189 HydrophobicContact CE3-CB 3.71Å; W185-M189 HydrophobicContact CE3-CE 4.16Å; W185-M189 HydrophobicContact CE3-CG 4.41Å; W185-M189 HydrophobicContact CE3-SD 3.86Å; W185-M189 HydrophobicContact CZ3-CB 4.11Å; W185-M189 HydrophobicContact CZ3-CE 4.09Å; W185-M189 HydrophobicContact CZ3-SD 4.4Å; W185-M189 PolarHBondContact O-N 3.33Å; W185-R190 VanDerWaalsContact O-CB 3.32Å; W185-R190 WeakPolarHBondContact O-CB 3.34Å; W185-R190 PolarHBondContact O-N 2.85Å; W185-V193 HydrophobicContact CH2-CG1 4.32Å; W185-V193 HydrophobicContact CH2-CG2 4.29Å; W185-V193 HydrophobicContact CZ3-CG2 4.32Å
186	N	94.2	Very high	87.2	Confident	76 Å²	76	63.9 Å²	63.9	41%	0.406	31%	0.311	S	S	.	.	I	π-helix	trans	-74.9	-32.7	-176.4	-73.7	-67.5	0	0	0	113.7	K182 N183 H184 R190	K182-N186 PolarHBondContact O-N 3.07Å; K182-N186 PolarHBondContact O-ND2 3.35Å; N183-N186 PolarHBondContact O-N 2.75Å; H184-N186 PolarHBondContact O-N 2.86Å; N186-R190 PolarHBondContact OD1-NH1 3.23Å
187	S	91.9	Very high	85.7	Confident	67 Å²	67	64.4 Å²	64.4	47%	0.469	32%	0.322	S	S	.	.	I	π-helix	trans	-78.3	-43.6	177.7	59.5	0	0	0	0	112.8	N183 H184 R191	N183-S187 PolarHBondContact O-N 2.71Å; N183-S187 PolarHBondContact O-OG 2.83Å; N183-S187 VanDerWaalsContact O-OG 3.08Å; H184-S187 WeakPolarHBondContact CA-OG 3.44Å; H184-S187 PolarHBondContact O-OG 3.25Å; S187-R191 PolarHBondContact O-NH2 2.9Å; S187-R191 VanDerWaalsContact O-NH2 3.13Å
188	T	89.6	Confident	84	Confident	47 Å²	47	67.3 Å²	67.3	29%	0.288	33%	0.332	S	S	.	.	I	π-helix	trans	-116.9	-58.2	-159.6	-36.5	0	0	0	0	111.7	H184	H184-T188 WeakPolarHBondContact ND1-CB 3.44Å; H184-T188 PolarHBondContact ND1-OG1 3.1Å; H184-T188 WeakPolarHBondContact O-CA 3.48Å; H184-T188 VanDerWaalsContact O-CB 3.23Å; H184-T188 WeakPolarHBondContact O-CB 3.1Å; H184-T188 PolarHBondContact O-N 3.31Å; H184-T188 PolarHBondContact O-OG1 2.81Å
189	M	89.8	Confident	82.3	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.322	C	S	.	.	I	π-helix	trans	-78.4	-43	-165	-58.1	-178.8	71.1	0	0	113.4	D152 I155 H184 W185 R191 K192 V193 L199	D152-M189 HydrophobicContact CB-CE 3.89Å; D152-M189 WeakPolarHBondContact O-CE 3.22Å; I155-M189 HydrophobicContact CB-CE 3.95Å; I155-M189 HydrophobicContact CB-SD 3.82Å; I155-M189 HydrophobicContact CD1-SD 4.05Å; I155-M189 HydrophobicContact CG2-CE 3.99Å; I155-M189 HydrophobicContact CG2-SD 3.5Å; I155-M189 VanDerWaalsContact CG2-SD 3.5Å; H184-M189 PolarHBondContact O-N 2.89Å; H184-M189 VanDerWaalsContact O-N 3.16Å; W185-M189 HydrophobicContact CD2-CB 4.31Å; W185-M189 HydrophobicContact CE3-CB 3.71Å; W185-M189 HydrophobicContact CE3-CE 4.16Å; W185-M189 HydrophobicContact CE3-CG 4.41Å; W185-M189 HydrophobicContact CE3-SD 3.86Å; W185-M189 HydrophobicContact CZ3-CB 4.11Å; W185-M189 HydrophobicContact CZ3-CE 4.09Å; W185-M189 HydrophobicContact CZ3-SD 4.4Å; W185-M189 PolarHBondContact O-N 3.33Å; M189-R191 PolarHBondContact O-N 2.93Å; M189-K192 PolarHBondContact O-N 2.95Å; M189-V193 HydrophobicContact CB-CG2 4.42Å; M189-V193 WeakPolarHBondContact O-CB 3.27Å; M189-V193 WeakPolarHBondContact O-CG2 3.25Å; M189-V193 PolarHBondContact O-N 2.79Å; M189-L199 HydrophobicContact CE-CD1 4.12Å
190	R	86	Confident	80.5	Confident	113 Å²	113	71.3 Å²	71.3	43%	0.426	35%	0.348	S	S	.	.	H	α-helix	trans	-45.6	-57.4	-173	177.9	-179.4	-125.4	158.2	0.4	112.3	W185 N186 V193 E194	W185-R190 VanDerWaalsContact O-CB 3.32Å; W185-R190 WeakPolarHBondContact O-CB 3.34Å; W185-R190 PolarHBondContact O-N 2.85Å; N186-R190 PolarHBondContact OD1-NH1 3.23Å; R190-V193 PolarHBondContact O-N 2.87Å; R190-E194 VanDerWaalsContact CG-CD 3.49Å; R190-E194 WeakPolarHBondContact CG-OE1 3.17Å; R190-E194 WeakPolarHBondContact CG-OE2 3.42Å; R190-E194 IonicContact NE-OE1 3.26Å; R190-E194 WeakPolarHBondContact O-CB 3.29Å; R190-E194 WeakPolarHBondContact O-CG 3.42Å; R190-E194 PolarHBondContact O-N 3.3Å
191	R	81.8	Confident	78.3	Confident	160 Å²	160	76.8 Å²	76.8	60%	0.604	37%	0.369	S	S	*	.	H	α-helix	trans	-65.1	-45.4	179.9	-69.9	179	-69.4	148.3	2.5	112.3	S187 M189 V193 E194 Q195	S187-R191 PolarHBondContact O-NH2 2.9Å; S187-R191 VanDerWaalsContact O-NH2 3.13Å; M189-R191 PolarHBondContact O-N 2.93Å; R191-V193 VanDerWaalsContact C-N 3.29Å; R191-V193 PolarHBondContact O-N 3.09Å; R191-E194 PolarHBondContact O-N 3.29Å; R191-Q195 WeakPolarHBondContact O-CB 3.28Å; R191-Q195 PolarHBondContact O-N 3.11Å
192	K	77.9	Confident	76.1	Confident	64 Å²	64	81.1 Å²	81.1	28%	0.278	40%	0.399	S	S	.	.	H	α-helix	trans	-58.6	-39.1	177.1	-74.8	-171.2	170.3	-163.1	0	113.1	M189 E196 G197 Y198	M189-K192 PolarHBondContact O-N 2.95Å; K192-E196 PolarHBondContact O-N 3.43Å; K192-E196 VanDerWaalsContact O-N 3.08Å; K192-G197 PolarHBondContact O-N 3.27Å; K192-Y198 HydrophobicContact CB-CD1 3.99Å; K192-Y198 HydrophobicContact CB-CG 3.93Å; K192-Y198 HydrophobicContact CD-CD1 3.63Å; K192-Y198 HydrophobicContact CD-CD2 4Å; K192-Y198 HydrophobicContact CD-CE1 3.62Å; K192-Y198 HydrophobicContact CD-CE2 4.04Å; K192-Y198 HydrophobicContact CD-CG 3.83Å; K192-Y198 HydrophobicContact CG-CD1 4.48Å; K192-Y198 HydrophobicContact CG-CG 4.43Å; K192-Y198 PolarHBondContact NZ-OH 2.91Å
193	V	77.4	Confident	73.9	Confident	36 Å²	36	83.3 Å²	83.3	22%	0.218	42%	0.422	C	S	.	.	H	α-helix	trans	-70	-43.5	177.2	167.5	0	0	0	0	111.1	Y156 W185 M189 R190 R191	Y156-V193 HydrophobicContact CD2-CG1 3.79Å; Y156-V193 HydrophobicContact CD2-CG2 3.82Å; Y156-V193 HydrophobicContact CE2-CG1 3.47Å; Y156-V193 VanDerWaalsContact CE2-CG1 3.47Å; Y156-V193 HydrophobicContact CE2-CG2 4.28Å; W185-V193 HydrophobicContact CH2-CG1 4.32Å; W185-V193 HydrophobicContact CH2-CG2 4.29Å; W185-V193 HydrophobicContact CZ3-CG2 4.32Å; M189-V193 HydrophobicContact CB-CG2 4.42Å; M189-V193 WeakPolarHBondContact O-CB 3.27Å; M189-V193 WeakPolarHBondContact O-CG2 3.25Å; M189-V193 PolarHBondContact O-N 2.79Å; R190-V193 PolarHBondContact O-N 2.87Å; R191-V193 VanDerWaalsContact C-N 3.29Å; R191-V193 PolarHBondContact O-N 3.09Å
194	E	73.9	Confident	71.7	Confident	135 Å²	135	87.8 Å²	87.8	63%	0.631	44%	0.438	S	S	*	.	H	α-helix	trans	-71.9	-26.3	179.1	-71.8	160.8	-178.2	0	0	113.2	R190 R191	R190-E194 VanDerWaalsContact CG-CD 3.49Å; R190-E194 WeakPolarHBondContact CG-OE1 3.17Å; R190-E194 WeakPolarHBondContact CG-OE2 3.42Å; R190-E194 IonicContact NE-OE1 3.26Å; R190-E194 WeakPolarHBondContact O-CB 3.29Å; R190-E194 WeakPolarHBondContact O-CG 3.42Å; R190-E194 PolarHBondContact O-N 3.3Å; R191-E194 PolarHBondContact O-N 3.29Å
195	Q	59.8	Low	69.3	Low	157 Å²	157	91.2 Å²	91.2	73%	0.734	47%	0.469	S	S	*	.	H	α-helix	trans	-116.6	-25.9	-163.5	-163.9	163	23.7	0	0	115.6	R191	R191-Q195 WeakPolarHBondContact O-CB 3.28Å; R191-Q195 PolarHBondContact O-N 3.11Å
196	E	55.5	Low	66.8	Low	143 Å²	143	95.5 Å²	95.5	67%	0.668	50%	0.501	S	S	*	.	S	Bend	trans	-132.7	-2.2	-171	-65.2	-179.2	147.4	0	0	114.4	K192 Y198	K192-E196 PolarHBondContact O-N 3.43Å; K192-E196 VanDerWaalsContact O-N 3.08Å; E196-Y198 PolarHBondContact O-N 3.35Å
197	G	61.9	Low	64.3	Low	29 Å²	29	100.1 Å²	100.1	30%	0.299	52%	0.52	S	S	.	.			trans	60.4	33	-176.3	0	0	0	0	0	112.8	K192 L199 Q200	K192-G197 PolarHBondContact O-N 3.27Å; G197-L199 PolarHBondContact O-N 3.13Å; G197-Q200 VanDerWaalsContact O-CB 3.27Å; G197-Q200 WeakPolarHBondContact O-CB 3.4Å; G197-Q200 PolarHBondContact O-N 3.38Å
198	Y	61.1	Low	61.9	Low	79 Å²	79	102.5 Å²	102.5	31%	0.31	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-12.7	-165.4	-179.3	-123.3	0	0	0	118	K192 E196	K192-Y198 HydrophobicContact CB-CD1 3.99Å; K192-Y198 HydrophobicContact CB-CG 3.93Å; K192-Y198 HydrophobicContact CD-CD1 3.63Å; K192-Y198 HydrophobicContact CD-CD2 4Å; K192-Y198 HydrophobicContact CD-CE1 3.62Å; K192-Y198 HydrophobicContact CD-CE2 4.04Å; K192-Y198 HydrophobicContact CD-CG 3.83Å; K192-Y198 HydrophobicContact CG-CD1 4.48Å; K192-Y198 HydrophobicContact CG-CG 4.43Å; K192-Y198 PolarHBondContact NZ-OH 2.91Å; E196-Y198 PolarHBondContact O-N 3.35Å
199	L	60.3	Low	59.5	Low	35 Å²	35	105 Å²	105	18%	0.183	56%	0.56	C	S	.	*	T	Hydrogen-bonded Turn	trans	-132.4	16.4	-178.6	-57.3	169.3	0	0	0	112.6	D152 R153 Y156 M189 G197	D152-L199 HydrophobicContact CB-CD1 4.37Å; D152-L199 HydrophobicContact CB-CD2 4.34Å; D152-L199 WeakPolarHBondContact O-CD1 3.33Å; R153-L199 HydrophobicContact CG-CD2 3.83Å; Y156-L199 VanDerWaalsContact CB-CD1 3.43Å; Y156-L199 HydrophobicContact CD1-CB 4.37Å; Y156-L199 HydrophobicContact CD1-CD1 4.17Å; Y156-L199 HydrophobicContact CG-CD1 3.89Å; M189-L199 HydrophobicContact CE-CD1 4.12Å; G197-L199 PolarHBondContact O-N 3.13Å
200	Q	58	Low	57.2	Low	150 Å²	150	111.4 Å²	111.4	70%	0.701	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	-20.6	-175.8	-169.8	165.8	-4.1	0	0	112.9	G197	G197-Q200 VanDerWaalsContact O-CB 3.27Å; G197-Q200 WeakPolarHBondContact O-CB 3.4Å; G197-Q200 PolarHBondContact O-N 3.38Å
201	E	49	Very low	55	Low	144 Å²	144	110.4 Å²	110.4	67%	0.673	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	119.4	178.8	-162	56.2	-96.5	0	0	111.8
202	S	48.7	Very low	53	Low	91 Å²	91	108.4 Å²	108.4	64%	0.636	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	169.9	-25.6	172.5	38.6	0	0	0	0	110.5	K204	S202-K204 VanDerWaalsContact C-N 3.32Å; S202-K204 PolarHBondContact O-N 3.17Å
203	S	50.2	Low	51.1	Low	113 Å²	113	110.6 Å²	110.6	79%	0.79	64%	0.644	S	S	*	*	S	Bend	trans	-80.1	-0.6	-179.1	-47.4	0	0	0	0	115.2
204	K	49.6	Very low	49.1	Very low	176 Å²	176	118.6 Å²	118.6	77%	0.765	68%	0.676	S	S	*	*	S	Bend	trans	-129.2	0.1	-176.2	-70.9	-167.5	174.1	-173.8	0	116.2	S202 S206	S202-K204 VanDerWaalsContact C-N 3.32Å; S202-K204 PolarHBondContact O-N 3.17Å; K204-S206 PolarHBondContact O-N 3.3Å
205	A	43.8	Very low	47.5	Very low	86 Å²	86	121.2 Å²	121.2	71%	0.711	69%	0.688	S	S	*	*			trans	-77.9	53.4	176.7	0	0	0	0	0	112.8
206	S	42.8	Very low	46.4	Very low	105 Å²	105	123 Å²	123	73%	0.734	69%	0.693	S	S	*	*			trans	-145.4	51.3	178.3	-65.8	0	0	0	0	111.9	K204	K204-S206 PolarHBondContact O-N 3.3Å
207	Q	41.2	Very low	45.3	Very low	172 Å²	172	123.6 Å²	123.6	80%	0.804	70%	0.701	S	S	*	*			trans	-139.8	118.5	162.7	-73.2	-60.1	-30.6	0	0	108.8	A209	Q207-A209 PolarHBondContact O-N 3.08Å
208	P	42	Very low	44	Very low	117 Å²	117	127.3 Å²	127.3	76%	0.76	72%	0.722	S	S	*	*			trans	-76.2	105.3	177.7	29.9	-32.2	0	0	0	110.1	V210	P208-V210 PolarHBondContact O-N 2.78Å; P208-V210 VanDerWaalsContact O-N 3.1Å
209	A	39.7	Very low	42.8	Very low	100 Å²	100	131.6 Å²	131.6	83%	0.826	75%	0.745	S	S	*	*			trans	-69	106.1	174.2	0	0	0	0	0	110.5	Q207 A211	Q207-A209 PolarHBondContact O-N 3.08Å; A209-A211 PolarHBondContact O-N 3.02Å
210	V	40.9	Very low	41.7	Very low	134 Å²	134	137.2 Å²	137.2	81%	0.812	77%	0.774	S	S	*	*			trans	-64.2	118.8	175.6	179.6	0	0	0	0	109.4	P208 T212	P208-V210 PolarHBondContact O-N 2.78Å; P208-V210 VanDerWaalsContact O-N 3.1Å; V210-T212 PolarHBondContact O-N 3.37Å; V210-T212 VanDerWaalsContact O-N 3.11Å
211	A	39.3	Very low	40.7	Very low	92 Å²	92	138.1 Å²	138.1	76%	0.76	78%	0.781	S	S	*	*			trans	-76.4	98.4	-174.4	0	0	0	0	0	112.2	A209 S213	A209-A211 PolarHBondContact O-N 3.02Å; A211-S213 PolarHBondContact O-N 3.5Å
212	T	39.8	Very low	39.9	Very low	118 Å²	118	134.8 Å²	134.8	72%	0.724	79%	0.785	S	S	*	*			trans	-77.1	97.1	166.3	53.1	0	0	0	0	110.1	V210 F214	V210-T212 PolarHBondContact O-N 3.37Å; V210-T212 VanDerWaalsContact O-N 3.11Å; T212-F214 PolarHBondContact O-N 2.95Å
213	S	38	Very low	39.2	Very low	111 Å²	111	140.3 Å²	140.3	78%	0.776	80%	0.798	S	S	*	*			trans	-75.1	118.6	178.2	46.6	0	0	0	0	112	A211 Q215	A211-S213 PolarHBondContact O-N 3.5Å; S213-Q215 PolarHBondContact O-N 3.41Å
214	F	35.9	Very low	38.3	Very low	203 Å²	203	138.2 Å²	138.2	89%	0.89	79%	0.788	S	S	*	*			trans	-83.7	104.9	167.2	-76.7	-84.9	0	0	0	110.2	T212	T212-F214 PolarHBondContact O-N 2.95Å
215	Q	39.8	Very low	37.6	Very low	190 Å²	190	138.6 Å²	138.6	89%	0.888	79%	0.792	S	S	*	*			trans	-108.3	131.4	160.1	-78.1	-169.9	-24	0	0	110.3	S213	S213-Q215 PolarHBondContact O-N 3.41Å
216	K	37.4	Very low	37.1	Very low	194 Å²	194	139 Å²	139	84%	0.843	80%	0.796	S	S	*	*			trans	-89.3	129.2	166.7	-63.2	176.8	179.4	177.7	0	108.4
217	N	31.6	Very low	37.4	Very low	157 Å²	157	139.8 Å²	139.8	84%	0.84	80%	0.798	S	S	*	*				-178.9	160.5	113	-91.4	-7.7	0	0	0	112
218	S	34	Very low	37.9	Very low	106 Å²	106	136.4 Å²	136.4	74%	0.741	79%	0.791	S	S	*	*			trans	-81	136.9	177.6	51.9	0	0	0	0	112.6
219	H	35.9	Very low	37.4	Very low	169 Å²	169	137 Å²	137	78%	0.782	79%	0.793	S	S	*	*			trans	-160.9	130.7	133.8	-128.5	-108.6	0	0	0	113.6
220	L	37.3	Very low	37.1	Very low	153 Å²	153	136 Å²	136	80%	0.801	78%	0.784	S	S	*	*			trans	55	144	140.9	-161.7	60.9	0	0	0	121.9
221	M	38.9	Very low	36.5	Very low	170 Å²	170	137.8 Å²	137.8	84%	0.837	78%	0.784	S	S	*	*			trans	-66.6	148.5	172.8	-67.5	-168.7	-67.6	0	0	113.4
222	G	32	Very low	36.1	Very low	74 Å²	74	141 Å²	141	76%	0.763	79%	0.787	S	S	*	*			trans	-153.3	120.6	166	0	0	0	0	0	112.4
223	F	32.6	Very low	36.2	Very low	206 Å²	206	140.8 Å²	140.8	90%	0.904	79%	0.788	S	S	*	*			trans	-69	164.2	163.2	-80.7	-111.8	0	0	0	109.3
224	A	31.2	Very low	35.8	Very low	70 Å²	70	139.4 Å²	139.4	58%	0.579	78%	0.784	S	S	*	*			cis	-160.5	176.1	14.6	0	0	0	0	0	112.6
225	Q	34.8	Very low	35.5	Very low	183 Å²	183	136.7 Å²	136.7	86%	0.855	78%	0.784	S	S	*	*			trans	57	110.2	145.6	-67	169	21.9	0	0	119.1
226	A	33.2	Very low	35.1	Very low	96 Å²	96	131.6 Å²	131.6	79%	0.793	78%	0.782	S	S	*	*				84.2	151.5	72.5	0	0	0	0	0	115
227	P	50.9	Low	34.8	Very low	121 Å²	121	131.4 Å²	131.4	79%	0.786	78%	0.784	S	S	*	*			trans	-112.5	-147	-160.4	43	-27.8	0	0	0	110.9
228	P	51.3	Low	35.3	Very low	101 Å²	101	128.3 Å²	128.3	66%	0.656	77%	0.773	S	S	*	*			cis	-142.2	-166	-6.2	32.2	-6.8	0	0	0	116.7
229	T	31.9	Very low	34.9	Very low	130 Å²	130	129.5 Å²	129.5	80%	0.798	78%	0.775	S	S	*	*			trans	75.6	152.4	149.7	24.5	0	0	0	0	119.4
230	A	32.6	Very low	34.7	Very low	78 Å²	78	127 Å²	127	65%	0.645	77%	0.772	S	S	*	*			cis	-151.1	152.3	1.8	0	0	0	0	0	115
231	Q	29.1	Very low	34.3	Very low	172 Å²	172	126.5 Å²	126.5	80%	0.804	77%	0.77	S	S	*	*			trans	41.5	120.1	135.6	-63.2	172.4	-11.7	0	0	124
232	L	30.7	Very low	33.7	Very low	158 Å²	158	124.9 Å²	124.9	83%	0.827	77%	0.765	S	S	*	*				55.3	162	120.9	-57.8	173.6	0	0	0	121.9
233	P	40.3	Very low	33.6	Very low	115 Å²	115	128.2 Å²	128.2	75%	0.747	77%	0.765	S	S	*	*			cis	-139.4	-168.5	-45.3	41.1	-23.9	0	0	0	114
234	A	30	Very low	33.4	Very low	82 Å²	82	128.6 Å²	128.6	68%	0.678	76%	0.762	S	S	*	*			trans	99.5	112.6	148.7	0	0	0	0	0	122.4
235	T	30.1	Very low	33.1	Very low	146 Å²	146	130.7 Å²	130.7	90%	0.896	77%	0.773	S	S	*	*			trans	61.8	113.2	139.1	53.5	0	0	0	0	122.7
236	G	32.1	Very low	32.6	Very low	82 Å²	82	130.1 Å²	130.1	85%	0.845	76%	0.764	S	S	*	*			trans	-172.7	127.5	157	0	0	0	0	0	111.4
237	Q	31	Very low	32.5	Very low	190 Å²	190	136.7 Å²	136.7	89%	0.888	77%	0.77	S	S	*	*			trans	-123.7	174.3	178.3	-108.8	-163.1	6.6	0	0	109.2
238	P	40.8	Very low	31.3	Very low	93 Å²	93	136.9 Å²	136.9	60%	0.604	76%	0.76	S	S	*	*			cis	-136.6	-170.9	3.3	28.5	-3.5	0	0	0	115.6
239	T	26.9	Very low	30.3	Very low	130 Å²	130	140 Å²	140	80%	0.798	77%	0.769	S	S	*	*			trans	74.6	149.4	161.6	78.8	0	0	0	0	117.5
240	V	31.3	Very low	30.1	Very low	117 Å²	117	137.7 Å²	137.7	71%	0.709	76%	0.758	S	S	*	*			cis	-141.5	160.5	5.8	-82.8	0	0	0	0	112.6
241	N	27.7	Very low	29.9	Very low	142 Å²	142	142.7 Å²	142.7	76%	0.759	77%	0.768	S	S	*	*			trans	63.7	138.4	150.8	-65.7	-0.5	0	0	0	123.6
242	N	26.7	Very low	29.9	Very low	137 Å²	137	139.7 Å²	139.7	73%	0.733	77%	0.773	S	S	*	*			trans	54.8	146.9	152.9	-81.5	49	0	0	0	119.7
243	D	29.6	Very low	29.8	Very low	143 Å²	143	140.7 Å²	140.7	77%	0.765	77%	0.773	S	S	*	*			cis	-156.8	-169.1	40.5	-122.4	-20.3	0	0	0	115.2
244	Y	28.7	Very low	29.3	Very low	215 Å²	215	141.9 Å²	141.9	84%	0.843	77%	0.773	S	S	*	*			trans	-72	151.4	-173.4	-99.1	-111.6	0	0	0	118.3
245	S	24.8	Very low	29.3	Very low	114 Å²	114	144.5 Å²	144.5	80%	0.797	78%	0.78	S	S	*	*			trans	-160.9	118.6	141.9	-79.5	0	0	0	0	108.6
246	Y	25.9	Very low	29.1	Very low	171 Å²	171	142.2 Å²	142.2	67%	0.671	77%	0.77	S	S	*	*				69	111.8	71.7	-165.1	-80.9	0	0	0	114.1	H248	Y246-H248 HydrophobicContact CE1-CB 4.15Å
247	Y	30.5	Very low	29	Very low	234 Å²	234	143.2 Å²	143.2	92%	0.918	76%	0.764	S	S	*	*			trans	-146.1	156.2	148.6	-92.4	-62.9	0	0	0	112.1
248	H	26.5	Very low	28.8	Very low	124 Å²	124	142.9 Å²	142.9	57%	0.574	76%	0.763	S	S	*	*			trans	-112.5	138.5	-168.6	176.6	-73.3	0	0	0	109.7	Y246 S250	Y246-H248 HydrophobicContact CE1-CB 4.15Å; H248-S250 PolarHBondContact CE1-OG 2.87Å; H248-S250 VanDerWaalsContact CE1-OG 3.27Å; H248-S250 PolarHBondContact ND1-OG 2.8Å
249	I	30.1	Very low	28.5	Very low	168 Å²	168	143.5 Å²	143.5	86%	0.862	76%	0.764	S	S	*	*			trans	-106.6	126.2	173.3	-60.7	177.7	0	0	0	108.8
250	S	27	Very low	29	Very low	81 Å²	81	143.3 Å²	143.3	57%	0.566	77%	0.765	S	S	*	*			trans	-104.5	132	173.8	-60.1	0	0	0	0	111.1	H248	H248-S250 PolarHBondContact CE1-OG 2.87Å; H248-S250 VanDerWaalsContact CE1-OG 3.27Å; H248-S250 PolarHBondContact ND1-OG 2.8Å
251	E	27.4	Very low	29	Very low	183 Å²	183	147.4 Å²	147.4	86%	0.855	77%	0.77	S	S	*	*				43.9	122	124.9	-161.2	161	-126.4	0	0	119.7
252	A	29	Very low	29.6	Very low	108 Å²	108	146.2 Å²	146.2	89%	0.893	77%	0.769	S	S	*	*			trans	-136.7	136.2	164.3	0	0	0	0	0	110.1
253	Q	30.1	Very low	29.8	Very low	180 Å²	180	146 Å²	146	84%	0.841	77%	0.772	S	S	*	*			trans	-128.2	115.8	-171	-159.4	174.9	27.4	0	0	111.1
254	N	29.3	Very low	29.8	Very low	140 Å²	140	143.1 Å²	143.1	75%	0.749	77%	0.769	S	S	*	*			trans	31.5	117.7	150.7	-176.3	37.2	0	0	0	120.5
255	V	29.9	Very low	29.9	Very low	136 Å²	136	141.4 Å²	141.4	82%	0.824	77%	0.774	S	S	*	*				-168.4	131	119.2	-95.6	0	0	0	0	116.1
256	S	26.1	Very low	30.3	Very low	98 Å²	98	143.4 Å²	143.4	69%	0.685	77%	0.77	S	S	*	*			trans	66.7	119.6	133.3	-146.6	0	0	0	0	125.7
257	S	29.2	Very low	30.5	Very low	103 Å²	103	141.6 Å²	141.6	72%	0.72	78%	0.777	S	S	*	*			trans	62.6	112.3	130.3	65	0	0	0	0	124.3
258	H	27.4	Very low	30.6	Very low	184 Å²	184	135.5 Å²	135.5	85%	0.852	76%	0.76	S	S	*	*				-157.9	164.6	110.6	-155	-91.5	0	0	0	110.9
259	V	34.1	Very low	30.8	Very low	105 Å²	105	137.1 Å²	137.1	64%	0.636	77%	0.771	S	S	*	*			trans	-128.3	147.5	-179	174.4	0	0	0	0	110.9
260	P	38	Very low	31	Very low	126 Å²	126	134.6 Å²	134.6	82%	0.818	76%	0.763	S	S	*	*				-134.8	155.7	129.7	24.1	-5.7	0	0	0	113.9
261	Y	30.2	Very low	31.4	Very low	204 Å²	204	137.4 Å²	137.4	80%	0.8	77%	0.772	S	S	*	*			trans	-82.7	164.9	178	-127.2	-113.6	0	0	0	111.7
262	P	40.3	Very low	31.6	Very low	116 Å²	116	135.3 Å²	135.3	75%	0.753	77%	0.771	S	S	*	*				-145	142.1	107.4	36.5	-22.1	0	0	0	117.1
263	V	31.7	Very low	31.8	Very low	132 Å²	132	135.2 Å²	135.2	80%	0.8	76%	0.761	S	S	*	*			trans	34.3	128.3	146.9	-169.4	0	0	0	0	120.6
264	A	30.8	Very low	31.8	Very low	84 Å²	84	134.5 Å²	134.5	69%	0.694	76%	0.758	S	S	*	*			trans	-90	163.7	176.3	0	0	0	0	0	114.4
265	L	30.5	Very low	32.2	Very low	179 Å²	179	134 Å²	134	94%	0.937	76%	0.762	S	S	*	*			trans	-106	124.6	155.6	-73.8	176.7	0	0	0	109.6
266	H	31.5	Very low	32.3	Very low	155 Å²	155	131 Å²	131	72%	0.718	75%	0.752	S	S	*	*			trans	-102.2	113.3	-179.9	164.8	-81.6	0	0	0	109.9	N268	H266-N268 WeakPolarHBondContact CE1-CB 3.31Å; H266-N268 WeakPolarHBondContact NE2-CB 3.31Å
267	V	31.1	Very low	32.8	Very low	134 Å²	134	130.7 Å²	130.7	81%	0.812	76%	0.756	S	S	*	*			trans	-117.8	119.3	165	-177.8	0	0	0	0	107.7
268	N	32.3	Very low	33.2	Very low	105 Å²	105	130.1 Å²	130.1	56%	0.561	76%	0.757	S	S	*	*			trans	-130.6	100.9	-175.6	-174.6	-5.4	0	0	0	107.8	H266	H266-N268 WeakPolarHBondContact CE1-CB 3.31Å; H266-N268 WeakPolarHBondContact NE2-CB 3.31Å
269	I	31.8	Very low	33.5	Very low	158 Å²	158	125.2 Å²	125.2	81%	0.81	75%	0.748	S	S	*	*			trans	-114.9	111.5	171.1	-64.4	-177.9	0	0	0	106.8
270	V	32.6	Very low	33.7	Very low	116 Å²	116	128.1 Å²	128.1	70%	0.703	76%	0.758	S	S	*	*			trans	-76.3	163.4	-175	-176.8	0	0	0	0	110.2
271	N	35.4	Very low	33.6	Very low	140 Å²	140	130.6 Å²	130.6	75%	0.749	76%	0.759	S	S	*	*			trans	90.8	70.8	157.9	-152.4	23.7	0	0	0	117.9
272	V	33.1	Very low	33.7	Very low	139 Å²	139	131.9 Å²	131.9	84%	0.842	76%	0.763	S	S	*	*			trans	-127.8	121.6	147.4	-178.7	0	0	0	0	108.1
273	P	31.8	Very low	33.4	Very low	105 Å²	105	133.9 Å²	133.9	68%	0.682	76%	0.762	S	S	*	*			trans	-70.7	136.4	-178.7	-19.9	32.6	0	0	0	113.1
274	Q	31.4	Very low	33.6	Very low	166 Å²	166	139.3 Å²	139.3	78%	0.776	77%	0.769	S	S	*	*			trans	-75.3	136.2	158.2	-69.3	-163.3	26.1	0	0	109.6
275	P	36.4	Very low	34	Very low	128 Å²	128	141.2 Å²	141.2	83%	0.831	77%	0.768	S	S	*	*				-144.1	93	116.1	33.5	-17	0	0	0	112.3
276	A	33.5	Very low	34.4	Very low	75 Å²	75	140.2 Å²	140.2	62%	0.62	76%	0.764	S	S	*	*			trans	-132.9	-16.4	175.3	0	0	0	0	0	114.9	A278 A279	A276-A278 PolarHBondContact O-N 2.96Å; A276-A278 VanDerWaalsContact O-N 3.11Å; A276-A279 PolarHBondContact O-N 3.46Å
277	A	36.1	Very low	35.2	Very low	91 Å²	91	137 Å²	137	75%	0.752	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-13.6	-178.3	0	0	0	0	0	114.7
278	A	37	Very low	36.8	Very low	90 Å²	90	134.3 Å²	134.3	74%	0.744	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	4.6	-179.9	0	0	0	0	0	114.6	A276	A276-A278 PolarHBondContact O-N 2.96Å; A276-A278 VanDerWaalsContact O-N 3.11Å
279	A	35	Very low	38.6	Very low	81 Å²	81	134.3 Å²	134.3	67%	0.669	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-12.2	-171.7	0	0	0	0	0	115.4	A276	A276-A279 PolarHBondContact O-N 3.46Å
280	I	38.4	Very low	40.5	Very low	166 Å²	166	131.7 Å²	131.7	85%	0.851	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	32	-174.7	-35.8	-176.4	0	0	0	112.2
281	Q	35	Very low	42.3	Very low	179 Å²	179	130.3 Å²	130.3	84%	0.836	70%	0.704	S	S	*	*			trans	-134.5	74.2	167.8	-76	-168.3	-13.3	0	0	111.3
282	R	32.1	Very low	44.5	Very low	231 Å²	231	127.7 Å²	127.7	87%	0.872	69%	0.688	S	S	*	*	S	Bend	trans	-139	106.3	163.4	-71.2	-162.7	176	-151.6	-4.2	111.9
283	H	34.7	Very low	46.8	Very low	158 Å²	158	127.8 Å²	127.8	73%	0.731	68%	0.677	S	S	*	*			trans	52.9	76	162.7	-63.8	-97.2	0	0	0	117.2
284	Y	34.9	Very low	49.2	Very low	245 Å²	245	128.4 Å²	128.4	96%	0.961	67%	0.665	S	S	*	*				-83.6	106.5	119.5	-84.9	-87.7	0	0	0	106.5
285	N	39.1	Very low	51.9	Low	124 Å²	124	124.2 Å²	124.2	66%	0.663	65%	0.648	S	S	*	*			trans	-150	80.7	174.8	-134.1	-23.5	0	0	0	107.8
286	D	40.2	Very low	54.2	Low	159 Å²	159	123.6 Å²	123.6	85%	0.85	63%	0.632	S	S	*	*			trans	-151.8	55.5	169.3	-157.4	1.2	0	0	0	105.1	D288	D286-D288 PolarHBondContact O-N 2.96Å; D286-D288 VanDerWaalsContact O-N 3.13Å
287	E	47.2	Very low	56.9	Low	87 Å²	87	125.8 Å²	125.8	41%	0.407	63%	0.629	S	S	.	*			trans	-70.3	103.7	171.5	-79.7	-63.1	104.6	0	0	107.3	P289 K291	E287-P289 VanDerWaalsContact O-N 3.16Å; E287-K291 IonicContact OE1-NZ 3.6Å; E287-K291 PolarHBondContact OE1-NZ 3.04Å; E287-K291 IonicContact OE2-NZ 3.61Å; E287-K291 PolarHBondContact OE2-NZ 3.26Å
288	D	64.9	Low	59.4	Low	77 Å²	77	127.4 Å²	127.4	41%	0.412	63%	0.625	S	S	.	*			trans	-44.5	119.3	160.9	164.5	14.9	0	0	0	108.5	D286 E290 K291 E292	D286-D288 PolarHBondContact O-N 2.96Å; D286-D288 VanDerWaalsContact O-N 3.13Å; D288-E290 PolarHBondContact O-N 3.26Å; D288-E290 VanDerWaalsContact O-N 3.11Å; D288-E290 WeakPolarHBondContact OD1-CA 3.1Å; D288-E290 VanDerWaalsContact OD1-CB 3.26Å; D288-E290 WeakPolarHBondContact OD1-CB 3.21Å; D288-E290 PolarHBondContact OD1-N 3.23Å; D288-K291 HydrophobicContact CB-CB 3.8Å; D288-K291 WeakPolarHBondContact O-CA 3.46Å; D288-K291 VanDerWaalsContact O-CB 3.27Å; D288-K291 WeakPolarHBondContact O-CB 3.46Å; D288-K291 PolarHBondContact O-N 3.15Å; D288-K291 PolarHBondContact OD2-N 3.09Å; D288-E292 PolarHBondContact O-N 2.73Å
289	P	70.8	Confident	61.8	Low	105 Å²	105	128.7 Å²	128.7	68%	0.682	62%	0.615	S	S	*	*	H	α-helix	trans	-62.5	-23.2	-177.3	25.8	-34.6	0	0	0	111.6	E287 K293	E287-P289 VanDerWaalsContact O-N 3.16Å; P289-K293 VanDerWaalsContact O-CB 3.27Å; P289-K293 WeakPolarHBondContact O-CB 3.47Å; P289-K293 PolarHBondContact O-N 2.88Å
290	E	70.9	Confident	64.3	Low	104 Å²	104	130.3 Å²	130.3	49%	0.486	61%	0.612	S	S	.	*	H	α-helix	trans	-82.4	-15.9	174.2	-143.3	-174.7	-131.9	0	0	112.7	D288 R294	D288-E290 PolarHBondContact O-N 3.26Å; D288-E290 VanDerWaalsContact O-N 3.11Å; D288-E290 WeakPolarHBondContact OD1-CA 3.1Å; D288-E290 VanDerWaalsContact OD1-CB 3.26Å; D288-E290 WeakPolarHBondContact OD1-CB 3.21Å; D288-E290 PolarHBondContact OD1-N 3.23Å; E290-R294 VanDerWaalsContact CD-NH2 3.34Å; E290-R294 VanDerWaalsContact O-CD 3.3Å; E290-R294 WeakPolarHBondContact O-CD 3.23Å; E290-R294 WeakPolarHBondContact O-CG 3.37Å; E290-R294 PolarHBondContact O-N 3.26Å; E290-R294 PolarHBondContact O-NH1 2.84Å; E290-R294 IonicContact OE2-CZ 3.31Å; E290-R294 VanDerWaalsContact OE2-CZ 3.23Å; E290-R294 IonicContact OE2-NH1 3.11Å; E290-R294 PolarHBondContact OE2-NH1 2.85Å; E290-R294 IonicContact OE2-NH2 3.6Å; E290-R294 PolarHBondContact OE2-NH2 3.47Å
291	K	69.9	Low	66.5	Low	86 Å²	86	127.8 Å²	127.8	37%	0.374	60%	0.6	S	S	.	*	H	α-helix	trans	-78.7	-46.2	164.8	173.6	178.5	170.7	-78.9	0	110.8	E287 D288 K293 R294 I295	E287-K291 IonicContact OE1-NZ 3.6Å; E287-K291 PolarHBondContact OE1-NZ 3.04Å; E287-K291 IonicContact OE2-NZ 3.61Å; E287-K291 PolarHBondContact OE2-NZ 3.26Å; D288-K291 HydrophobicContact CB-CB 3.8Å; D288-K291 WeakPolarHBondContact O-CA 3.46Å; D288-K291 VanDerWaalsContact O-CB 3.27Å; D288-K291 WeakPolarHBondContact O-CB 3.46Å; D288-K291 PolarHBondContact O-N 3.15Å; D288-K291 PolarHBondContact OD2-N 3.09Å; K291-K293 VanDerWaalsContact C-N 3.3Å; K291-K293 PolarHBondContact O-N 3.31Å; K291-R294 PolarHBondContact O-N 2.99Å; K291-I295 HydrophobicContact CG-CD1 3.97Å; K291-I295 WeakPolarHBondContact O-CG1 3.43Å; K291-I295 PolarHBondContact O-N 2.81Å
292	E	81.6	Confident	68.9	Low	85 Å²	85	125.2 Å²	125.2	40%	0.397	59%	0.591	S	S	.	*	H	α-helix	trans	-62.2	-40.5	177	-163.2	-171.3	145.1	0	0	111.1	D288 R294 I295 K296	D288-E292 PolarHBondContact O-N 2.73Å; E292-R294 PolarHBondContact O-N 3.23Å; E292-I295 PolarHBondContact O-N 3.31Å; E292-K296 HydrophobicContact CG-CD 4.44Å; E292-K296 PolarHBondContact O-N 3.18Å; E292-K296 WeakPolarHBondContact OE1-CE 3.47Å; E292-K296 IonicContact OE1-NZ 2.63Å; E292-K296 PolarHBondContact OE1-NZ 3.08Å
293	K	82.5	Confident	70.6	Confident	141 Å²	141	119.1 Å²	119.1	61%	0.613	57%	0.574	S	S	*	*	H	α-helix	trans	-56.5	-48.4	171.1	-175.6	179.9	177.5	-176.8	0	112.3	P289 K291 I295 K296 E297	P289-K293 VanDerWaalsContact O-CB 3.27Å; P289-K293 WeakPolarHBondContact O-CB 3.47Å; P289-K293 PolarHBondContact O-N 2.88Å; K291-K293 VanDerWaalsContact C-N 3.3Å; K291-K293 PolarHBondContact O-N 3.31Å; K293-I295 VanDerWaalsContact C-N 3.32Å; K293-I295 PolarHBondContact O-N 2.77Å; K293-K296 PolarHBondContact O-N 3.12Å; K293-E297 WeakPolarHBondContact O-CB 3.49Å; K293-E297 PolarHBondContact O-N 3.15Å
294	R	81.5	Confident	72.3	Confident	118 Å²	118	114.5 Å²	114.5	45%	0.445	56%	0.559	S	S	.	*	H	α-helix	trans	-65.5	-31.6	177.8	-75.3	170.6	-173	110.7	-1.4	113.2	E290 K291 E292 L298	E290-R294 VanDerWaalsContact CD-NH2 3.34Å; E290-R294 VanDerWaalsContact O-CD 3.3Å; E290-R294 WeakPolarHBondContact O-CD 3.23Å; E290-R294 WeakPolarHBondContact O-CG 3.37Å; E290-R294 PolarHBondContact O-N 3.26Å; E290-R294 PolarHBondContact O-NH1 2.84Å; E290-R294 IonicContact OE2-CZ 3.31Å; E290-R294 VanDerWaalsContact OE2-CZ 3.23Å; E290-R294 IonicContact OE2-NH1 3.11Å; E290-R294 PolarHBondContact OE2-NH1 2.85Å; E290-R294 IonicContact OE2-NH2 3.6Å; E290-R294 PolarHBondContact OE2-NH2 3.47Å; K291-R294 PolarHBondContact O-N 2.99Å; E292-R294 PolarHBondContact O-N 3.23Å; R294-L298 WeakPolarHBondContact O-CB 3.47Å; R294-L298 PolarHBondContact O-N 3.31Å
295	I	87.2	Confident	73.9	Confident	79 Å²	79	105.8 Å²	105.8	41%	0.405	53%	0.532	S	S	.	.	H	α-helix	trans	-67.4	-48.1	174.4	-70.6	165.6	0	0	0	110	K291 E292 K293 E297 L298 E299	K291-I295 HydrophobicContact CG-CD1 3.97Å; K291-I295 WeakPolarHBondContact O-CG1 3.43Å; K291-I295 PolarHBondContact O-N 2.81Å; E292-I295 PolarHBondContact O-N 3.31Å; K293-I295 VanDerWaalsContact C-N 3.32Å; K293-I295 PolarHBondContact O-N 2.77Å; I295-E297 VanDerWaalsContact C-N 3.32Å; I295-E297 PolarHBondContact O-N 3.19Å; I295-L298 WeakPolarHBondContact O-CB 3.47Å; I295-L298 PolarHBondContact O-N 3.48Å; I295-E299 WeakPolarHBondContact O-CB 3.46Å; I295-E299 PolarHBondContact O-N 3.04Å
296	K	86.4	Confident	75.4	Confident	115 Å²	115	104.7 Å²	104.7	50%	0.5	52%	0.522	S	S	.	.	H	α-helix	trans	-64.2	-35.1	176.6	-73.5	170.2	169.8	171.7	0	112.7	E292 K293 E299 L300	E292-K296 HydrophobicContact CG-CD 4.44Å; E292-K296 PolarHBondContact O-N 3.18Å; E292-K296 WeakPolarHBondContact OE1-CE 3.47Å; E292-K296 IonicContact OE1-NZ 2.63Å; E292-K296 PolarHBondContact OE1-NZ 3.08Å; K293-K296 PolarHBondContact O-N 3.12Å; K296-E299 PolarHBondContact O-N 3.42Å; K296-L300 VanDerWaalsContact O-CB 3.28Å; K296-L300 WeakPolarHBondContact O-CB 3.42Å; K296-L300 PolarHBondContact O-N 3.08Å
297	E	89.6	Confident	76.5	Confident	121 Å²	121	101.9 Å²	101.9	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-64.2	-43.8	171.8	-173.1	176.6	-176.7	0	0	111.6	K293 I295 L301	K293-E297 WeakPolarHBondContact O-CB 3.49Å; K293-E297 PolarHBondContact O-N 3.15Å; I295-E297 VanDerWaalsContact C-N 3.32Å; I295-E297 PolarHBondContact O-N 3.19Å; E297-L301 WeakPolarHBondContact O-CB 3.39Å; E297-L301 PolarHBondContact O-N 2.95Å
298	L	88.2	Confident	77.6	Confident	125 Å²	125	103.9 Å²	103.9	65%	0.654	52%	0.517	S	S	*	.	H	α-helix	trans	-64.5	-42.5	173.7	-109.3	72.9	0	0	0	112.8	R294 I295 L301 L302	R294-L298 WeakPolarHBondContact O-CB 3.47Å; R294-L298 PolarHBondContact O-N 3.31Å; I295-L298 WeakPolarHBondContact O-CB 3.47Å; I295-L298 PolarHBondContact O-N 3.48Å; L298-L301 PolarHBondContact O-N 3.15Å; L298-L302 WeakPolarHBondContact O-CB 3.47Å; L298-L302 PolarHBondContact O-N 2.97Å
299	E	87.5	Confident	77	Confident	116 Å²	116	106.9 Å²	106.9	54%	0.542	53%	0.532	S	S	.	.	H	α-helix	trans	-64.4	-43.8	179.9	-173.7	168.8	-145.5	0	0	111	I295 K296 L301 L302 M303	I295-E299 WeakPolarHBondContact O-CB 3.46Å; I295-E299 PolarHBondContact O-N 3.04Å; K296-E299 PolarHBondContact O-N 3.42Å; E299-L301 PolarHBondContact O-N 3.5Å; E299-L302 PolarHBondContact O-N 2.91Å; E299-M303 HydrophobicContact CG-SD 4.39Å; E299-M303 WeakPolarHBondContact O-CG 3.49Å; E299-M303 PolarHBondContact O-N 3.47Å
300	L	87.2	Confident	76.2	Confident	116 Å²	116	108.3 Å²	108.3	61%	0.607	53%	0.527	S	S	*	.	H	α-helix	trans	-64	-37.8	173.7	-174	63.5	0	0	0	112.4	K296 M303 S304	K296-L300 VanDerWaalsContact O-CB 3.28Å; K296-L300 WeakPolarHBondContact O-CB 3.42Å; K296-L300 PolarHBondContact O-N 3.08Å; L300-M303 PolarHBondContact O-N 2.89Å; L300-S304 WeakPolarHBondContact O-CB 3.27Å; L300-S304 PolarHBondContact O-N 3.35Å; L300-S304 PolarHBondContact O-OG 3.27Å
301	L	85.7	Confident	75.1	Confident	113 Å²	113	106.2 Å²	106.2	59%	0.592	53%	0.534	S	S	*	.	H	α-helix	trans	-69.2	-32.9	175.2	-159.3	82.6	0	0	0	112.4	E297 L298 E299 S304 T305	E297-L301 WeakPolarHBondContact O-CB 3.39Å; E297-L301 PolarHBondContact O-N 2.95Å; L298-L301 PolarHBondContact O-N 3.15Å; E299-L301 PolarHBondContact O-N 3.5Å; L301-S304 WeakPolarHBondContact CA-OG 3.47Å; L301-S304 PolarHBondContact O-OG 3.27Å; L301-S304 VanDerWaalsContact O-OG 3.06Å; L301-T305 WeakPolarHBondContact O-CG2 3.31Å; L301-T305 PolarHBondContact O-N 2.86Å; L301-T305 VanDerWaalsContact O-N 3.13Å; L301-T305 PolarHBondContact O-OG1 3.02Å
302	L	85.1	Confident	74	Confident	124 Å²	124	109.7 Å²	109.7	65%	0.649	55%	0.552	S	S	*	*	H	α-helix	trans	-71.7	-41.9	175.4	-159	72.6	0	0	0	110.7	L298 E299 T305 E306	L298-L302 WeakPolarHBondContact O-CB 3.47Å; L298-L302 PolarHBondContact O-N 2.97Å; E299-L302 PolarHBondContact O-N 2.91Å; L302-T305 PolarHBondContact O-N 3.42Å; L302-T305 PolarHBondContact O-OG1 3.38Å; L302-E306 WeakPolarHBondContact O-CB 3.44Å; L302-E306 PolarHBondContact O-N 2.85Å
303	M	67.3	Low	72.2	Confident	104 Å²	104	114.4 Å²	114.4	51%	0.512	57%	0.574	S	S	.	*	H	α-helix	trans	-65.5	-39	174	-74.7	169	53.5	0	0	112.6	E299 L300 N307	E299-M303 HydrophobicContact CG-SD 4.39Å; E299-M303 WeakPolarHBondContact O-CG 3.49Å; E299-M303 PolarHBondContact O-N 3.47Å; L300-M303 PolarHBondContact O-N 2.89Å; M303-N307 WeakPolarHBondContact O-CB 3.48Å; M303-N307 PolarHBondContact O-N 3.41Å; M303-N307 PolarHBondContact O-ND2 3.16Å
304	S	71.1	Confident	70.3	Confident	61 Å²	61	111.6 Å²	111.6	43%	0.427	58%	0.577	S	S	.	*	H	α-helix	trans	-67.6	-41.1	177.2	66.8	0	0	0	0	112	L300 L301 N307 E308	L300-S304 WeakPolarHBondContact O-CB 3.27Å; L300-S304 PolarHBondContact O-N 3.35Å; L300-S304 PolarHBondContact O-OG 3.27Å; L301-S304 WeakPolarHBondContact CA-OG 3.47Å; L301-S304 PolarHBondContact O-OG 3.27Å; L301-S304 VanDerWaalsContact O-OG 3.06Å; S304-N307 PolarHBondContact O-N 2.89Å; S304-E308 PolarHBondContact O-N 3.45Å
305	T	67.8	Low	67.8	Low	62 Å²	62	114.2 Å²	114.2	38%	0.38	60%	0.599	S	S	.	*	H	α-helix	trans	-71.3	-32.3	176.6	49.5	0	0	0	0	113.4	L301 L302 L309	L301-T305 WeakPolarHBondContact O-CG2 3.31Å; L301-T305 PolarHBondContact O-N 2.86Å; L301-T305 VanDerWaalsContact O-N 3.13Å; L301-T305 PolarHBondContact O-OG1 3.02Å; L302-T305 PolarHBondContact O-N 3.42Å; L302-T305 PolarHBondContact O-OG1 3.38Å; T305-L309 WeakPolarHBondContact O-CG 3.47Å; T305-L309 PolarHBondContact O-N 3.13Å; T305-L309 VanDerWaalsContact O-N 3.14Å
306	E	71.7	Confident	65.7	Low	100 Å²	100	115.3 Å²	115.3	47%	0.467	61%	0.611	S	S	.	*	H	α-helix	trans	-66.4	-40.5	169.8	-164.7	-170.8	142.1	0	0	111.7	L302 L309 K310	L302-E306 WeakPolarHBondContact O-CB 3.44Å; L302-E306 PolarHBondContact O-N 2.85Å; E306-L309 PolarHBondContact O-N 3.47Å; E306-K310 PolarHBondContact O-N 2.74Å; E306-K310 WeakPolarHBondContact OE1-CE 3.23Å; E306-K310 IonicContact OE1-NZ 3.44Å; E306-K310 PolarHBondContact OE1-NZ 3.24Å
307	N	63	Low	63.2	Low	101 Å²	101	115.9 Å²	115.9	54%	0.54	62%	0.624	S	S	.	*	H	α-helix	trans	-68.1	-36.7	177.1	-72.9	-22.2	0	0	0	112.3	M303 S304 K310 G311	M303-N307 WeakPolarHBondContact O-CB 3.48Å; M303-N307 PolarHBondContact O-N 3.41Å; M303-N307 PolarHBondContact O-ND2 3.16Å; S304-N307 PolarHBondContact O-N 2.89Å; N307-K310 PolarHBondContact O-N 3.19Å; N307-G311 PolarHBondContact O-N 2.95Å
308	E	69.1	Low	60.3	Low	129 Å²	129	119 Å²	119	60%	0.603	64%	0.639	S	S	*	*	H	α-helix	trans	-64	-40.3	173.5	-169.8	175.9	-175.5	0	0	111.7	S304 G311	S304-E308 PolarHBondContact O-N 3.45Å; E308-G311 PolarHBondContact O-N 2.89Å
309	L	53.6	Low	57.5	Low	140 Å²	140	119.7 Å²	119.7	73%	0.733	64%	0.643	S	S	*	*	H	α-helix	trans	-67.7	-33.1	175	-77	167.3	0	0	0	113.3	T305 E306	T305-L309 WeakPolarHBondContact O-CG 3.47Å; T305-L309 PolarHBondContact O-N 3.13Å; T305-L309 VanDerWaalsContact O-N 3.14Å; E306-L309 PolarHBondContact O-N 3.47Å
310	K	53.1	Low	54.7	Low	134 Å²	134	122.4 Å²	122.4	58%	0.583	66%	0.656	S	S	*	*	H	α-helix	trans	-74.6	-34.5	172.2	-79.1	168.9	171.3	167.2	0	112.7	E306 N307 Q312 Q313	E306-K310 PolarHBondContact O-N 2.74Å; E306-K310 WeakPolarHBondContact OE1-CE 3.23Å; E306-K310 IonicContact OE1-NZ 3.44Å; E306-K310 PolarHBondContact OE1-NZ 3.24Å; N307-K310 PolarHBondContact O-N 3.19Å; K310-Q312 PolarHBondContact O-N 2.95Å; K310-Q313 PolarHBondContact O-N 3.44Å
311	G	47.9	Very low	51.9	Low	61 Å²	61	122.8 Å²	122.8	63%	0.629	66%	0.663	S	S	*	*	H	α-helix	trans	-63.4	-20.1	-177.2	0	0	0	0	0	115.1	N307 E308	N307-G311 PolarHBondContact O-N 2.95Å; E308-G311 PolarHBondContact O-N 2.89Å
312	Q	46.4	Very low	49.1	Very low	158 Å²	158	123 Å²	123	74%	0.738	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	2.8	-179.4	-62.1	-169.4	15.5	0	0	114.8	K310	K310-Q312 PolarHBondContact O-N 2.95Å
313	Q	45	Very low	46.3	Very low	185 Å²	185	121.5 Å²	121.5	86%	0.864	67%	0.672	S	S	*	*	S	Bend	trans	-102.4	47.5	177.7	-69.1	-162	-4.5	0	0	114.6	K310	K310-Q313 PolarHBondContact O-N 3.44Å
314	A	41	Very low	44.3	Very low	82 Å²	82	126.5 Å²	126.5	68%	0.678	69%	0.687	S	S	*	*			trans	-152.4	112.1	167.6	0	0	0	0	0	113.8
315	L	30.9	Very low	42.7	Very low	173 Å²	173	127.9 Å²	127.9	91%	0.906	69%	0.694	S	S	*	*			trans	177.1	154.9	132.1	-92.9	173.8	0	0	0	109.9
316	P	41.1	Very low	40.9	Very low	102 Å²	102	127.8 Å²	127.8	66%	0.662	71%	0.706	S	S	*	*			trans	-113.1	150	-157.9	41.1	-34.5	0	0	0	117.3
317	T	35.5	Very low	38.8	Very low	126 Å²	126	134.1 Å²	134.1	77%	0.773	73%	0.726	S	S	*	*			trans	35.9	119.9	144.8	61.3	0	0	0	0	121.5
318	Q	28.1	Very low	37.1	Very low	188 Å²	188	137 Å²	137	88%	0.879	74%	0.736	S	S	*	*				-159	170.9	102	-111.4	-170.2	5.8	0	0	112.4
319	N	29.1	Very low	35.1	Very low	139 Å²	139	136.2 Å²	136.2	74%	0.743	75%	0.745	S	S	*	*			trans	-113.5	-175.7	-169.1	-79.8	-62.3	0	0	0	112.8
320	H	30.1	Very low	33.8	Very low	173 Å²	173	135.1 Å²	135.1	80%	0.801	74%	0.744	S	S	*	*			trans	97.9	124.1	166.9	-57.1	-67.9	0	0	0	116.6
321	T	27.9	Very low	32.5	Very low	123 Å²	123	135.7 Å²	135.7	76%	0.755	76%	0.758	S	S	*	*			cis	-159.7	172.8	-19	-27.9	0	0	0	0	110.3
322	C	27.2	Very low	31.6	Very low	117 Å²	117	139.8 Å²	139.8	79%	0.791	77%	0.765	S	S	*	*			trans	78.6	119.4	170.7	-151.4	0	0	0	0	113.8
323	S	24.5	Very low	31	Very low	93 Å²	93	136.1 Å²	136.1	65%	0.65	76%	0.761	S	S	*	*			cis	-161.5	-178.4	3.8	-118	0	0	0	0	109.8
324	Y	25.3	Very low	30.2	Very low	209 Å²	209	133.4 Å²	133.4	82%	0.82	75%	0.753	S	S	*	*			cis	-149.2	149.4	12.7	-159.9	-102	0	0	0	110
325	P	38.2	Very low	29.7	Very low	90 Å²	90	137 Å²	137	58%	0.584	76%	0.755	S	S	*	*			trans	-84	165.1	177.3	34.9	-36.2	0	0	0	113.2
326	G	29.7	Very low	29.6	Very low	61 Å²	61	135.5 Å²	135.5	63%	0.629	75%	0.753	S	S	*	*			cis	111.7	85.4	6.8	0	0	0	0	0	112.2
327	W	27.6	Very low	29.1	Very low	233 Å²	233	141.6 Å²	141.6	88%	0.883	76%	0.763	S	S	*	*			trans	-144.6	171.7	-179.1	-90.4	88.4	0	0	0	112.9
328	H	27.1	Very low	29.9	Very low	161 Å²	161	140 Å²	140	75%	0.745	76%	0.755	S	S	*	*			trans	-125.2	174.1	-158.7	-33.4	-68.2	0	0	0	113.3
329	S	27.1	Very low	29.9	Very low	113 Å²	113	139.4 Å²	139.4	79%	0.79	75%	0.752	S	S	*	*			trans	-68.8	156.3	-176.1	-47.5	0	0	0	0	115.3
330	T	27.6	Very low	29.8	Very low	117 Å²	117	135.6 Å²	135.6	72%	0.718	75%	0.745	S	S	*	*				137.4	125.3	128.4	-57.3	0	0	0	0	114
331	T	25.6	Very low	29.7	Very low	145 Å²	145	134.1 Å²	134.1	89%	0.89	74%	0.744	S	S	*	*			trans	-167.7	-178.6	139.5	11.4	0	0	0	0	110.8
332	I	29.4	Very low	29.8	Very low	148 Å²	148	135 Å²	135	76%	0.759	75%	0.749	S	S	*	*			trans	-144.7	155.4	-131.5	-81.5	-76.5	0	0	0	112.7
333	A	32	Very low	29.8	Very low	81 Å²	81	133.4 Å²	133.4	67%	0.669	74%	0.744	S	S	*	*			trans	73.9	153.1	160.6	0	0	0	0	0	118.3
334	D	28.3	Very low	31.2	Very low	128 Å²	128	134.6 Å²	134.6	68%	0.684	75%	0.749	S	S	*	*			cis	-157.6	168	-9.4	-128.7	-36.1	0	0	0	116
335	H	31.6	Very low	31.4	Very low	158 Å²	158	130.2 Å²	130.2	73%	0.731	74%	0.744	S	S	*	*			trans	56.2	144.2	154.1	-64.9	1.1	0	0	0	119.6
336	T	29.1	Very low	30.9	Very low	141 Å²	141	130.9 Å²	130.9	87%	0.865	75%	0.751	S	S	*	*				-159.1	161.7	51	-45	0	0	0	0	112.9
337	R	30.2	Very low	30.8	Very low	230 Å²	230	133.5 Å²	133.5	87%	0.868	76%	0.758	S	S	*	*			trans	-103.3	-164.1	176.4	-128	-171.3	158.8	-171.5	-5	109.9
338	P	53.1	Low	30.8	Very low	93 Å²	93	129.7 Å²	129.7	60%	0.604	75%	0.754	S	S	*	*			cis	-137.4	-166.1	-9.6	27.2	-0	0	0	0	116
339	H	26.9	Very low	30.8	Very low	174 Å²	174	124.6 Å²	124.6	81%	0.806	75%	0.746	S	S	*	*			trans	73.7	144.3	170.5	-67.4	-80.3	0	0	0	118.5
340	G	27.4	Very low	30.9	Very low	59 Å²	59	125.1 Å²	125.1	61%	0.608	74%	0.736	S	S	*	*			cis	-175.5	166	-4.8	0	0	0	0	0	113.8
341	D	28.3	Very low	31.1	Very low	143 Å²	143	126.5 Å²	126.5	77%	0.765	73%	0.734	S	S	*	*			trans	17.5	142.3	152.9	-39.7	-50.3	0	0	0	119.7
342	T	29.2	Very low	31.3	Very low	141 Å²	141	126.6 Å²	126.6	87%	0.865	72%	0.724	S	S	*	*			cis	-161.9	169.5	37	-35.3	0	0	0	0	111.5
343	A	28.1	Very low	31.1	Very low	84 Å²	84	125.3 Å²	125.3	69%	0.694	73%	0.728	S	S	*	*			trans	-101.8	-162.7	167.5	0	0	0	0	0	111
344	P	53.9	Low	30.8	Very low	117 Å²	117	128 Å²	128	76%	0.76	74%	0.736	S	S	*	*				-119.8	-134.2	-67.9	37.2	-21.6	0	0	0	111
345	V	28.6	Very low	31.6	Very low	117 Å²	117	127.1 Å²	127.1	71%	0.709	74%	0.737	S	S	*	*			trans	79.7	120.7	175.8	-172.7	0	0	0	0	113.4
346	S	28.7	Very low	31.3	Very low	105 Å²	105	124.8 Å²	124.8	73%	0.734	74%	0.739	S	S	*	*			cis	90	158.1	26.9	-51.3	0	0	0	0	115.6
347	C	26.8	Very low	31.3	Very low	115 Å²	115	126 Å²	126	78%	0.777	74%	0.739	S	S	*	*			trans	75.1	159.2	177	-56.1	0	0	0	0	116.5
348	L	26.9	Very low	31.8	Very low	153 Å²	153	120.7 Å²	120.7	80%	0.801	73%	0.734	S	S	*	*			cis	-179.2	174.3	-40.7	-113.9	160.7	0	0	0	107.8
349	G	27.9	Very low	30.7	Very low	55 Å²	55	120.6 Å²	120.6	57%	0.567	74%	0.742	S	S	*	*			trans	95.3	107.6	-179.8	0	0	0	0	0	112.7
350	E	29.6	Very low	30.7	Very low	123 Å²	123	119.8 Å²	119.8	58%	0.575	74%	0.743	S	S	*	*			cis	71.4	144.3	46.3	-47.1	173.6	80.5	0	0	112	H352	E350-H352 IonicContact OE1-NE2 3.72Å; E350-H352 PolarHBondContact OE1-NE2 3.13Å
351	H	31.4	Very low	31.3	Very low	146 Å²	146	122.3 Å²	122.3	68%	0.676	75%	0.749	S	S	*	*			cis	-150.8	175.4	27.6	-58	-88	0	0	0	109.7
352	H	29.1	Very low	31.2	Very low	148 Å²	148	119 Å²	119	69%	0.685	75%	0.748	S	S	*	*			cis	-173.1	174.8	-25.9	-86.1	-14.5	0	0	0	108.7	E350	E350-H352 IonicContact OE1-NE2 3.72Å; E350-H352 PolarHBondContact OE1-NE2 3.13Å
353	S	26.7	Very low	31.1	Very low	120 Å²	120	117.5 Å²	117.5	84%	0.839	74%	0.743	S	S	*	*			trans	83.2	152.8	153.4	-58.5	0	0	0	0	123.2
354	T	24.6	Very low	31.2	Very low	137 Å²	137	121.5 Å²	121.5	84%	0.84	75%	0.753	S	S	*	*			trans	-127.3	-172.5	-174.5	3.7	0	0	0	0	110.1
355	P	44.8	Very low	30.8	Very low	110 Å²	110	121 Å²	121	71%	0.714	75%	0.749	S	S	*	*			cis	-147.6	178	22.2	45.4	-24.5	0	0	0	120.4
356	S	26	Very low	30.9	Very low	109 Å²	109	124.1 Å²	124.1	76%	0.762	76%	0.756	S	S	*	*			trans	72.7	114.3	147.3	-62.7	0	0	0	0	125.5
357	L	29.9	Very low	30.9	Very low	166 Å²	166	127.4 Å²	127.4	87%	0.869	76%	0.76	S	S	*	*			trans	30.4	153.7	133	-68.2	174	0	0	0	123
358	P	40.9	Very low	31.2	Very low	119 Å²	119	127.1 Å²	127.1	77%	0.773	76%	0.759	S	S	*	*			cis	-146.3	171.7	27.7	43.6	-23.9	0	0	0	120.7
359	A	29.1	Very low	31.2	Very low	91 Å²	91	124 Å²	124	75%	0.752	76%	0.756	S	S	*	*			trans	68.8	113.2	144.1	0	0	0	0	0	125.4
360	D	27.3	Very low	31.4	Very low	157 Å²	157	127.1 Å²	127.1	84%	0.84	77%	0.769	S	S	*	*			trans	75.2	164.3	138.6	-118.2	25.9	0	0	0	121
361	P	40.5	Very low	31.8	Very low	113 Å²	113	127.5 Å²	127.5	73%	0.734	78%	0.782	S	S	*	*				-131.4	158.4	-101.4	39.5	-22.6	0	0	0	117.7
362	G	24.8	Very low	31.9	Very low	72 Å²	72	125.1 Å²	125.1	74%	0.742	79%	0.788	S	S	*	*			trans	-180	81.9	173.2	0	0	0	0	0	119.5
363	S	28.1	Very low	32.3	Very low	110 Å²	110	129.4 Å²	129.4	77%	0.769	80%	0.798	S	S	*	*			trans	47.9	112.5	150.5	60.2	0	0	0	0	124
364	L	29.3	Very low	32.7	Very low	169 Å²	169	129.6 Å²	129.6	89%	0.885	80%	0.798	S	S	*	*			trans	67.8	159.5	144.9	-69	170.6	0	0	0	119.8
365	P	46.1	Very low	33.4	Very low	107 Å²	107	131 Å²	131	70%	0.695	80%	0.797	S	S	*	*			cis	-128.2	177	-1.1	42.8	-27.9	0	0	0	116.8
366	E	30.1	Very low	33.5	Very low	181 Å²	181	132.8 Å²	132.8	85%	0.846	80%	0.799	S	S	*	*			trans	79.5	138	145.4	-133.2	155	-152.4	0	0	124.9
367	E	30.1	Very low	34.3	Very low	174 Å²	174	134.1 Å²	134.1	81%	0.813	80%	0.802	S	S	*	*			trans	58.3	142.1	162	-106.8	-162.3	104.8	0	0	127.9
368	S	31.1	Very low	34.9	Very low	109 Å²	109	132.4 Å²	132.4	76%	0.762	79%	0.789	S	S	*	*			trans	92.7	146.9	153.8	81.5	0	0	0	0	122
369	A	28.7	Very low	34.9	Very low	89 Å²	89	133.4 Å²	133.4	74%	0.736	78%	0.784	S	S	*	*			trans	74.4	94.5	160.8	0	0	0	0	0	122.7
370	S	30.8	Very low	35.5	Very low	120 Å²	120	131.3 Å²	131.3	84%	0.839	77%	0.77	S	S	*	*				84.5	149.9	128.9	-66.6	0	0	0	0	122.6
371	P	38.6	Very low	36.5	Very low	131 Å²	131	127.5 Å²	127.5	85%	0.851	75%	0.753	S	S	*	*			trans	-118.7	90.6	-157	35.3	-16.5	0	0	0	113.5
372	A	34.3	Very low	37	Very low	96 Å²	96	126.9 Å²	126.9	79%	0.793	74%	0.743	S	S	*	*			trans	-137	7.6	-174.3	0	0	0	0	0	116.7
373	R	37.2	Very low	38.1	Very low	237 Å²	237	128.8 Å²	128.8	89%	0.894	74%	0.735	S	S	*	*			trans	-123.8	6.1	-172.7	-67.7	-166.8	178.4	-162.8	1.5	117.2	M375	R373-M375 VanDerWaalsContact C-N 3.3Å; R373-M375 PolarHBondContact O-N 2.82Å
374	C	34.4	Very low	39.1	Very low	125 Å²	125	128.4 Å²	128.4	85%	0.845	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	3.2	-176.7	-142.5	0	0	0	0	115.3
375	M	39.8	Very low	40.1	Very low	167 Å²	167	125.8 Å²	125.8	82%	0.823	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-15.2	-170.4	-73.7	-77.2	-77.8	0	0	115.4	R373	R373-M375 VanDerWaalsContact C-N 3.3Å; R373-M375 PolarHBondContact O-N 2.82Å
376	I	46.1	Very low	40.8	Very low	146 Å²	146	124.9 Å²	124.9	75%	0.749	70%	0.704	S	S	*	*	S	Bend	trans	-96.7	-15.3	-163.2	-67.7	175.8	0	0	0	114
377	V	43.5	Very low	42.2	Very low	137 Å²	137	122.8 Å²	122.8	83%	0.83	69%	0.692	S	S	*	*	S	Bend	trans	-85.6	-15	179.8	-175.9	0	0	0	0	112.6
378	H	42.8	Very low	43.6	Very low	130 Å²	130	119.2 Å²	119.2	60%	0.602	68%	0.678	S	S	*	*	S	Bend	trans	-91.3	-0.8	-169	-121.9	-62	0	0	0	116.1	T381 I382	H378-T381 PolarHBondContact O-OG1 3.07Å; H378-I382 WeakPolarHBondContact O-CD1 3.49Å; H378-I382 WeakPolarHBondContact O-CG1 3.45Å
379	Q	39.6	Very low	44.7	Very low	141 Å²	141	119.6 Å²	119.6	66%	0.659	67%	0.671	S	S	*	*	H	α-helix	trans	-81	-34.3	-173.1	-160.3	167.4	21.1	0	0	113.6	I382 L383	Q379-I382 PolarHBondContact O-N 2.93Å; Q379-L383 PolarHBondContact O-N 3.1Å
380	G	41.5	Very low	46.2	Very low	46 Å²	46	121.3 Å²	121.3	47%	0.474	67%	0.667	S	S	.	*	H	α-helix	trans	-65.2	-45.5	-179.1	0	0	0	0	0	113.4	I382 L383 D384	G380-I382 PolarHBondContact O-N 3.47Å; G380-L383 PolarHBondContact O-N 3.33Å; G380-D384 PolarHBondContact O-N 2.87Å; G380-D384 VanDerWaalsContact O-N 3.09Å
381	T	49.4	Very low	47.2	Very low	78 Å²	78	120.9 Å²	120.9	48%	0.479	65%	0.652	S	S	.	*	H	α-helix	trans	-68.6	-19.5	179.7	49.1	0	0	0	0	113.7	H378 N385	H378-T381 PolarHBondContact O-OG1 3.07Å; T381-N385 PolarHBondContact O-ND2 3.23Å
382	I	50	Low	47.8	Very low	100 Å²	100	120.9 Å²	120.9	51%	0.513	64%	0.639	S	S	.	*	H	α-helix	trans	-79.9	-42.5	172.8	-65	172.5	0	0	0	110.1	H378 Q379 G380 N385 V386	H378-I382 WeakPolarHBondContact O-CD1 3.49Å; H378-I382 WeakPolarHBondContact O-CG1 3.45Å; Q379-I382 PolarHBondContact O-N 2.93Å; G380-I382 PolarHBondContact O-N 3.47Å; I382-N385 PolarHBondContact O-N 3.46Å; I382-V386 WeakPolarHBondContact O-CG2 3.4Å; I382-V386 PolarHBondContact O-N 2.89Å
383	L	49.6	Very low	48.7	Very low	112 Å²	112	118.4 Å²	118.4	59%	0.586	62%	0.619	S	S	*	*	H	α-helix	trans	-64.4	-42.1	178.8	-73.2	171.1	0	0	0	112.7	Q379 G380 N385 V386 K387	Q379-L383 PolarHBondContact O-N 3.1Å; G380-L383 PolarHBondContact O-N 3.33Å; L383-N385 VanDerWaalsContact C-N 3.32Å; L383-N385 PolarHBondContact O-N 3.03Å; L383-V386 PolarHBondContact O-N 3.17Å; L383-K387 WeakPolarHBondContact O-CB 3.16Å; L383-K387 PolarHBondContact O-N 2.87Å
384	D	49.2	Very low	49.5	Very low	102 Å²	102	113.3 Å²	113.3	55%	0.545	61%	0.605	S	S	.	*	H	α-helix	trans	-62.7	-37.6	174.9	-89.1	-19.6	0	0	0	112.6	G380 K387 N388	G380-D384 PolarHBondContact O-N 2.87Å; G380-D384 VanDerWaalsContact O-N 3.09Å; D384-K387 PolarHBondContact O-N 2.81Å; D384-N388 WeakPolarHBondContact O-CB 3.5Å; D384-N388 PolarHBondContact O-N 3.5Å; D384-N388 PolarHBondContact O-ND2 3.45Å
385	N	50.5	Low	50.4	Low	114 Å²	114	111 Å²	111	61%	0.61	59%	0.587	S	S	*	*	H	α-helix	trans	-68.8	-38.4	176.2	-80.9	-41.5	0	0	0	112.2	T381 I382 L383 L389	T381-N385 PolarHBondContact O-ND2 3.23Å; I382-N385 PolarHBondContact O-N 3.46Å; L383-N385 VanDerWaalsContact C-N 3.32Å; L383-N385 PolarHBondContact O-N 3.03Å; N385-L389 WeakPolarHBondContact O-CB 3.49Å; N385-L389 PolarHBondContact O-N 3.22Å
386	V	60	Low	51	Low	87 Å²	87	106.9 Å²	106.9	53%	0.527	57%	0.568	S	S	.	*	H	α-helix	trans	-67.5	-38.9	174.1	172.2	0	0	0	0	111	I382 L383 L389 L390	I382-V386 WeakPolarHBondContact O-CG2 3.4Å; I382-V386 PolarHBondContact O-N 2.89Å; L383-V386 PolarHBondContact O-N 3.17Å; V386-L389 PolarHBondContact O-N 3.35Å; V386-L390 PolarHBondContact O-N 3.48Å
387	K	59	Low	51.1	Low	138 Å²	138	106.7 Å²	106.7	60%	0.6	56%	0.564	S	S	*	*	H	α-helix	trans	-63.6	-46.7	175.2	-168	-178.5	178	-172.2	0	111.9	L383 D384 L389 L390 E391	L383-K387 WeakPolarHBondContact O-CB 3.16Å; L383-K387 PolarHBondContact O-N 2.87Å; D384-K387 PolarHBondContact O-N 2.81Å; K387-L389 VanDerWaalsContact C-N 3.27Å; K387-L389 PolarHBondContact O-N 3.48Å; K387-L390 PolarHBondContact O-N 3.46Å; K387-E391 WeakPolarHBondContact O-CB 3.43Å; K387-E391 PolarHBondContact O-N 2.99Å
388	N	58.7	Low	50.9	Low	98 Å²	98	108.5 Å²	108.5	52%	0.524	56%	0.561	S	S	.	*	H	α-helix	trans	-59.2	-36.7	173.6	-88.2	-106.5	0	0	0	112.1	D384 F392	D384-N388 WeakPolarHBondContact O-CB 3.5Å; D384-N388 PolarHBondContact O-N 3.5Å; D384-N388 PolarHBondContact O-ND2 3.45Å; N388-F392 WeakPolarHBondContact O-CB 3.5Å; N388-F392 PolarHBondContact O-N 3.3Å
389	L	55.8	Low	51.1	Low	118 Å²	118	107.7 Å²	107.7	62%	0.618	56%	0.56	S	S	*	*	H	α-helix	trans	-69.8	-35.6	178.4	-174.3	62.3	0	0	0	112.4	N385 V386 K387 A393	N385-L389 WeakPolarHBondContact O-CB 3.49Å; N385-L389 PolarHBondContact O-N 3.22Å; V386-L389 PolarHBondContact O-N 3.35Å; K387-L389 VanDerWaalsContact C-N 3.27Å; K387-L389 PolarHBondContact O-N 3.48Å; L389-A393 PolarHBondContact O-N 3.03Å
390	L	58.9	Low	51	Low	124 Å²	124	107.1 Å²	107.1	65%	0.649	56%	0.561	S	S	*	*	H	α-helix	trans	-69.8	-46	175.3	-169.5	64.2	0	0	0	111.3	V386 K387 F392 A393 E394	V386-L390 PolarHBondContact O-N 3.48Å; K387-L390 PolarHBondContact O-N 3.46Å; L390-F392 VanDerWaalsContact C-N 3.29Å; L390-F392 PolarHBondContact O-N 2.73Å; L390-A393 WeakPolarHBondContact O-CB 3.43Å; L390-A393 PolarHBondContact O-N 3.28Å; L390-A393 VanDerWaalsContact O-N 3.08Å; L390-E394 PolarHBondContact O-N 2.89Å
391	E	51.4	Low	51	Low	111 Å²	111	109.6 Å²	109.6	52%	0.519	57%	0.571	S	S	.	*	H	α-helix	trans	-61.1	-35.9	175.1	-170.2	170.7	-164.8	0	0	111.9	K387 T395	K387-E391 WeakPolarHBondContact O-CB 3.43Å; K387-E391 PolarHBondContact O-N 2.99Å; E391-T395 WeakPolarHBondContact O-CB 3.33Å; E391-T395 PolarHBondContact O-N 3.47Å; E391-T395 PolarHBondContact O-OG1 2.7Å
392	F	52.6	Low	50.7	Low	131 Å²	131	110.9 Å²	110.9	58%	0.575	58%	0.575	S	S	*	*	H	α-helix	trans	-69.4	-35.8	172.2	-174.5	-100	0	0	0	113.1	N388 L390 L396	N388-F392 WeakPolarHBondContact O-CB 3.5Å; N388-F392 PolarHBondContact O-N 3.3Å; L390-F392 VanDerWaalsContact C-N 3.29Å; L390-F392 PolarHBondContact O-N 2.73Å; F392-L396 HydrophobicContact CD1-CD1 4.1Å; F392-L396 HydrophobicContact CE1-CD1 3.72Å; F392-L396 HydrophobicContact CE1-CG 4.44Å; F392-L396 HydrophobicContact CZ-CD1 4.35Å; F392-L396 WeakPolarHBondContact O-CG 3.39Å; F392-L396 PolarHBondContact O-N 2.97Å
393	A	53.2	Low	50.3	Low	45 Å²	45	111.6 Å²	111.6	37%	0.372	59%	0.589	S	S	.	*	H	α-helix	trans	-70.3	-40.5	175.6	0	0	0	0	0	112.1	L389 L390 T395 L396 Q397	L389-A393 PolarHBondContact O-N 3.03Å; L390-A393 WeakPolarHBondContact O-CB 3.43Å; L390-A393 PolarHBondContact O-N 3.28Å; L390-A393 VanDerWaalsContact O-N 3.08Å; A393-T395 VanDerWaalsContact C-N 3.34Å; A393-L396 PolarHBondContact O-N 3.16Å; A393-L396 VanDerWaalsContact O-N 3.17Å; A393-Q397 PolarHBondContact O-N 2.7Å; A393-Q397 VanDerWaalsContact O-N 3.12Å
394	E	53.5	Low	49.7	Very low	130 Å²	130	111.3 Å²	111.3	61%	0.607	60%	0.597	S	S	*	*	H	α-helix	trans	-63.2	-40.3	174.2	-165.6	165.3	-137.1	0	0	111.1	L390 L396 Q397 F398	L390-E394 PolarHBondContact O-N 2.89Å; E394-L396 VanDerWaalsContact C-N 3.31Å; E394-L396 PolarHBondContact O-N 3.38Å; E394-Q397 PolarHBondContact O-N 2.58Å; E394-F398 PolarHBondContact O-N 2.95Å
395	T	53.9	Low	49.2	Very low	75 Å²	75	110.5 Å²	110.5	46%	0.46	60%	0.599	S	S	.	*	H	α-helix	trans	-60.6	-35.7	172.2	-56.6	0	0	0	0	112.8	E391 A393 I399	E391-T395 WeakPolarHBondContact O-CB 3.33Å; E391-T395 PolarHBondContact O-N 3.47Å; E391-T395 PolarHBondContact O-OG1 2.7Å; A393-T395 VanDerWaalsContact C-N 3.34Å; T395-I399 HydrophobicContact CG2-CD1 4.28Å; T395-I399 WeakPolarHBondContact O-CD1 3.23Å; T395-I399 WeakPolarHBondContact O-CG1 3.32Å; T395-I399 PolarHBondContact O-N 2.81Å
396	L	52.5	Low	48.7	Very low	81 Å²	81	115.5 Å²	115.5	42%	0.424	61%	0.609	S	S	.	*	H	α-helix	trans	-72.2	-39.7	177.5	-75.3	171	0	0	0	112.3	F392 A393 E394 F398 I399 D400	F392-L396 HydrophobicContact CD1-CD1 4.1Å; F392-L396 HydrophobicContact CE1-CD1 3.72Å; F392-L396 HydrophobicContact CE1-CG 4.44Å; F392-L396 HydrophobicContact CZ-CD1 4.35Å; F392-L396 WeakPolarHBondContact O-CG 3.39Å; F392-L396 PolarHBondContact O-N 2.97Å; A393-L396 PolarHBondContact O-N 3.16Å; A393-L396 VanDerWaalsContact O-N 3.17Å; E394-L396 VanDerWaalsContact C-N 3.31Å; E394-L396 PolarHBondContact O-N 3.38Å; L396-F398 PolarHBondContact O-N 2.87Å; L396-I399 PolarHBondContact O-N 3.39Å; L396-D400 PolarHBondContact O-N 2.9Å; L396-D400 VanDerWaalsContact O-N 3.17Å
397	Q	46.9	Very low	47.7	Very low	143 Å²	143	117.4 Å²	117.4	67%	0.668	63%	0.625	S	S	*	*	H	α-helix	trans	-61.6	-32.7	174.9	-69.4	-176.8	-5.6	0	0	112.3	A393 E394 I399 S401	A393-Q397 PolarHBondContact O-N 2.7Å; A393-Q397 VanDerWaalsContact O-N 3.12Å; E394-Q397 PolarHBondContact O-N 2.58Å; Q397-I399 VanDerWaalsContact C-N 3.31Å; Q397-I399 PolarHBondContact O-N 3.31Å; Q397-S401 PolarHBondContact O-OG 3.23Å
398	F	39.9	Very low	46.4	Very low	174 Å²	174	116.9 Å²	116.9	76%	0.763	63%	0.629	S	S	*	*	H	α-helix	trans	-70.9	-20.9	173.7	-120	-80.3	0	0	0	114.2	E394 L396	E394-F398 PolarHBondContact O-N 2.95Å; L396-F398 PolarHBondContact O-N 2.87Å
399	I	48	Very low	45.1	Very low	113 Å²	113	119.6 Å²	119.6	58%	0.579	64%	0.642	S	S	*	*	H	α-helix	trans	-88.3	-36.9	-180	-69.7	166.5	0	0	0	111.6	T395 L396 Q397 S401	T395-I399 HydrophobicContact CG2-CD1 4.28Å; T395-I399 WeakPolarHBondContact O-CD1 3.23Å; T395-I399 WeakPolarHBondContact O-CG1 3.32Å; T395-I399 PolarHBondContact O-N 2.81Å; L396-I399 PolarHBondContact O-N 3.39Å; Q397-I399 VanDerWaalsContact C-N 3.31Å; Q397-I399 PolarHBondContact O-N 3.31Å; I399-S401 PolarHBondContact O-N 3.06Å
400	D	36.9	Very low	44.1	Very low	130 Å²	130	118.8 Å²	118.8	70%	0.695	65%	0.647	S	S	*	*	H	α-helix	trans	-73.3	-13.7	178	-73.4	-25.6	0	0	0	113.3	L396	L396-D400 PolarHBondContact O-N 2.9Å; L396-D400 VanDerWaalsContact O-N 3.17Å
401	S	41.6	Very low	42.8	Very low	97 Å²	97	118 Å²	118	68%	0.678	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-11	-173.4	-65.8	0	0	0	0	115.7	Q397 I399	Q397-S401 PolarHBondContact O-OG 3.23Å; I399-S401 PolarHBondContact O-N 3.06Å
402	D	43.1	Very low	41.7	Very low	105 Å²	105	122.8 Å²	122.8	56%	0.561	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	24.6	-169.7	-133.8	-14.9	0	0	0	114	S404	D402-S404 PolarHBondContact O-N 2.86Å
403	S	40.5	Very low	40.5	Very low	115 Å²	115	125.7 Å²	125.7	80%	0.804	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	3.3	-175	-159.4	0	0	0	0	114.9
404	S	37.8	Very low	39.2	Very low	107 Å²	107	132.1 Å²	132.1	75%	0.748	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	-3.4	-176.2	48.8	0	0	0	0	115.6	D402	D402-S404 PolarHBondContact O-N 2.86Å
405	S	37.7	Very low	38	Very low	85 Å²	85	135.7 Å²	135.7	59%	0.594	72%	0.72	S	S	*	*	S	Bend	trans	-95.5	3.7	-173.8	-166.2	0	0	0	0	115.9
406	W	40.6	Very low	37	Very low	219 Å²	219	139.5 Å²	139.5	83%	0.83	73%	0.733	S	S	*	*			trans	-108.5	26.2	-172.3	-72.6	96.4	0	0	0	114.9
407	C	38.4	Very low	35.8	Very low	126 Å²	126	145 Å²	145	85%	0.851	76%	0.756	S	S	*	*	S	Bend	trans	-115.2	28.8	-178.2	-68.6	0	0	0	0	115
408	D	31.7	Very low	35.1	Very low	127 Å²	127	142.7 Å²	142.7	68%	0.679	76%	0.762	S	S	*	*			trans	-148.3	97.1	161.1	-165.5	2	0	0	0	112.9
409	L	32.1	Very low	34.6	Very low	155 Å²	155	141.5 Å²	141.5	81%	0.812	76%	0.763	S	S	*	*			trans	-149.2	52.4	162.8	-82.2	-173.1	0	0	0	109.9
410	S	35.7	Very low	33.5	Very low	102 Å²	102	146.3 Å²	146.3	71%	0.713	78%	0.78	S	S	*	*			trans	-112.6	56.8	173	56.8	0	0	0	0	112
411	S	31.8	Very low	32.9	Very low	106 Å²	106	145 Å²	145	74%	0.741	78%	0.781	S	S	*	*			trans	-161	94.4	168.7	-81.4	0	0	0	0	111.7
412	F	26.4	Very low	32.7	Very low	212 Å²	212	145.8 Å²	145.8	93%	0.93	78%	0.784	S	S	*	*			trans	-147.7	124	153.1	-101.4	-74.3	0	0	0	108.5
413	E	28.8	Very low	31.8	Very low	193 Å²	193	145.2 Å²	145.2	90%	0.902	79%	0.788	S	S	*	*			trans	-75.4	151.8	-176.8	-70.3	179.8	113.8	0	0	112.4
414	F	25.5	Very low	31.3	Very low	179 Å²	179	147.7 Å²	147.7	79%	0.785	79%	0.787	S	S	*	*			trans	-79	135.5	174.4	-152.8	-102	0	0	0	109	E416	F414-E416 HydrophobicContact CD1-CB 4.11Å; F414-E416 HydrophobicContact CE1-CB 4.08Å
415	F	28	Very low	30.7	Very low	206 Å²	206	150 Å²	150	90%	0.904	79%	0.786	S	S	*	*			trans	-124.2	119	163	-119.8	-80.2	0	0	0	109.9
416	E	34	Very low	30.2	Very low	155 Å²	155	154.8 Å²	154.8	72%	0.724	80%	0.798	S	S	*	*			trans	-110.5	128.5	-177.8	173.4	179.2	-162.7	0	0	108.1	F414	F414-E416 HydrophobicContact CD1-CB 4.11Å; F414-E416 HydrophobicContact CE1-CB 4.08Å
417	E	27	Very low	29.7	Very low	196 Å²	196	150.7 Å²	150.7	92%	0.916	80%	0.798	S	S	*	*			trans	-159.5	162.2	149.6	-122.4	175.1	-175.6	0	0	111.1
418	A	30.9	Very low	29.1	Very low	95 Å²	95	147.9 Å²	147.9	79%	0.785	79%	0.79	S	S	*	*			trans	-109.1	-172	-152.9	0	0	0	0	0	115.3
419	D	29.3	Very low	29.2	Very low	149 Å²	149	151.9 Å²	151.9	80%	0.797	80%	0.801	S	S	*	*			trans	-50	148.3	179.6	-64.2	-81.5	0	0	0	114.9
420	F	25.9	Very low	28.9	Very low	213 Å²	213	149 Å²	149	93%	0.934	80%	0.799	S	S	*	*				-157.3	141.4	123.8	-102.8	-67.6	0	0	0	112.7
421	S	24.7	Very low	28.5	Very low	103 Å²	103	151.9 Å²	151.9	72%	0.72	81%	0.806	S	S	*	*			trans	-97.4	166.1	158.1	-126.4	0	0	0	0	108
422	P	37.5	Very low	28.3	Very low	113 Å²	113	154.7 Å²	154.7	73%	0.734	81%	0.807	S	S	*	*			cis	-156.3	-174.7	44	43.8	-21.9	0	0	0	118.6
423	S	24.1	Very low	28.4	Very low	93 Å²	93	150.7 Å²	150.7	65%	0.65	80%	0.795	S	S	*	*			trans	84.9	126.1	133.9	-159.9	0	0	0	0	122.7
424	Q	28.8	Very low	28.4	Very low	168 Å²	168	150 Å²	150	79%	0.785	79%	0.792	S	S	*	*			trans	85.2	158.4	141.4	-88.1	-176.5	-0.1	0	0	123.5
425	H	25.8	Very low	28.5	Very low	155 Å²	155	149.8 Å²	149.8	72%	0.718	79%	0.793	S	S	*	*			trans	-46.1	157	-177.9	-50	-72.7	0	0	0	114.1
426	H	27.8	Very low	28.4	Very low	185 Å²	185	149 Å²	149	86%	0.856	78%	0.784	S	S	*	*				-164.9	-178.6	61.6	49.3	-83	0	0	0	115.3
427	T	28.8	Very low	28	Very low	134 Å²	134	149.2 Å²	149.2	82%	0.822	79%	0.785	S	S	*	*			trans	-93.5	130.6	-163	52.9	0	0	0	0	115.2
428	G	26.7	Very low	28	Very low	66 Å²	66	143 Å²	143	68%	0.68	77%	0.774	S	S	*	*				55.3	152.5	118.6	0	0	0	0	0	122.7
429	K	32.7	Very low	27.9	Very low	212 Å²	212	146.6 Å²	146.6	92%	0.922	78%	0.78	S	S	*	*			trans	78.6	122	-175.1	-50.7	165	-175	174.6	0	111.9
430	A	26	Very low	27.8	Very low	93 Å²	93	143.2 Å²	143.2	77%	0.769	78%	0.78	S	S	*	*			cis	97.7	131.8	21.8	0	0	0	0	0	115.5
431	L	27.8	Very low	27.9	Very low	164 Å²	164	138.5 Å²	138.5	86%	0.859	77%	0.769	S	S	*	*			trans	78.6	109.8	165	-72.1	169	0	0	0	121.2
432	H	28.4	Very low	28.3	Very low	164 Å²	164	144.4 Å²	144.4	76%	0.759	78%	0.775	S	S	*	*				96	153.9	115.2	-156.9	53.3	0	0	0	120.7
433	L	28.4	Very low	28.8	Very low	129 Å²	129	144.1 Å²	144.1	68%	0.675	77%	0.774	S	S	*	*			trans	55.4	137.8	-167.7	-90.5	63.1	0	0	0	115.4
434	Q	27.8	Very low	29	Very low	177 Å²	177	144.8 Å²	144.8	83%	0.827	78%	0.784	S	S	*	*			cis	71.5	80.4	9.3	-159.5	177	11.4	0	0	118.1
435	Q	28	Very low	29	Very low	176 Å²	176	140.6 Å²	140.6	82%	0.822	79%	0.787	S	S	*	*				-150.2	132.7	128.5	-95.8	172.5	-5	0	0	105.5
436	R	25.6	Very low	29.3	Very low	189 Å²	189	141.4 Å²	141.4	71%	0.713	79%	0.791	S	S	*	*			cis	84.4	107.3	49.6	-175.1	-175.4	174.4	138.2	23.3	112
437	E	25.8	Very low	30.2	Very low	159 Å²	159	138.1 Å²	138.1	74%	0.743	79%	0.786	S	S	*	*			trans	60.9	156.2	161.7	-67.1	153.7	-170.2	0	0	116.6
438	G	27.6	Very low	30.2	Very low	66 Å²	66	135.8 Å²	135.8	68%	0.68	78%	0.775	S	S	*	*			cis	166.7	114.5	-9.5	0	0	0	0	0	112.8
439	N	28.7	Very low	31.4	Very low	171 Å²	171	137.8 Å²	137.8	91%	0.914	78%	0.776	S	S	*	*			trans	48.3	118	161.6	-63.3	-6.1	0	0	0	120.8
440	G	27.2	Very low	31.4	Very low	77 Å²	77	138.5 Å²	138.5	79%	0.794	77%	0.773	S	S	*	*			trans	-167.4	78.3	166.8	0	0	0	0	0	111.1
441	T	28.5	Very low	31.7	Very low	114 Å²	114	139.2 Å²	139.2	70%	0.699	77%	0.767	S	S	*	*				95.2	101.2	67.4	-67.1	0	0	0	0	112.9
442	R	32.2	Very low	32	Very low	228 Å²	228	137.9 Å²	137.9	86%	0.86	76%	0.761	S	S	*	*			trans	69.7	173.3	158	-60.9	172.5	81.8	-173	6.9	116.1
443	P	48	Very low	32.3	Very low	107 Å²	107	138.4 Å²	138.4	70%	0.695	76%	0.761	S	S	*	*				-138.5	176.6	-58.4	41.5	-27.3	0	0	0	114.6
444	A	29	Very low	32.3	Very low	106 Å²	106	142.9 Å²	142.9	88%	0.876	77%	0.769	S	S	*	*			trans	42.1	123.6	143.5	0	0	0	0	0	121.5
445	G	28.5	Very low	32.5	Very low	81 Å²	81	142.1 Å²	142.1	84%	0.835	77%	0.768	S	S	*	*			trans	-176.3	91.3	166.7	0	0	0	0	0	113.7
446	E	31.7	Very low	32.6	Very low	172 Å²	172	141.4 Å²	141.4	80%	0.804	77%	0.768	S	S	*	*			trans	-74.3	169.4	162.1	-115.9	-141.2	126.9	0	0	110.2	S448	E446-S448 PolarHBondContact OE1-N 3.3Å
447	P	46.3	Very low	32.9	Very low	115 Å²	115	136.6 Å²	136.6	75%	0.747	76%	0.764	S	S	*	*			cis	-142.8	170.7	36.6	40.7	-20.7	0	0	0	119
448	S	30.5	Very low	33.1	Very low	86 Å²	86	137.3 Å²	137.3	60%	0.601	77%	0.767	S	S	*	*			trans	-64.7	166.9	161.6	-166.4	0	0	0	0	113	E446 R450	E446-S448 PolarHBondContact OE1-N 3.3Å; S448-R450 PolarHBondContact OG-N 3.16Å
449	P	51.1	Low	33.2	Very low	107 Å²	107	139.6 Å²	139.6	70%	0.695	77%	0.773	S	S	*	*				-150.3	135	99.6	36	-18.1	0	0	0	117.6
450	R	32.5	Very low	33.2	Very low	228 Å²	228	136.5 Å²	136.5	86%	0.86	76%	0.764	S	S	*	*			trans	69.6	152	132.7	-65.1	-175.6	175.6	-175	-0.9	118.3	S448	S448-R450 PolarHBondContact OG-N 3.16Å
451	V	33.2	Very low	33.3	Very low	108 Å²	108	140.5 Å²	140.5	66%	0.655	77%	0.766	S	S	*	*			cis	-161.2	138.6	-1.3	110.5	0	0	0	0	113.2
452	N	33.3	Very low	33.3	Very low	136 Å²	136	142.2 Å²	142.2	73%	0.727	77%	0.772	S	S	*	*			trans	55.3	160.7	147.7	-66	-24.2	0	0	0	123.9
453	K	34.2	Very low	34.5	Very low	174 Å²	174	137 Å²	137	76%	0.757	77%	0.767	S	S	*	*			cis	-179.7	163.2	-24.9	-171.5	167.8	-176.2	171.9	0	110.2
454	R	29.1	Very low	35	Very low	223 Å²	223	136.9 Å²	136.9	84%	0.842	77%	0.766	S	S	*	*			trans	73.8	133.6	174.5	-81	171.8	178.8	158.4	-2.2	114.9
455	M	32.7	Very low	35.1	Very low	162 Å²	162	141.7 Å²	141.7	80%	0.798	77%	0.768	S	S	*	*			cis	71.9	131.7	20.7	-55.9	-166.8	73.5	0	0	118.3
456	L	28.8	Very low	35.1	Very low	161 Å²	161	143.7 Å²	143.7	84%	0.843	76%	0.763	S	S	*	*				-159.8	175.6	126.9	-107.5	170	0	0	0	111.2
457	S	31.5	Very low	35.2	Very low	87 Å²	87	143.2 Å²	143.2	61%	0.608	77%	0.765	S	S	*	*			trans	-157.1	-178.9	-165.6	49.2	0	0	0	0	112.4
458	E	31.5	Very low	35.5	Very low	175 Å²	175	142.9 Å²	142.9	82%	0.818	76%	0.763	S	S	*	*			trans	100.8	146.3	142.9	-155.7	168.9	-174	0	0	120.9
459	S	28.3	Very low	36.5	Very low	114 Å²	114	144.2 Å²	144.2	80%	0.797	77%	0.77	S	S	*	*			trans	72.8	152.3	163.2	72.5	0	0	0	0	120.7
460	S	28.5	Very low	35.6	Very low	105 Å²	105	143.2 Å²	143.2	73%	0.734	77%	0.77	S	S	*	*			cis	-173.9	159.1	-28.4	-161.7	0	0	0	0	113.1
461	L	30.5	Very low	35.6	Very low	161 Å²	161	142.9 Å²	142.9	84%	0.843	77%	0.769	S	S	*	*			trans	77.2	155.4	157.8	-72.5	156.9	0	0	0	123.4
462	D	27.9	Very low	35.4	Very low	151 Å²	151	145.4 Å²	145.4	81%	0.807	77%	0.773	S	S	*	*			trans	-117.6	-160.7	-166.1	-60	-80.9	0	0	0	114.8
463	P	58.7	Low	35.2	Very low	119 Å²	119	144.1 Å²	144.1	77%	0.773	78%	0.775	S	S	*	*				-124.4	-107.2	-81.6	38.7	-20.7	0	0	0	116.4
464	P	58.2	Low	35.2	Very low	104 Å²	104	141.5 Å²	141.5	68%	0.675	77%	0.774	S	S	*	*				-112.8	152.5	-85.2	37.9	-24.3	0	0	0	116.8
465	K	29.6	Very low	35.8	Very low	207 Å²	207	137.2 Å²	137.2	90%	0.9	77%	0.766	S	S	*	*			trans	174.2	175.1	154.6	-98	147.8	-171.9	177.1	0	112
466	V	29.9	Very low	36.5	Very low	122 Å²	122	134.9 Å²	134.9	74%	0.739	76%	0.763	S	S	*	*				-171.6	138.5	-63.5	129.4	0	0	0	0	112
467	L	32.3	Very low	36.9	Very low	163 Å²	163	133.8 Å²	133.8	85%	0.853	76%	0.758	S	S	*	*			trans	67	167.4	164.3	-75.1	172.5	0	0	0	119.9
468	P	53.7	Low	37.3	Very low	108 Å²	108	135.1 Å²	135.1	70%	0.701	76%	0.761	S	S	*	*			trans	-112.8	-148.7	-151.3	48.1	-40.3	0	0	0	113.2
469	P	50.2	Low	37.4	Very low	114 Å²	114	134 Å²	134	74%	0.74	76%	0.759	S	S	*	*			cis	-140.9	168.2	-9.4	41.5	-22.2	0	0	0	119.3
470	A	32.3	Very low	38	Very low	85 Å²	85	134.4 Å²	134.4	70%	0.702	75%	0.752	S	S	*	*			trans	44.5	152.5	140.6	0	0	0	0	0	126
471	R	32.6	Very low	38.3	Very low	221 Å²	221	139.5 Å²	139.5	83%	0.834	76%	0.755	S	S	*	*			trans	82.1	154.8	170.3	-47.1	175	177.5	178.4	-1.2	114.3
472	H	30	Very low	38.4	Very low	162 Å²	162	141.3 Å²	141.3	75%	0.75	76%	0.756	S	S	*	*			cis	-149.8	170.6	15	-52.1	-114.7	0	0	0	113
473	S	29.7	Very low	38.6	Very low	108 Å²	108	142.2 Å²	142.2	76%	0.755	75%	0.753	S	S	*	*				47.4	143	126.6	-168.9	0	0	0	0	122.4
474	T	32.8	Very low	37.3	Very low	120 Å²	120	147.6 Å²	147.6	74%	0.736	76%	0.758	S	S	*	*			cis	-166.5	171	-4.3	-91.5	0	0	0	0	111.7
475	I	41.5	Very low	36	Very low	132 Å²	132	145.8 Å²	145.8	68%	0.677	76%	0.758	S	S	*	*			trans	-69.5	166.4	179.9	-17.8	175.5	0	0	0	115.2
476	P	48.1	Very low	36	Very low	114 Å²	114	145.4 Å²	145.4	74%	0.74	76%	0.76	S	S	*	*				-135.5	147	100	37.3	-26.7	0	0	0	113.5
477	L	37.9	Very low	35.9	Very low	138 Å²	138	144.1 Å²	144.1	72%	0.723	76%	0.762	S	S	*	*				73.8	144	52.9	-73	168.3	0	0	0	114.8
478	V	38.4	Very low	35.9	Very low	114 Å²	114	142 Å²	142	69%	0.691	76%	0.76	S	S	*	*			cis	-106.7	-129.7	4.7	-147.4	0	0	0	0	111.2	L480	V478-L480 HydrophobicContact CG1-CD1 4.3Å
479	I	35.4	Very low	35.7	Very low	151 Å²	151	142 Å²	142	77%	0.774	76%	0.761	S	S	*	*			cis	-141.4	-166.1	-3.7	-153.4	161.2	0	0	0	111.6
480	L	39.3	Very low	34.7	Very low	123 Å²	123	144.6 Å²	144.6	64%	0.644	77%	0.767	S	S	*	*				-158.4	146.8	-126.8	-120	174.8	0	0	0	118.4	V478	V478-L480 HydrophobicContact CG1-CD1 4.3Å
481	R	35.7	Very low	34.7	Very low	213 Å²	213	144 Å²	144	80%	0.804	76%	0.762	S	S	*	*			trans	165.1	-162.1	146.4	-88.5	150.9	-167.9	86.4	-6.5	111.7
482	K	31.9	Very low	34.6	Very low	198 Å²	198	140 Å²	140	86%	0.861	76%	0.763	S	S	*	*				178.2	137.7	-87.6	177.8	-174.2	178.8	-176.4	0	109.6
483	K	32.5	Very low	34.4	Very low	171 Å²	171	135.4 Å²	135.4	74%	0.743	76%	0.759	S	S	*	*			cis	-164.7	128.1	-13.8	162.3	-99.7	169.6	-162.8	0	110.9
484	R	31.5	Very low	34.5	Very low	232 Å²	232	137.9 Å²	137.9	88%	0.875	76%	0.764	S	S	*	*			trans	1.2	134.3	150.9	-175.9	-173.5	-168.4	177.4	5.2	120.2
485	G	30	Very low	34.3	Very low	66 Å²	66	136.5 Å²	136.5	68%	0.68	76%	0.759	S	S	*	*			trans	141.3	108.4	138.5	0	0	0	0	0	121.7
486	Q	30.9	Very low	33.9	Very low	199 Å²	199	135 Å²	135	93%	0.93	76%	0.76	S	S	*	*			trans	63.5	147.5	134.1	-140.8	177.6	13.2	0	0	124.3
487	A	27.9	Very low	33.1	Very low	95 Å²	95	133.9 Å²	133.9	79%	0.785	76%	0.755	S	S	*	*			trans	87.5	131.9	152.6	0	0	0	0	0	121.9
488	S	31.7	Very low	32.6	Very low	117 Å²	117	136.2 Å²	136.2	82%	0.818	76%	0.76	S	S	*	*			trans	-83.6	171.3	165.1	-25.4	0	0	0	0	110.7
489	P	48.9	Very low	32.5	Very low	109 Å²	109	136.7 Å²	136.7	71%	0.708	76%	0.757	S	S	*	*				-153	-175.1	53.8	43.5	-22.8	0	0	0	117.3
490	L	30.5	Very low	32.4	Very low	168 Å²	168	138 Å²	138	88%	0.88	76%	0.757	S	S	*	*			trans	58.1	158.7	152.3	-103.9	65.5	0	0	0	119
491	A	32.6	Very low	32.1	Very low	72 Å²	72	136.2 Å²	136.2	60%	0.595	76%	0.761	S	S	*	*			cis	-152.9	-176.6	-4.3	0	0	0	0	0	110.4
492	T	28.7	Very low	31.9	Very low	139 Å²	139	131.2 Å²	131.2	85%	0.853	75%	0.75	S	S	*	*			trans	6.9	144.2	149.9	53.8	0	0	0	0	119.9
493	G	26.9	Very low	31.7	Very low	65 Å²	65	128.6 Å²	128.6	67%	0.67	75%	0.751	S	S	*	*			cis	132.9	177.4	22.4	0	0	0	0	0	109.8
494	D	30.7	Very low	31.9	Very low	159 Å²	159	124.7 Å²	124.7	85%	0.85	75%	0.745	S	S	*	*			trans	62.4	161.7	174.9	-78.3	-41.1	0	0	0	118.3
495	S	30.5	Very low	31.9	Very low	91 Å²	91	119.2 Å²	119.2	64%	0.636	74%	0.742	S	S	*	*			cis	-164.5	157.6	-40.2	-109.6	0	0	0	0	111.4
496	S	32	Very low	31.9	Very low	101 Å²	101	120.7 Å²	120.7	71%	0.706	74%	0.742	S	S	*	*			trans	48.8	120.6	149.4	65.5	0	0	0	0	122.6
497	S	30.3	Very low	32.3	Very low	90 Å²	90	117.3 Å²	117.3	63%	0.629	74%	0.735	S	S	*	*				92.9	157.1	118.7	72.7	0	0	0	0	123.3
498	F	28.9	Very low	33.6	Very low	187 Å²	187	117.5 Å²	117.5	82%	0.82	73%	0.728	S	S	*	*			trans	80.3	138.9	170.9	-61.6	-79.6	0	0	0	120.4
499	I	35.8	Very low	33.7	Very low	125 Å²	125	121.4 Å²	121.4	64%	0.641	73%	0.73	S	S	*	*				-177.9	128.8	-53.8	-96.5	-79.9	0	0	0	109.5
500	F	32.6	Very low	32.8	Very low	177 Å²	177	128 Å²	128	78%	0.776	74%	0.741	S	S	*	*			trans	59.5	173.2	157.9	-78.6	-121.5	0	0	0	116.8
501	A	34.7	Very low	33	Very low	87 Å²	87	124.8 Å²	124.8	72%	0.719	73%	0.733	S	S	*	*			cis	-153.1	174.4	6.1	0	0	0	0	0	108.6
502	D	30.3	Very low	33.7	Very low	107 Å²	107	127.3 Å²	127.3	57%	0.572	74%	0.743	S	S	*	*			cis	-165.4	159.7	-18.8	-145.8	-59.6	0	0	0	107.6	S504	D502-S504 PolarHBondContact OD1-OG 2.9Å
503	V	28.2	Very low	33.9	Very low	144 Å²	144	126.6 Å²	126.6	87%	0.873	74%	0.738	S	S	*	*			trans	-165.7	134.8	136.8	69.9	0	0	0	0	109.4
504	S	36.1	Very low	34.6	Very low	89 Å²	89	133.1 Å²	133.1	62%	0.622	75%	0.748	S	S	*	*			trans	-145.5	174.9	-159.7	-75.6	0	0	0	0	114.1	D502	D502-S504 PolarHBondContact OD1-OG 2.9Å
505	S	31.7	Very low	34.7	Very low	117 Å²	117	131.3 Å²	131.3	82%	0.818	75%	0.748	S	S	*	*			trans	85.4	151.6	173.9	85.7	0	0	0	0	116.8
506	S	30.8	Very low	34.9	Very low	96 Å²	96	134.7 Å²	134.7	67%	0.671	76%	0.758	S	S	*	*			cis	-149.5	126.4	14.6	62.5	0	0	0	0	111.6
507	T	38.6	Very low	36.1	Very low	129 Å²	129	134.8 Å²	134.8	79%	0.791	76%	0.756	S	S	*	*				68	159.7	94.6	70.4	0	0	0	0	118.4
508	P	55.1	Low	36.1	Very low	99 Å²	99	140.2 Å²	140.2	64%	0.643	77%	0.769	S	S	*	*			cis	-148.4	-175.8	-49.2	44.4	-27.2	0	0	0	117
509	K	33.2	Very low	35.9	Very low	198 Å²	198	136.3 Å²	136.3	86%	0.861	77%	0.765	S	S	*	*			trans	94.3	139.4	148.2	-72.7	168.7	-175.3	172.6	0	124
510	R	31.7	Very low	36.4	Very low	249 Å²	249	135.3 Å²	135.3	94%	0.94	77%	0.766	S	S	*	*			trans	100.7	142.3	147.6	-91.5	-170.4	176	-154.3	-0.7	122.1
511	S	34	Very low	36.4	Very low	100 Å²	100	132.1 Å²	132.1	70%	0.699	77%	0.765	S	S	*	*			trans	-120.4	170.8	168.6	59.7	0	0	0	0	110.2
512	P	48	Very low	36.5	Very low	125 Å²	125	135.8 Å²	135.8	81%	0.812	77%	0.768	S	S	*	*				-146	-126.9	94	39.3	-19.5	0	0	0	115.3
513	V	32.5	Very low	36.7	Very low	123 Å²	123	138.2 Å²	138.2	75%	0.745	77%	0.774	S	S	*	*			trans	-139.8	143	-142.5	174.8	0	0	0	0	115.5
514	K	41.4	Very low	37	Very low	203 Å²	203	138.8 Å²	138.8	88%	0.883	77%	0.771	S	S	*	*			trans	29.4	135.6	159.5	-66.2	175.1	176.7	-180	0	122.3
515	S	31.9	Very low	36.5	Very low	120 Å²	120	140.6 Å²	140.6	84%	0.839	77%	0.774	S	S	*	*			trans	-163	156.3	132.8	52.7	0	0	0	0	114.5
516	L	36	Very low	36.3	Very low	163 Å²	163	140.9 Å²	140.9	85%	0.853	77%	0.771	S	S	*	*			trans	-103.3	176.7	160.8	-88.4	165.2	0	0	0	107.3
517	P	56.3	Low	36.3	Very low	102 Å²	102	141 Å²	141	66%	0.662	77%	0.772	S	S	*	*			cis	-156.1	-172.1	30.5	45.7	-23.8	0	0	0	120
518	F	29.3	Very low	35.7	Very low	205 Å²	205	139.8 Å²	139.8	90%	0.899	77%	0.768	S	S	*	*			trans	83.1	165.3	145.8	-79.7	-53.4	0	0	0	124.8
519	S	26.8	Very low	34.3	Very low	105 Å²	105	142.1 Å²	142.1	73%	0.734	78%	0.775	S	S	*	*			trans	-125.9	-157	-160.9	-153.7	0	0	0	0	108.8
520	P	44.8	Very low	34.2	Very low	104 Å²	104	139.8 Å²	139.8	68%	0.675	77%	0.767	S	S	*	*			cis	-145.3	177.2	-9.5	44.4	-25.4	0	0	0	118.3
521	S	33.2	Very low	34.3	Very low	109 Å²	109	134.3 Å²	134.3	76%	0.762	75%	0.752	S	S	*	*			trans	61.9	171.5	136.5	-70.5	0	0	0	0	126.4
522	Q	37.2	Very low	34	Very low	164 Å²	164	135.2 Å²	135.2	77%	0.766	75%	0.749	S	S	*	*			trans	105.5	146.7	170.4	-55.5	-161.2	39.2	0	0	116.5
523	F	33.2	Very low	33	Very low	159 Å²	159	133.7 Å²	133.7	70%	0.697	74%	0.742	S	S	*	*			cis	-169.6	139.3	-32.8	-97.5	-35.3	0	0	0	112.3
524	L	35.1	Very low	32.7	Very low	155 Å²	155	134.8 Å²	134.8	81%	0.812	74%	0.743	S	S	*	*			trans	55.5	162.3	143.5	-58.9	173.5	0	0	0	121.4
525	N	25.9	Very low	32	Very low	128 Å²	128	129.6 Å²	129.6	68%	0.684	73%	0.732	S	S	*	*			cis	-172.8	162.1	-29.5	-173.2	20.7	0	0	0	110.4
526	T	27.7	Very low	31.8	Very low	123 Å²	123	133.4 Å²	133.4	76%	0.755	74%	0.737	S	S	*	*			trans	61.6	159.9	165.7	42.4	0	0	0	0	119.6
527	S	30.1	Very low	31.5	Very low	99 Å²	99	134 Å²	134	69%	0.692	74%	0.737	S	S	*	*			cis	-169.4	176.5	-17.8	54.5	0	0	0	0	113.5
528	S	25.7	Very low	31.1	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	74%	0.74	S	S	*	*			trans	71.3	106.2	145.9	55.5	0	0	0	0	125.9
529	N	27.2	Very low	31.1	Very low	148 Å²	148	129.2 Å²	129.2	79%	0.791	73%	0.729	S	S	*	*				56.3	147.4	117.9	-85.3	0.6	0	0	0	127.7
530	H	31.1	Very low	31.4	Very low	148 Å²	148	131.7 Å²	131.7	69%	0.685	73%	0.734	S	S	*	*			trans	71.1	151.2	154	-86.7	-119.6	0	0	0	119.2
531	E	32.1	Very low	30.6	Very low	134 Å²	134	132.9 Å²	132.9	63%	0.626	74%	0.739	S	S	*	*			cis	-163.6	168.7	-15.5	-139.5	-174.7	152.3	0	0	112.6
532	N	28.4	Very low	30.4	Very low	120 Å²	120	132.8 Å²	132.8	64%	0.642	74%	0.739	S	S	*	*			trans	52.2	120.8	148.6	-69.5	-17.1	0	0	0	126.6
533	S	26.5	Very low	30.3	Very low	93 Å²	93	131.1 Å²	131.1	65%	0.65	74%	0.739	S	S	*	*				75.7	145.9	116.5	-53	0	0	0	0	125.7
534	D	25.8	Very low	31.1	Very low	146 Å²	146	128.9 Å²	128.9	78%	0.781	74%	0.741	S	S	*	*			trans	66.4	160.1	153.8	-72.4	-53.6	0	0	0	120.7
535	S	26.8	Very low	30.8	Very low	93 Å²	93	129.3 Å²	129.3	65%	0.65	74%	0.743	S	S	*	*			cis	-169.3	169.8	-39.8	-101.3	0	0	0	0	110
536	E	28.5	Very low	31	Very low	201 Å²	201	131 Å²	131	94%	0.939	75%	0.751	S	S	*	*			trans	70.8	162.9	168	-55.6	-154.2	123.5	0	0	120.5
537	M	30.7	Very low	31.1	Very low	174 Å²	174	128 Å²	128	86%	0.857	74%	0.743	S	S	*	*			trans	-160.8	139.6	-176.2	-160.9	-179.5	66.3	0	0	106.9
538	P	46	Very low	31.2	Very low	111 Å²	111	131.1 Å²	131.1	72%	0.721	75%	0.747	S	S	*	*				-159	179.4	105	39.4	-18.9	0	0	0	117.3
539	S	29.9	Very low	31.5	Very low	96 Å²	96	134.3 Å²	134.3	67%	0.671	75%	0.748	S	S	*	*			trans	96.5	100.5	144.2	-58.8	0	0	0	0	123.3
540	L	33.6	Very low	31.8	Very low	158 Å²	158	133.8 Å²	133.8	83%	0.827	74%	0.744	S	S	*	*				70.7	140.1	123	-62	175.2	0	0	0	124.5
541	T	27.1	Very low	31.8	Very low	128 Å²	128	132.2 Å²	132.2	79%	0.785	75%	0.745	S	S	*	*			trans	65	119.6	139.5	-159.7	0	0	0	0	123.1
542	S	29.7	Very low	31.6	Very low	108 Å²	108	131.6 Å²	131.6	76%	0.755	75%	0.75	S	S	*	*				164	169.4	104.7	54.8	0	0	0	0	113.5
543	T	35.5	Very low	31.8	Very low	128 Å²	128	132 Å²	132	79%	0.785	76%	0.757	S	S	*	*			trans	-153.9	136.2	178.9	-42.6	0	0	0	0	111.9
544	P	49.9	Very low	32	Very low	113 Å²	113	133.6 Å²	133.6	73%	0.734	76%	0.763	S	S	*	*			trans	-130	150.2	136.5	10.7	11.7	0	0	0	111
545	L	28.4	Very low	32.7	Very low	163 Å²	163	131.9 Å²	131.9	85%	0.853	76%	0.76	S	S	*	*			cis	85.3	149.5	43.5	-73.2	176.7	0	0	0	115.7
546	I	30.6	Very low	32.7	Very low	165 Å²	165	136.6 Å²	136.6	85%	0.846	77%	0.769	S	S	*	*			trans	81.7	132.1	-176.1	-53.3	171.5	0	0	0	114.3
547	G	30.1	Very low	32.7	Very low	58 Å²	58	133.6 Å²	133.6	60%	0.598	76%	0.755	S	S	*	*			cis	159.3	162.6	-10.7	0	0	0	0	0	114.5
548	H	32.4	Very low	32.6	Very low	165 Å²	165	134.6 Å²	134.6	76%	0.764	75%	0.749	S	S	*	*			trans	69.2	156.6	168.8	-48.2	-67.3	0	0	0	116.5
549	K	31.9	Very low	31.7	Very low	171 Å²	171	135.2 Å²	135.2	74%	0.743	75%	0.746	S	S	*	*			cis	-162.5	161.9	-15.7	-118.5	178.3	178.4	-179.2	0	110
550	L	33	Very low	31.6	Very low	137 Å²	137	138 Å²	138	72%	0.717	75%	0.749	S	S	*	*			trans	66.7	110.3	145.9	-71.4	169.8	0	0	0	122.6
551	T	30.2	Very low	31.3	Very low	114 Å²	114	136 Å²	136	70%	0.699	74%	0.744	S	S	*	*				65.4	116.6	126.6	56	0	0	0	0	124.6
552	V	27.6	Very low	31.4	Very low	122 Å²	122	135.1 Å²	135.1	74%	0.739	74%	0.737	S	S	*	*				90.9	137.6	118.2	172.9	0	0	0	0	121
553	T	32.8	Very low	31.3	Very low	128 Å²	128	139 Å²	139	79%	0.785	74%	0.741	S	S	*	*			trans	67.5	110.2	167.4	36.1	0	0	0	0	121.8
554	T	30.9	Very low	30.8	Very low	126 Å²	126	138.9 Å²	138.9	77%	0.773	74%	0.74	S	S	*	*			trans	-44	157.5	137	48.6	0	0	0	0	113.4
555	P	41.2	Very low	29.8	Very low	110 Å²	110	143.1 Å²	143.1	71%	0.714	75%	0.75	S	S	*	*			cis	-149.7	-174.5	46.4	40.7	-18.9	0	0	0	118.5
556	F	27.4	Very low	30	Very low	193 Å²	193	142.6 Å²	142.6	85%	0.846	74%	0.741	S	S	*	*			trans	3.4	136.3	154.8	-74.1	-105	0	0	0	117.5
557	H	28.4	Very low	29.9	Very low	138 Å²	138	141.5 Å²	141.5	64%	0.639	73%	0.732	S	S	*	*				-169.8	-163.1	60.4	-166.2	-110.6	0	0	0	111.9
558	R	29	Very low	29.9	Very low	194 Å²	194	145.7 Å²	145.7	73%	0.732	74%	0.741	S	S	*	*			trans	-53	157	174.9	-56.8	176.5	-171.2	148.4	3.4	112.5
559	D	25.9	Very low	29.9	Very low	124 Å²	124	143 Å²	143	66%	0.663	74%	0.736	S	S	*	*				-167.2	179.1	60.2	-126.5	-64.2	0	0	0	117.6
560	Q	28.6	Very low	29.9	Very low	154 Å²	154	139.6 Å²	139.6	72%	0.72	73%	0.73	S	S	*	*			trans	0.9	117.6	163.4	-86.1	161.7	89.3	0	0	123.8
561	T	27.6	Very low	29.7	Very low	118 Å²	118	143.5 Å²	143.5	72%	0.724	74%	0.741	S	S	*	*				49.8	155.4	117.3	63.1	0	0	0	0	124.6
562	V	27.4	Very low	29.9	Very low	108 Å²	108	148 Å²	148	66%	0.655	75%	0.745	S	S	*	*			trans	95.8	97.7	153.9	-169.8	0	0	0	0	119.1
563	K	27.9	Very low	30	Very low	190 Å²	190	148.1 Å²	148.1	83%	0.826	75%	0.747	S	S	*	*			trans	58.9	176.3	151.4	-50.3	167	-173.2	169.3	0	115.1
564	T	26.6	Very low	30.5	Very low	126 Å²	126	147 Å²	147	77%	0.773	74%	0.742	S	S	*	*			cis	-150	143.3	-4.2	-24.9	0	0	0	0	108.7
565	Q	28.6	Very low	30.3	Very low	201 Å²	201	145.9 Å²	145.9	94%	0.939	75%	0.745	S	S	*	*			trans	-154.8	162.3	136.1	-131.7	-178.3	-2.2	0	0	111.9
566	K	32.6	Very low	29.8	Very low	153 Å²	153	148.2 Å²	148.2	67%	0.665	75%	0.75	S	S	*	*			trans	-115.6	125.3	-157.4	176.5	157.2	-175.3	165.4	0	113
567	E	28	Very low	30.1	Very low	141 Å²	141	148 Å²	148	66%	0.659	75%	0.749	S	S	*	*			trans	16	124.7	139.5	-48.7	146.4	-116.4	0	0	118.2
568	N	30	Very low	30.9	Very low	147 Å²	147	152.5 Å²	152.5	79%	0.786	76%	0.76	S	S	*	*				177.3	141	129.7	-89.9	-13	0	0	0	110
569	T	32.1	Very low	31	Very low	107 Å²	107	148.1 Å²	148.1	66%	0.656	76%	0.759	S	S	*	*			cis	-155.5	123.9	-27.7	5.7	0	0	0	0	105.2
570	V	31.6	Very low	31.8	Very low	101 Å²	101	149.5 Å²	149.5	61%	0.612	77%	0.765	S	S	*	*				55.7	117.5	95.8	178	0	0	0	0	114.1	R572	V570-R572 HydrophobicContact CG1-CB 3.63Å
571	F	29.2	Very low	32.5	Very low	219 Å²	219	149.4 Å²	149.4	96%	0.961	77%	0.769	S	S	*	*				-120.1	143.5	117.6	-114.5	-85.6	0	0	0	110.7
572	R	35.4	Very low	33.1	Very low	207 Å²	207	151.6 Å²	151.6	78%	0.781	77%	0.77	S	S	*	*			trans	-158.7	163.7	-164.5	175.3	-173.6	-176.4	-151.3	4.2	106.6	V570	V570-R572 HydrophobicContact CG1-CB 3.63Å
573	T	28.1	Very low	33.7	Very low	125 Å²	125	151.6 Å²	151.6	77%	0.767	78%	0.776	S	S	*	*			trans	117.1	145	162.9	-56.8	0	0	0	0	112.1
574	P	43.3	Very low	33.9	Very low	105 Å²	105	148 Å²	148	68%	0.682	78%	0.775	S	S	*	*			cis	-110.3	163.8	-7.7	22.6	-3.4	0	0	0	114	I576	P574-I576 HydrophobicContact CB-CG1 4.4Å
575	A	27.8	Very low	34.5	Very low	103 Å²	103	147.9 Å²	147.9	85%	0.851	78%	0.775	S	S	*	*			trans	-123.9	113	151.6	0	0	0	0	0	107.6
576	I	30.2	Very low	35	Very low	158 Å²	158	149.3 Å²	149.3	81%	0.81	77%	0.772	S	S	*	*			trans	-94.5	125.6	176.7	-62.6	177.4	0	0	0	108.5	P574	P574-I576 HydrophobicContact CB-CG1 4.4Å
577	K	32.9	Very low	35.3	Very low	189 Å²	189	147.4 Å²	147.4	82%	0.822	77%	0.773	S	S	*	*			trans	-111.2	105.9	167.1	-83.5	-173.2	176.3	179.3	0	110.2
578	R	46.6	Very low	36.1	Very low	233 Å²	233	146.9 Å²	146.9	88%	0.879	78%	0.783	S	S	*	*			trans	51.4	104.2	143.9	-61.1	179.2	178.8	147.9	1.5	117.5
579	S	30.7	Very low	37.5	Very low	102 Å²	102	144 Å²	144	71%	0.713	77%	0.77	S	S	*	*			trans	-141.7	103.8	149.6	174.4	0	0	0	0	109.9
580	I	43	Very low	38.4	Very low	153 Å²	153	144.1 Å²	144.1	79%	0.785	77%	0.773	S	S	*	*	S	Bend	trans	68.8	130.9	156.2	-54.3	165.4	0	0	0	117.2
581	L	42.1	Very low	39.1	Very low	152 Å²	152	146.7 Å²	146.7	80%	0.796	78%	0.776	S	S	*	*			trans	66.3	147.6	170.8	-108.1	66.5	0	0	0	120.1
582	E	40.1	Very low	40.5	Very low	163 Å²	163	143.5 Å²	143.5	76%	0.762	76%	0.762	S	S	*	*			trans	65.8	145.1	156.9	-135.2	48.1	-113.8	0	0	123
583	S	41.5	Very low	41.8	Very low	109 Å²	109	140.4 Å²	140.4	76%	0.762	76%	0.756	S	S	*	*			trans	67.6	106.1	166.4	71.6	0	0	0	0	119.1
584	S	32.4	Very low	43.4	Very low	115 Å²	115	137.2 Å²	137.2	80%	0.804	74%	0.743	S	S	*	*			trans	-133.8	151.9	154.5	-130	0	0	0	0	108.8
585	P	38.2	Very low	44.5	Very low	122 Å²	122	136.4 Å²	136.4	79%	0.792	73%	0.732	S	S	*	*			trans	-71.2	155.7	-155	26.2	-34.4	0	0	0	115.2
586	R	38.9	Very low	46.4	Very low	232 Å²	232	133.3 Å²	133.3	88%	0.875	71%	0.707	S	S	*	*			trans	-66	126.7	-176.7	-82.2	173.6	148.7	89.7	-5.4	113
587	T	39.3	Very low	48.3	Very low	112 Å²	112	128.4 Å²	128.4	69%	0.687	69%	0.689	S	S	*	*			trans	-112.4	137	137.7	42.5	0	0	0	0	108.5	T589	T587-T589 PolarHBondContact O-N 3.43Å
588	P	43.8	Very low	50	Low	131 Å²	131	123.7 Å²	123.7	85%	0.851	67%	0.67	S	S	*	*			trans	-88.9	72.6	-176.4	35.1	-35	0	0	0	111.8
589	T	59.2	Low	51	Low	86 Å²	86	118 Å²	118	53%	0.528	65%	0.653	S	S	.	*			trans	-82.7	123.7	164.6	22.5	0	0	0	0	109.9	T587 F591 K592	T587-T589 PolarHBondContact O-N 3.43Å; T589-F591 PolarHBondContact O-N 3.44Å; T589-F591 VanDerWaalsContact O-N 3.15Å; T589-K592 PolarHBondContact O-N 3.28Å; T589-K592 VanDerWaalsContact O-N 3.08Å
590	P	51.7	Low	53	Low	110 Å²	110	120 Å²	120	71%	0.714	66%	0.655	S	S	*	*	H	α-helix	trans	-61.2	-30.5	-172.3	22.9	-33.4	0	0	0	112.9	K592 H593 A594	P590-K592 PolarHBondContact O-N 2.86Å; P590-K592 VanDerWaalsContact O-N 3.12Å; P590-H593 PolarHBondContact O-N 3.08Å; P590-A594 PolarHBondContact O-N 2.87Å; P590-A594 VanDerWaalsContact O-N 3.15Å
591	F	46.8	Very low	54.1	Low	154 Å²	154	120.4 Å²	120.4	68%	0.675	65%	0.651	S	S	*	*	H	α-helix	trans	-53.3	-32.4	176	-142.7	-97.6	0	0	0	113.5	T589 A594 L595	T589-F591 PolarHBondContact O-N 3.44Å; T589-F591 VanDerWaalsContact O-N 3.15Å; F591-A594 PolarHBondContact O-N 3.34Å; F591-L595 HydrophobicContact CD1-CD1 3.75Å; F591-L595 HydrophobicContact CD1-CG 4.14Å; F591-L595 HydrophobicContact CE1-CD1 3.95Å; F591-L595 HydrophobicContact CE1-CG 4.24Å; F591-L595 WeakPolarHBondContact O-CG 3.01Å; F591-L595 PolarHBondContact O-N 3.39Å
592	K	59.3	Low	55.1	Low	152 Å²	152	121.5 Å²	121.5	66%	0.661	65%	0.646	S	S	*	*	H	α-helix	trans	-73.2	-28.5	178.3	-171.8	169.3	-178.4	175.7	0	112.9	T589 P590 A596	T589-K592 PolarHBondContact O-N 3.28Å; T589-K592 VanDerWaalsContact O-N 3.08Å; P590-K592 PolarHBondContact O-N 2.86Å; P590-K592 VanDerWaalsContact O-N 3.12Å; K592-A596 VanDerWaalsContact O-CB 3.26Å; K592-A596 WeakPolarHBondContact O-CB 3.26Å; K592-A596 PolarHBondContact O-N 3.24Å
593	H	60.9	Low	56.5	Low	142 Å²	142	115 Å²	115	66%	0.657	62%	0.622	S	S	*	*	H	α-helix	trans	-77.9	-34.8	171.6	-87.4	22	0	0	0	112	P590 A597	P590-H593 PolarHBondContact O-N 3.08Å; H593-A597 VanDerWaalsContact O-CB 3.23Å; H593-A597 WeakPolarHBondContact O-CB 3.38Å; H593-A597 PolarHBondContact O-N 2.95Å
594	A	63.1	Low	57.3	Low	59 Å²	59	114.7 Å²	114.7	49%	0.488	62%	0.617	S	S	.	*	H	α-helix	trans	-60.1	-52.5	172.7	0	0	0	0	0	111.7	P590 F591 A596 A597 Q598	P590-A594 PolarHBondContact O-N 2.87Å; P590-A594 VanDerWaalsContact O-N 3.15Å; F591-A594 PolarHBondContact O-N 3.34Å; A594-A596 PolarHBondContact O-N 3.08Å; A594-A597 PolarHBondContact O-N 3.2Å; A594-Q598 WeakPolarHBondContact O-CB 3.21Å; A594-Q598 PolarHBondContact O-N 3.44Å
595	L	66	Low	58.1	Low	88 Å²	88	115.3 Å²	115.3	46%	0.461	61%	0.611	S	S	.	*	H	α-helix	trans	-62.5	-42.3	178.5	-69.8	173.3	0	0	0	112.6	F591 Q598 E599	F591-L595 HydrophobicContact CD1-CD1 3.75Å; F591-L595 HydrophobicContact CD1-CG 4.14Å; F591-L595 HydrophobicContact CE1-CD1 3.95Å; F591-L595 HydrophobicContact CE1-CG 4.24Å; F591-L595 WeakPolarHBondContact O-CG 3.01Å; F591-L595 PolarHBondContact O-N 3.39Å; L595-Q598 PolarHBondContact O-N 2.9Å; L595-E599 WeakPolarHBondContact O-CB 3.19Å; L595-E599 PolarHBondContact O-N 3.49Å
596	A	68.6	Low	58.5	Low	38 Å²	38	119.1 Å²	119.1	31%	0.314	62%	0.615	S	S	.	*	H	α-helix	trans	-65.1	-39.1	176.5	0	0	0	0	0	112.5	K592 A594 Q598 E599 I600	K592-A596 VanDerWaalsContact O-CB 3.26Å; K592-A596 WeakPolarHBondContact O-CB 3.26Å; K592-A596 PolarHBondContact O-N 3.24Å; A594-A596 PolarHBondContact O-N 3.08Å; A596-Q598 VanDerWaalsContact C-N 3.32Å; A596-Q598 PolarHBondContact O-N 3.32Å; A596-E599 PolarHBondContact O-N 3.13Å; A596-I600 WeakPolarHBondContact O-CB 3.38Å; A596-I600 WeakPolarHBondContact O-CD1 3.47Å; A596-I600 WeakPolarHBondContact O-CG1 3.37Å; A596-I600 PolarHBondContact O-N 3.18Å
597	A	68.3	Low	58.7	Low	54 Å²	54	116.2 Å²	116.2	45%	0.446	61%	0.614	S	S	.	*	H	α-helix	trans	-67.5	-32.9	175.4	0	0	0	0	0	112.3	H593 A594 K601	H593-A597 VanDerWaalsContact O-CB 3.23Å; H593-A597 WeakPolarHBondContact O-CB 3.38Å; H593-A597 PolarHBondContact O-N 2.95Å; A594-A597 PolarHBondContact O-N 3.2Å; A597-K601 WeakPolarHBondContact O-CB 3.16Å; A597-K601 PolarHBondContact O-N 2.94Å; A597-K601 VanDerWaalsContact O-N 3.08Å
598	Q	68.4	Low	59.1	Low	91 Å²	91	117.6 Å²	117.6	43%	0.425	62%	0.616	S	S	.	*	H	α-helix	trans	-69.3	-45.7	173.6	-167.3	175.3	9.8	0	0	111.3	A594 L595 A596 I600 K601 Y602	A594-Q598 WeakPolarHBondContact O-CB 3.21Å; A594-Q598 PolarHBondContact O-N 3.44Å; L595-Q598 PolarHBondContact O-N 2.9Å; A596-Q598 VanDerWaalsContact C-N 3.32Å; A596-Q598 PolarHBondContact O-N 3.32Å; Q598-I600 VanDerWaalsContact C-N 3.32Å; Q598-I600 PolarHBondContact O-N 3.13Å; Q598-K601 PolarHBondContact O-N 2.78Å; Q598-K601 VanDerWaalsContact O-N 3.16Å; Q598-Y602 HydrophobicContact CG-CD2 3.94Å; Q598-Y602 WeakPolarHBondContact O-CD2 3.13Å; Q598-Y602 PolarHBondContact O-N 2.75Å
599	E	68.4	Low	58.8	Low	112 Å²	112	116.7 Å²	116.7	52%	0.523	61%	0.61	S	S	.	*	H	α-helix	trans	-63.1	-35.9	175.7	-173.2	168.7	-147.2	0	0	112.2	L595 A596 G603	L595-E599 WeakPolarHBondContact O-CB 3.19Å; L595-E599 PolarHBondContact O-N 3.49Å; A596-E599 PolarHBondContact O-N 3.13Å; E599-G603 WeakPolarHBondContact O-CA 3.38Å; E599-G603 PolarHBondContact O-N 3.26Å
600	I	72.3	Confident	57.8	Low	145 Å²	145	120.8 Å²	120.8	74%	0.744	62%	0.623	S	S	*	*	H	α-helix	trans	-69.4	-33.3	173.7	-71	164.2	0	0	0	112.4	A596 Q598	A596-I600 WeakPolarHBondContact O-CB 3.38Å; A596-I600 WeakPolarHBondContact O-CD1 3.47Å; A596-I600 WeakPolarHBondContact O-CG1 3.37Å; A596-I600 PolarHBondContact O-N 3.18Å; Q598-I600 VanDerWaalsContact C-N 3.32Å; Q598-I600 PolarHBondContact O-N 3.13Å
601	K	65.8	Low	57.6	Low	161 Å²	161	120.5 Å²	120.5	70%	0.7	62%	0.62	S	S	*	*	H	α-helix	trans	-84.4	-33.2	179.3	-84.4	-168.6	171.2	-171.6	0	114.6	A597 Q598	A597-K601 WeakPolarHBondContact O-CB 3.16Å; A597-K601 PolarHBondContact O-N 2.94Å; A597-K601 VanDerWaalsContact O-N 3.08Å; Q598-K601 PolarHBondContact O-N 2.78Å; Q598-K601 VanDerWaalsContact O-N 3.16Å
602	Y	64.8	Low	57.8	Low	176 Å²	176	118.6 Å²	118.6	69%	0.69	62%	0.623	S	S	*	*	H	α-helix	trans	-125.5	-4.1	-168.1	-57.7	-77.3	0	0	0	114	Q598	Q598-Y602 HydrophobicContact CG-CD2 3.94Å; Q598-Y602 WeakPolarHBondContact O-CD2 3.13Å; Q598-Y602 PolarHBondContact O-N 2.75Å
603	G	69.5	Low	57.4	Low	26 Å²	26	114.7 Å²	114.7	27%	0.268	62%	0.615	S	S	.	*			trans	81.9	174.9	-178.9	0	0	0	0	0	114.2	E599 L605	E599-G603 WeakPolarHBondContact O-CA 3.38Å; E599-G603 PolarHBondContact O-N 3.26Å; G603-L605 PolarHBondContact O-N 3.29Å
604	P	57.9	Low	56.9	Low	102 Å²	102	112.7 Å²	112.7	66%	0.662	61%	0.605	S	S	*	*	S	Bend	trans	-65.8	124.3	180	-21.7	34.3	0	0	0	111.8	K606	P604-K606 PolarHBondContact O-N 3.27Å
605	L	48.6	Very low	56.5	Low	129 Å²	129	115.5 Å²	115.5	68%	0.675	61%	0.612	S	S	*	*			trans	-66.8	103	-176.3	-67.6	174	0	0	0	111.9	G603 M607	G603-L605 PolarHBondContact O-N 3.29Å; L605-M607 PolarHBondContact O-N 2.77Å; L605-M607 VanDerWaalsContact O-N 3.13Å
606	K	46.5	Very low	56.5	Low	201 Å²	201	115.1 Å²	115.1	87%	0.874	61%	0.613	S	S	*	*			trans	-69.8	101.5	162.7	-87	-171.3	173.6	-178.1	0	109.5	P604 L608	P604-K606 PolarHBondContact O-N 3.27Å; K606-L608 VanDerWaalsContact C-N 3.3Å; K606-L608 PolarHBondContact O-N 3.31Å
607	M	44.5	Very low	56.3	Low	171 Å²	171	118.9 Å²	118.9	84%	0.842	62%	0.624	S	S	*	*			trans	-69.2	89	164	-69.9	-53.5	-53.8	0	0	110.1	L605	L605-M607 PolarHBondContact O-N 2.77Å; L605-M607 VanDerWaalsContact O-N 3.13Å
608	L	45.9	Very low	56	Low	142 Å²	142	120.3 Å²	120.3	74%	0.743	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-91.8	129.2	162.3	-167.9	74.1	0	0	0	107.7	K606 Q610	K606-L608 VanDerWaalsContact C-N 3.3Å; K606-L608 PolarHBondContact O-N 3.31Å; L608-Q610 PolarHBondContact O-N 3.43Å
609	P	38.8	Very low	55.9	Low	112 Å²	112	120.7 Å²	120.7	73%	0.727	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-66.9	117.3	175.5	27.2	-32.8	0	0	0	109.3
610	Q	37.9	Very low	55.7	Low	171 Å²	171	121.4 Å²	121.4	80%	0.799	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-70.7	134	172.6	-73	-179	-30.2	0	0	109.9	L608	L608-Q610 PolarHBondContact O-N 3.43Å
611	T	46.8	Very low	55.4	Low	105 Å²	105	118.9 Å²	118.9	64%	0.644	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-75.9	152.1	174.1	43.4	0	0	0	0	111.2	S613	T611-S613 PolarHBondContact O-N 2.82Å
612	P	51.7	Low	55.3	Low	114 Å²	114	114.8 Å²	114.8	74%	0.74	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-2.2	-163.3	-23.8	35.5	0	0	0	117.7
613	S	50	Low	55.4	Low	70 Å²	70	111.7 Å²	111.7	49%	0.49	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.8	-43.7	-176.5	52	0	0	0	0	113.4	T611 L615 V616 E617	T611-S613 PolarHBondContact O-N 2.82Å; S613-L615 VanDerWaalsContact C-N 3.28Å; S613-L615 PolarHBondContact O-N 3.42Å; S613-V616 WeakPolarHBondContact O-CB 3.38Å; S613-V616 PolarHBondContact O-N 3Å; S613-E617 PolarHBondContact O-N 2.69Å
614	H	50.3	Low	55.1	Low	99 Å²	99	116.4 Å²	116.4	46%	0.458	62%	0.616	S	S	.	*	H	α-helix	trans	-64.1	-33	-169.2	-150	-59.2	0	0	0	112.9	V616 E617 D618	H614-V616 VanDerWaalsContact C-N 3.25Å; H614-V616 PolarHBondContact O-N 3.04Å; H614-E617 PolarHBondContact O-N 3.09Å; H614-D618 IonicContact CE1-OD1 3.3Å; H614-D618 PolarHBondContact CE1-OD1 2.77Å; H614-D618 IonicContact ND1-OD1 3.68Å; H614-D618 PolarHBondContact ND1-OD1 3.26Å; H614-D618 VanDerWaalsContact ND1-OD1 3.17Å; H614-D618 IonicContact ND1-OD2 2.7Å; H614-D618 PolarHBondContact ND1-OD2 3.33Å; H614-D618 PolarHBondContact O-N 3.47Å
615	L	56.4	Low	54.8	Low	119 Å²	119	118.2 Å²	118.2	62%	0.623	62%	0.615	S	S	*	*	H	α-helix	trans	-66.8	-27.3	177.4	-158.9	84.5	0	0	0	112.4	S613 L619	S613-L615 VanDerWaalsContact C-N 3.28Å; S613-L615 PolarHBondContact O-N 3.42Å; L615-L619 HydrophobicContact CD2-CD1 4.49Å; L615-L619 HydrophobicContact CG-CD1 4.39Å; L615-L619 VanDerWaalsContact O-CB 3.31Å; L615-L619 WeakPolarHBondContact O-CB 3.18Å; L615-L619 WeakPolarHBondContact O-CD1 3.27Å; L615-L619 WeakPolarHBondContact O-CG 3.18Å; L615-L619 PolarHBondContact O-N 3.41Å; L615-L619 VanDerWaalsContact O-N 3.13Å
616	V	65.2	Low	55	Low	80 Å²	80	118.7 Å²	118.7	49%	0.485	61%	0.614	S	S	.	*	H	α-helix	trans	-77.8	-33.4	178.8	-178.6	0	0	0	0	110.8	S613 H614 Q620	S613-V616 WeakPolarHBondContact O-CB 3.38Å; S613-V616 PolarHBondContact O-N 3Å; H614-V616 VanDerWaalsContact C-N 3.25Å; H614-V616 PolarHBondContact O-N 3.04Å; V616-Q620 WeakPolarHBondContact O-CG 3.39Å; V616-Q620 PolarHBondContact O-N 3.06Å; V616-Q620 VanDerWaalsContact O-N 3.11Å
617	E	64.6	Low	55.1	Low	117 Å²	117	112.9 Å²	112.9	55%	0.547	60%	0.599	S	S	.	*	H	α-helix	trans	-71.3	-48.9	175.2	-67.3	167	135.1	0	0	109.9	S613 H614 L619 Q620 D621	S613-E617 PolarHBondContact O-N 2.69Å; H614-E617 PolarHBondContact O-N 3.09Å; E617-L619 VanDerWaalsContact C-N 3.31Å; E617-L619 PolarHBondContact O-N 2.83Å; E617-Q620 PolarHBondContact O-N 2.74Å; E617-Q620 VanDerWaalsContact O-N 3.1Å; E617-D621 PolarHBondContact O-N 3.31Å
618	D	62.7	Low	55.1	Low	83 Å²	83	111.2 Å²	111.2	44%	0.444	59%	0.593	S	S	.	*	H	α-helix	trans	-56.8	-41.7	175	-62.2	-17.8	0	0	0	112.2	H614 D621 V622	H614-D618 IonicContact CE1-OD1 3.3Å; H614-D618 PolarHBondContact CE1-OD1 2.77Å; H614-D618 IonicContact ND1-OD1 3.68Å; H614-D618 PolarHBondContact ND1-OD1 3.26Å; H614-D618 VanDerWaalsContact ND1-OD1 3.17Å; H614-D618 IonicContact ND1-OD2 2.7Å; H614-D618 PolarHBondContact ND1-OD2 3.33Å; H614-D618 PolarHBondContact O-N 3.47Å; D618-D621 PolarHBondContact O-N 3.27Å; D618-V622 WeakPolarHBondContact O-CG2 3.5Å; D618-V622 PolarHBondContact O-N 2.72Å
619	L	65.1	Low	55.2	Low	99 Å²	99	113 Å²	113	52%	0.518	60%	0.598	S	S	.	*	H	α-helix	trans	-70.1	-32.2	177.2	-77.3	170.8	0	0	0	113.4	L615 E617 I623	L615-L619 HydrophobicContact CD2-CD1 4.49Å; L615-L619 HydrophobicContact CG-CD1 4.39Å; L615-L619 VanDerWaalsContact O-CB 3.31Å; L615-L619 WeakPolarHBondContact O-CB 3.18Å; L615-L619 WeakPolarHBondContact O-CD1 3.27Å; L615-L619 WeakPolarHBondContact O-CG 3.18Å; L615-L619 PolarHBondContact O-N 3.41Å; L615-L619 VanDerWaalsContact O-N 3.13Å; E617-L619 VanDerWaalsContact C-N 3.31Å; E617-L619 PolarHBondContact O-N 2.83Å; L619-I623 WeakPolarHBondContact O-CD1 3.08Å; L619-I623 WeakPolarHBondContact O-CG1 3.47Å; L619-I623 PolarHBondContact O-N 2.98Å
620	Q	64.2	Low	55.2	Low	127 Å²	127	113 Å²	113	59%	0.593	60%	0.6	S	S	*	*	H	α-helix	trans	-70.8	-39.8	174.6	-78.9	-179.2	35.8	0	0	111.6	V616 E617 I623 K624	V616-Q620 WeakPolarHBondContact O-CG 3.39Å; V616-Q620 PolarHBondContact O-N 3.06Å; V616-Q620 VanDerWaalsContact O-N 3.11Å; E617-Q620 PolarHBondContact O-N 2.74Å; E617-Q620 VanDerWaalsContact O-N 3.1Å; Q620-I623 PolarHBondContact O-N 2.83Å; Q620-K624 WeakPolarHBondContact O-CB 3.42Å; Q620-K624 PolarHBondContact O-N 3.28Å
621	D	65.6	Low	55.2	Low	93 Å²	93	107.2 Å²	107.2	50%	0.497	59%	0.587	S	S	.	*	H	α-helix	trans	-68.3	-32.6	178	-84.6	-16.6	0	0	0	112.7	E617 D618 K624 Q625	E617-D621 PolarHBondContact O-N 3.31Å; D618-D621 PolarHBondContact O-N 3.27Å; D621-K624 PolarHBondContact O-N 2.68Å; D621-Q625 WeakPolarHBondContact O-CG 3.27Å; D621-Q625 PolarHBondContact O-N 3.04Å
622	V	64.3	Low	54.6	Low	75 Å²	75	110.6 Å²	110.6	46%	0.455	60%	0.6	S	S	.	*	H	α-helix	trans	-64.8	-50.5	171.1	170.9	0	0	0	0	111.7	D618 K624 Q625 E626	D618-V622 WeakPolarHBondContact O-CG2 3.5Å; D618-V622 PolarHBondContact O-N 2.72Å; V622-K624 PolarHBondContact O-N 2.88Å; V622-Q625 PolarHBondContact O-N 2.84Å; V622-Q625 VanDerWaalsContact O-N 3.12Å; V622-E626 PolarHBondContact O-N 2.87Å
623	I	66.2	Low	53.6	Low	110 Å²	110	111.3 Å²	111.3	56%	0.564	60%	0.602	S	S	*	*	H	α-helix	trans	-60.6	-31.7	179	-69	167.5	0	0	0	111.3	L619 Q620 S627	L619-I623 WeakPolarHBondContact O-CD1 3.08Å; L619-I623 WeakPolarHBondContact O-CG1 3.47Å; L619-I623 PolarHBondContact O-N 2.98Å; Q620-I623 PolarHBondContact O-N 2.83Å; I623-S627 PolarHBondContact O-N 3.2Å; I623-S627 PolarHBondContact O-OG 2.74Å
624	K	63	Low	52.7	Low	125 Å²	125	112.9 Å²	112.9	54%	0.543	62%	0.619	S	S	.	*	H	α-helix	trans	-74.9	-37.3	177	-165.9	174.6	177.1	-170.3	0	112.7	Q620 D621 V622 S627 D628	Q620-K624 WeakPolarHBondContact O-CB 3.42Å; Q620-K624 PolarHBondContact O-N 3.28Å; D621-K624 PolarHBondContact O-N 2.68Å; V622-K624 PolarHBondContact O-N 2.88Å; K624-S627 WeakPolarHBondContact CA-OG 3.17Å; K624-S627 PolarHBondContact O-N 3.1Å; K624-S627 PolarHBondContact O-OG 3.39Å; K624-D628 PolarHBondContact O-N 3.25Å
625	Q	52.2	Low	51.6	Low	140 Å²	140	115.6 Å²	115.6	65%	0.654	63%	0.632	S	S	*	*	H	α-helix	trans	-64	-44.1	170.9	-75.3	176.2	9.4	0	0	111.8	D621 V622 S627 D628 E629	D621-Q625 WeakPolarHBondContact O-CG 3.27Å; D621-Q625 PolarHBondContact O-N 3.04Å; V622-Q625 PolarHBondContact O-N 2.84Å; V622-Q625 VanDerWaalsContact O-N 3.12Å; Q625-S627 PolarHBondContact O-N 3.11Å; Q625-D628 PolarHBondContact O-N 3.09Å; Q625-E629 PolarHBondContact O-N 3.21Å
626	E	53	Low	50.2	Low	139 Å²	139	119 Å²	119	65%	0.65	64%	0.641	S	S	*	*	H	α-helix	trans	-63.8	-24.2	177.4	-69.7	-173.1	156.9	0	0	113.5	V622	V622-E626 PolarHBondContact O-N 2.87Å
627	S	48.9	Very low	48.5	Very low	80 Å²	80	123.6 Å²	123.6	56%	0.559	66%	0.658	S	S	*	*	H	α-helix	trans	-89.8	-16.3	178.2	38.4	0	0	0	0	114.7	I623 K624 Q625	I623-S627 PolarHBondContact O-N 3.2Å; I623-S627 PolarHBondContact O-OG 2.74Å; K624-S627 WeakPolarHBondContact CA-OG 3.17Å; K624-S627 PolarHBondContact O-N 3.1Å; K624-S627 PolarHBondContact O-OG 3.39Å; Q625-S627 PolarHBondContact O-N 3.11Å
628	D	45.3	Very low	46.9	Very low	136 Å²	136	125.6 Å²	125.6	73%	0.727	67%	0.667	S	S	*	*	H	α-helix	trans	-89.8	-18.4	173.4	-81	-29.8	0	0	0	113.4	K624 Q625	K624-D628 PolarHBondContact O-N 3.25Å; Q625-D628 PolarHBondContact O-N 3.09Å
629	E	46.4	Very low	45.2	Very low	178 Å²	178	128 Å²	128	83%	0.832	68%	0.68	S	S	*	*	S	Bend	trans	-87.5	2	178.1	-145.5	-175.6	157.4	0	0	114.4	Q625 G631	Q625-E629 PolarHBondContact O-N 3.21Å; E629-G631 PolarHBondContact O-N 3.46Å
630	S	39.5	Very low	43.5	Very low	112 Å²	112	126.9 Å²	126.9	78%	0.783	69%	0.692	S	S	*	*	S	Bend	trans	-99.7	49.4	178.7	-70.1	0	0	0	0	113.5
631	G	37.7	Very low	42.5	Very low	51 Å²	51	126.9 Å²	126.9	53%	0.526	70%	0.703	S	S	.	*			trans	-148.2	145.7	177	0	0	0	0	0	112.9	E629	E629-G631 PolarHBondContact O-N 3.46Å
632	I	34.8	Very low	41.9	Very low	176 Å²	176	127.8 Å²	127.8	90%	0.903	71%	0.714	S	S	*	*			trans	69.3	112.4	-170.3	-41.6	159.5	0	0	0	110.1
633	V	29.7	Very low	40.2	Very low	129 Å²	129	131.8 Å²	131.8	78%	0.782	73%	0.732	S	S	*	*			cis	-126.7	144.4	29.4	175.6	0	0	0	0	111.7
634	A	31.9	Very low	38.5	Very low	103 Å²	103	132.7 Å²	132.7	85%	0.851	74%	0.737	S	S	*	*			trans	-141.3	90.5	169.4	0	0	0	0	0	112.3
635	E	26.3	Very low	37.1	Very low	156 Å²	156	135.1 Å²	135.1	73%	0.729	75%	0.748	S	S	*	*			trans	-155.5	139.3	164.8	-102.8	179.6	155.8	0	0	105.4
636	F	27.7	Very low	36.1	Very low	189 Å²	189	136.8 Å²	136.8	83%	0.829	75%	0.753	S	S	*	*			cis	-123.3	167.6	22.7	-89.1	-100.7	0	0	0	114.6
637	Q	29.5	Very low	35	Very low	177 Å²	177	136.8 Å²	136.8	83%	0.827	76%	0.756	S	S	*	*			trans	-108.8	133.9	177.7	160	-173.4	71.2	0	0	110.6
638	E	30	Very low	34.1	Very low	160 Å²	160	141.4 Å²	141.4	75%	0.748	77%	0.766	S	S	*	*			trans	-168.9	153.9	131.1	-120.4	-173.9	99.3	0	0	114.3
639	N	27.2	Very low	33.3	Very low	134 Å²	134	141.6 Å²	141.6	72%	0.717	76%	0.763	S	S	*	*			trans	59.1	100	158.8	-60.1	-41	0	0	0	121.1
640	G	29.1	Very low	32.3	Very low	74 Å²	74	140.7 Å²	140.7	76%	0.763	76%	0.758	S	S	*	*			trans	-85.9	-149.2	152.4	0	0	0	0	0	112.3
641	P	44.4	Very low	31.8	Very low	128 Å²	128	141.1 Å²	141.1	83%	0.831	76%	0.756	S	S	*	*			cis	-122.2	169.9	18.1	41.1	-28.9	0	0	0	115.9
642	P	53	Low	31.3	Very low	112 Å²	112	147.3 Å²	147.3	73%	0.727	77%	0.771	S	S	*	*			trans	-105.3	-178.1	179.5	41.9	-35.9	0	0	0	113.5
643	L	28.6	Very low	31.2	Very low	159 Å²	159	143.8 Å²	143.8	83%	0.832	76%	0.763	S	S	*	*			trans	179.5	131.8	142.9	-91.1	151.2	0	0	0	106.9
644	L	30.4	Very low	31.8	Very low	128 Å²	128	143.6 Å²	143.6	67%	0.67	76%	0.764	S	S	*	*			cis	71.1	119.6	46.8	-83.3	177.3	0	0	0	116.7
645	K	32.7	Very low	31.7	Very low	176 Å²	176	144.4 Å²	144.4	77%	0.765	76%	0.758	S	S	*	*			trans	75.9	157.1	161.5	-57.3	156.7	-176.2	170.7	0	113.3
646	K	31	Very low	32	Very low	175 Å²	175	143.1 Å²	143.1	76%	0.761	76%	0.757	S	S	*	*			cis	-166.2	174.1	17.5	-144.7	177.1	179.3	-175.6	0	110.4
647	I	31.5	Very low	32.2	Very low	140 Å²	140	143 Å²	143	72%	0.718	76%	0.756	S	S	*	*			trans	70.7	126.5	157.7	-66.5	156.3	0	0	0	114.8
648	K	29	Very low	32.2	Very low	177 Å²	177	140.4 Å²	140.4	77%	0.77	76%	0.757	S	S	*	*			cis	91.8	136.5	27.6	-163.5	-164.5	175.3	-165.6	0	114
649	Q	28.3	Very low	32.1	Very low	139 Å²	139	136.1 Å²	136.1	65%	0.65	76%	0.756	S	S	*	*			trans	107.9	94.1	150.6	-157.4	159.7	10.2	0	0	118.8
650	E	27	Very low	32.5	Very low	159 Å²	159	137 Å²	137	74%	0.743	76%	0.76	S	S	*	*				65.7	168.5	109.3	-151.9	167.1	-118.4	0	0	121.6
651	V	28.1	Very low	32.3	Very low	122 Å²	122	142.1 Å²	142.1	74%	0.739	76%	0.762	S	S	*	*			trans	79.3	89.9	170.9	-165.2	0	0	0	0	118
652	E	26.8	Very low	31.5	Very low	180 Å²	180	144.3 Å²	144.3	84%	0.841	76%	0.759	S	S	*	*				32.5	151.9	111.9	-153.9	156.7	-162.8	0	0	122.2
653	S	32.3	Very low	30.3	Very low	103 Å²	103	144.8 Å²	144.8	72%	0.72	76%	0.763	S	S	*	*			trans	-85.6	173.3	-177.6	57.4	0	0	0	0	114.3
654	P	43.9	Very low	30.1	Very low	124 Å²	124	141.4 Å²	141.4	81%	0.805	75%	0.753	S	S	*	*				-143.2	-177.3	123.6	37.6	-23	0	0	0	115.9
655	T	29.5	Very low	30.2	Very low	121 Å²	121	143.5 Å²	143.5	74%	0.742	76%	0.759	S	S	*	*			trans	-88.7	-166.2	-166.3	58	0	0	0	0	113.4
656	D	31.2	Very low	29.8	Very low	129 Å²	129	142.9 Å²	142.9	69%	0.69	76%	0.758	S	S	*	*			cis	-171.6	-178.9	19.6	-140.5	-47.4	0	0	0	114
657	K	33.3	Very low	29.9	Very low	187 Å²	187	144.7 Å²	144.7	81%	0.813	76%	0.76	S	S	*	*			trans	83.5	140.1	165.9	-56.5	150.4	-168.6	174.8	0	117.2
658	S	28.1	Very low	30	Very low	121 Å²	121	146.3 Å²	146.3	85%	0.846	77%	0.765	S	S	*	*			cis	178.2	153.7	-18.3	50.3	0	0	0	0	108.4
659	G	29.7	Very low	30	Very low	70 Å²	70	141.2 Å²	141.2	72%	0.722	76%	0.763	S	S	*	*			cis	165.9	163	-3.8	0	0	0	0	0	111.8
660	N	35.1	Very low	30.1	Very low	152 Å²	152	142.1 Å²	142.1	81%	0.813	77%	0.772	S	S	*	*			trans	60.5	120.6	170.3	-62.1	-1.7	0	0	0	121.1
661	F	25.3	Very low	30.2	Very low	182 Å²	182	139.4 Å²	139.4	80%	0.798	77%	0.771	S	S	*	*				-173.1	122.6	97.6	-118.1	-98.6	0	0	0	115
662	F	26	Very low	30.3	Very low	175 Å²	175	140.9 Å²	140.9	77%	0.768	77%	0.774	S	S	*	*			trans	63.4	133.2	145.3	-98.1	-104.1	0	0	0	127.8
663	C	27.5	Very low	30.2	Very low	122 Å²	122	138.9 Å²	138.9	82%	0.824	77%	0.769	S	S	*	*			trans	92.1	152.9	141.8	-121.1	0	0	0	0	122.2
664	S	25.3	Very low	29.9	Very low	87 Å²	87	139 Å²	139	61%	0.608	77%	0.765	S	S	*	*			trans	-161.6	165.8	-161	-168.5	0	0	0	0	113.7
665	H	31.6	Very low	29.2	Very low	172 Å²	172	141.1 Å²	141.1	80%	0.796	76%	0.764	S	S	*	*			trans	61.4	136.1	167.6	-57	-71.9	0	0	0	120.3
666	H	24.8	Very low	29.1	Very low	164 Å²	164	141.7 Å²	141.7	76%	0.759	76%	0.762	S	S	*	*				-177	179.2	91.6	-158.7	-100.9	0	0	0	113
667	W	32.9	Very low	28.8	Very low	212 Å²	212	143.8 Å²	143.8	80%	0.803	77%	0.765	S	S	*	*			trans	-112.4	174.6	-177.7	-81.9	88.7	0	0	0	114.2
668	E	35.1	Very low	28.6	Very low	174 Å²	174	141.8 Å²	141.8	81%	0.813	77%	0.769	S	S	*	*			trans	67.8	161.4	158.2	-70.8	150.3	-177.1	0	0	117.7
669	G	28.6	Very low	28.5	Very low	70 Å²	70	144 Å²	144	72%	0.722	77%	0.766	S	S	*	*			cis	-179.7	170.8	-3.7	0	0	0	0	0	113.5
670	D	28.8	Very low	28.6	Very low	159 Å²	159	147.6 Å²	147.6	85%	0.85	77%	0.774	S	S	*	*			trans	37.5	125.7	158.8	-71.4	-23.8	0	0	0	126.6
671	S	30.2	Very low	28.3	Very low	102 Å²	102	145.5 Å²	145.5	71%	0.713	77%	0.771	S	S	*	*				84.5	123.8	126.6	76.8	0	0	0	0	125.7
672	L	30.7	Very low	29.5	Very low	153 Å²	153	142.4 Å²	142.4	80%	0.801	77%	0.769	S	S	*	*			trans	65	130.4	131.8	-64.7	174.8	0	0	0	126
673	N	24.5	Very low	29.7	Very low	138 Å²	138	140.7 Å²	140.7	74%	0.738	77%	0.773	S	S	*	*			trans	71.6	176.9	146.4	-78.8	-59	0	0	0	122.1
674	T	25.4	Very low	29.8	Very low	105 Å²	105	139.2 Å²	139.2	64%	0.644	77%	0.77	S	S	*	*				-164.6	153.6	-76.2	-59.1	0	0	0	0	109.8
675	Q	28.7	Very low	29.9	Very low	169 Å²	169	143 Å²	143	79%	0.79	78%	0.783	S	S	*	*			trans	76.6	165.7	169.4	-39	-171.5	-1.8	0	0	116.9
676	L	28	Very low	30	Very low	133 Å²	133	140 Å²	140	70%	0.696	79%	0.788	S	S	*	*			cis	-158.5	142.6	2.7	-159.2	66.5	0	0	0	114.3
677	F	25.8	Very low	31.1	Very low	172 Å²	172	137.1 Å²	137.1	75%	0.754	78%	0.784	S	S	*	*			trans	25.6	143.7	152.1	-76.7	-121.6	0	0	0	125.8
678	T	28.1	Very low	31.3	Very low	145 Å²	145	133.6 Å²	133.6	89%	0.89	78%	0.781	S	S	*	*				-175.8	179.6	107.7	25.9	0	0	0	0	114.1
679	Q	25.5	Very low	31.6	Very low	168 Å²	168	132.1 Å²	132.1	79%	0.785	78%	0.777	S	S	*	*			trans	-113.3	162.2	-158.6	-49.1	173.4	13.1	0	0	116.4
680	T	32.5	Very low	31.8	Very low	146 Å²	146	135.7 Å²	135.7	90%	0.896	78%	0.779	S	S	*	*				179.3	160.5	120	25.6	0	0	0	0	112.6
681	S	29	Very low	31.9	Very low	107 Å²	107	133.5 Å²	133.5	75%	0.748	77%	0.771	S	S	*	*			trans	-160.5	152	178.1	175.9	0	0	0	0	111.3
682	P	50.3	Low	32	Very low	117 Å²	117	133 Å²	133	76%	0.76	77%	0.768	S	S	*	*				-147.1	136.1	127	34.3	-17.2	0	0	0	117.4
683	V	29.5	Very low	32.1	Very low	140 Å²	140	131.1 Å²	131.1	85%	0.848	77%	0.767	S	S	*	*			trans	55.9	99.5	138.5	-170.5	0	0	0	0	120.4
684	A	30.4	Very low	32.3	Very low	90 Å²	90	132.3 Å²	132.3	74%	0.744	77%	0.772	S	S	*	*	S	Bend		-168.2	135.4	120.8	0	0	0	0	0	109.5
685	D	26.6	Very low	33	Very low	168 Å²	168	134.8 Å²	134.8	90%	0.898	78%	0.78	S	S	*	*			trans	45.1	116.8	-179.7	-65.5	-23	0	0	0	118.5
686	A	34.3	Very low	33.1	Very low	108 Å²	108	135.6 Å²	135.6	89%	0.893	79%	0.786	S	S	*	*			trans	-107.4	126.3	-161.8	0	0	0	0	0	115.5
687	P	49.2	Very low	33.6	Very low	104 Å²	104	133.4 Å²	133.4	68%	0.675	79%	0.787	S	S	*	*			trans	-126.7	-175.4	177.7	42.8	-31.5	0	0	0	115.4
688	N	37	Very low	34.7	Very low	138 Å²	138	130.9 Å²	130.9	74%	0.738	79%	0.789	S	S	*	*			trans	89	135.5	142.7	-79.4	-21.6	0	0	0	124.3
689	I	40.3	Very low	34.5	Very low	142 Å²	142	128.5 Å²	128.5	73%	0.728	78%	0.784	S	S	*	*			trans	75.4	128.8	136.7	69.5	-179.9	0	0	0	126.8
690	L	33.8	Very low	34.8	Very low	145 Å²	145	125 Å²	125	76%	0.759	78%	0.777	S	S	*	*			trans	74.1	113.3	137.4	-70	167.2	0	0	0	123.7
691	T	31.2	Very low	34.7	Very low	113 Å²	113	126.1 Å²	126.1	69%	0.693	77%	0.773	S	S	*	*				83.1	133.1	122.1	-56.5	0	0	0	0	122.5
692	S	31.4	Very low	34.9	Very low	93 Å²	93	128.6 Å²	128.6	65%	0.65	78%	0.778	S	S	*	*			trans	58.8	103.8	157.9	66.5	0	0	0	0	121.1
693	S	32.3	Very low	34.1	Very low	112 Å²	112	131.8 Å²	131.8	78%	0.783	78%	0.782	S	S	*	*				64.6	163.1	110.9	-51.5	0	0	0	0	122.2
694	I	28.8	Very low	34.3	Very low	163 Å²	163	131.3 Å²	131.3	84%	0.836	78%	0.775	S	S	*	*			trans	90.6	113.1	164.2	-59	175.8	0	0	0	116.3
695	L	41	Very low	34.3	Very low	157 Å²	157	134.7 Å²	134.7	82%	0.822	78%	0.78	S	S	*	*			trans	-52.1	149.9	164.4	-61.5	147.6	0	0	0	112.8
696	M	30.3	Very low	34.6	Very low	186 Å²	186	131.6 Å²	131.6	92%	0.916	77%	0.767	S	S	*	*			trans	-146.8	158.2	132.1	-96.3	-51.4	154.1	0	0	111.5
697	A	38	Very low	34.6	Very low	87 Å²	87	133.9 Å²	133.9	72%	0.719	76%	0.764	S	S	*	*			trans	-90.2	-151.9	170.2	0	0	0	0	0	108.7
698	P	48.7	Very low	33.8	Very low	120 Å²	120	138.3 Å²	138.3	78%	0.779	77%	0.772	S	S	*	*			cis	-140.8	-158.6	11.4	44.4	-23.4	0	0	0	114.9
699	A	24.8	Very low	33.5	Very low	95 Å²	95	136 Å²	136	79%	0.785	77%	0.772	S	S	*	*			trans	78.3	157.9	164	0	0	0	0	0	115.8
700	S	31.3	Very low	33	Very low	93 Å²	93	138.5 Å²	138.5	65%	0.65	78%	0.778	S	S	*	*			cis	-155.3	155.5	15.9	62.5	0	0	0	0	113.7
701	E	31.3	Very low	32.7	Very low	171 Å²	171	138.2 Å²	138.2	80%	0.799	78%	0.783	S	S	*	*			trans	62.2	111.4	156	-24.7	-166.5	151.5	0	0	116.4
702	D	32	Very low	32.7	Very low	159 Å²	159	139.3 Å²	139.3	85%	0.85	79%	0.789	S	S	*	*				72.1	118.1	65.7	-69.4	-47.4	0	0	0	114.8
703	E	34.8	Very low	33.2	Very low	184 Å²	184	140.1 Å²	140.1	86%	0.86	79%	0.792	S	S	*	*			trans	-173.3	153.7	133.8	-105.3	-59.3	149.6	0	0	110.5
704	D	33.1	Very low	33.2	Very low	130 Å²	130	143.7 Å²	143.7	70%	0.695	79%	0.794	S	S	*	*			trans	-92.3	150.8	-161.3	-106.8	-50.5	0	0	0	114.7
705	N	29.9	Very low	33.2	Very low	160 Å²	160	144 Å²	144	86%	0.856	80%	0.797	S	S	*	*			trans	-157.8	161.3	135	-122.6	-84.3	0	0	0	115.6
706	V	32.7	Very low	32.6	Very low	103 Å²	103	147.3 Å²	147.3	62%	0.624	80%	0.798	S	S	*	*			trans	-124.5	137.7	-151.9	-169.4	0	0	0	0	112.1
707	L	35.3	Very low	32.6	Very low	156 Å²	156	143.1 Å²	143.1	82%	0.817	79%	0.787	S	S	*	*				161.7	100.7	128.3	-84.4	167.2	0	0	0	115.4
708	K	32.5	Very low	32.1	Very low	197 Å²	197	147 Å²	147	86%	0.857	80%	0.795	S	S	*	*			trans	27.7	122.4	135.7	-74.4	-179.7	177.4	174.2	0	122.2
709	A	29.8	Very low	31	Very low	89 Å²	89	145.4 Å²	145.4	74%	0.736	79%	0.792	S	S	*	*				110.8	113.4	116.3	0	0	0	0	0	121.9
710	F	29.8	Very low	31.3	Very low	195 Å²	195	145.9 Å²	145.9	86%	0.855	79%	0.79	S	S	*	*			trans	26.8	115.9	132.4	-74	-90.6	0	0	0	120.5
711	T	27.9	Very low	31.8	Very low	139 Å²	139	147.2 Å²	147.2	85%	0.853	80%	0.796	S	S	*	*				177.6	163.4	98.4	30.8	0	0	0	0	113
712	V	31.3	Very low	31.5	Very low	136 Å²	136	146 Å²	146	82%	0.824	80%	0.795	S	S	*	*			trans	-119.4	130.7	174.6	167	0	0	0	0	106.5
713	P	42.6	Very low	31.7	Very low	111 Å²	111	145.9 Å²	145.9	72%	0.721	79%	0.789	S	S	*	*				-158.5	164.5	94.2	41	-20.7	0	0	0	119.6
714	K	32.1	Very low	31.9	Very low	187 Å²	187	142.5 Å²	142.5	81%	0.813	78%	0.783	S	S	*	*			trans	11.2	135.4	144.9	-57.9	170.2	179.5	170.7	0	119.2
715	N	27.5	Very low	31.4	Very low	168 Å²	168	141.2 Å²	141.2	90%	0.898	78%	0.783	S	S	*	*				-168.3	175	106.8	-105.1	-43.1	0	0	0	117.7
716	R	29.6	Very low	31.2	Very low	228 Å²	228	138.1 Å²	138.1	86%	0.86	77%	0.774	S	S	*	*			trans	-92.1	147.1	-157.9	-122.6	178.8	174.6	167.1	-3.9	116
717	S	29.9	Very low	31	Very low	98 Å²	98	138 Å²	138	69%	0.685	78%	0.777	S	S	*	*				58.3	135.7	126.4	-176.6	0	0	0	0	123.1
718	L	27.1	Very low	30.6	Very low	167 Å²	167	135.9 Å²	135.9	87%	0.874	77%	0.771	S	S	*	*			trans	158.1	157.9	140.4	-85.3	163.5	0	0	0	106.8
719	A	26.2	Very low	30.4	Very low	88 Å²	88	138.1 Å²	138.1	73%	0.727	77%	0.774	S	S	*	*			cis	-178.6	169.7	-22	0	0	0	0	0	106.7
720	S	30	Very low	30.3	Very low	105 Å²	105	141.7 Å²	141.7	73%	0.734	78%	0.776	S	S	*	*			trans	-71.9	163.9	-173.9	-37.3	0	0	0	0	115.3
721	P	42.5	Very low	31.2	Very low	121 Å²	121	137.8 Å²	137.8	79%	0.786	77%	0.77	S	S	*	*				-134.2	167.4	75.2	28.7	-9.2	0	0	0	113.7
722	L	26.1	Very low	31.2	Very low	146 Å²	146	134.5 Å²	134.5	76%	0.764	76%	0.757	S	S	*	*			cis	98.6	110.8	21.7	-81.7	174.3	0	0	0	117.4
723	Q	34.4	Very low	31.1	Very low	156 Å²	156	133.7 Å²	133.7	73%	0.729	76%	0.758	S	S	*	*			trans	69.2	157.6	167.4	-69.5	-62.7	-52.6	0	0	117
724	P	39.4	Very low	30.4	Very low	112 Å²	112	134.5 Å²	134.5	73%	0.727	76%	0.764	S	S	*	*			cis	-130.9	167.9	15.3	43.4	-27.6	0	0	0	119.1
725	C	23.4	Very low	30.4	Very low	104 Å²	104	128.7 Å²	128.7	70%	0.703	76%	0.757	S	S	*	*			trans	28.1	159.9	136.7	-65.3	0	0	0	0	124.1
726	S	26.2	Very low	30.6	Very low	94 Å²	94	129.5 Å²	129.5	66%	0.657	75%	0.753	S	S	*	*			cis	-178.1	171.1	-18	58	0	0	0	0	111.9
727	S	27.7	Very low	31.3	Very low	100 Å²	100	127.1 Å²	127.1	70%	0.699	75%	0.753	S	S	*	*			trans	68.1	159.7	154	45.8	0	0	0	0	117.4
728	T	26.1	Very low	31.5	Very low	113 Å²	113	129.5 Å²	129.5	69%	0.693	75%	0.754	S	S	*	*			cis	-159.9	116.3	44.1	-61.8	0	0	0	0	116
729	W	29.3	Very low	31.7	Very low	243 Å²	243	129 Å²	129	92%	0.92	75%	0.747	S	S	*	*			trans	72.4	155.4	140	-65.1	35.7	0	0	0	123.9
730	E	28.4	Very low	32.1	Very low	165 Å²	165	131.1 Å²	131.1	77%	0.771	74%	0.742	S	S	*	*			trans	-86.2	-175.2	170.9	-132.3	-147	120.2	0	0	110.5	A732	E730-A732 PolarHBondContact OE1-N 3.41Å; E730-A732 VanDerWaalsContact OE1-N 3.09Å
731	P	48.7	Very low	32.3	Very low	113 Å²	113	133.3 Å²	133.3	73%	0.734	74%	0.742	S	S	*	*			cis	-154	175.3	41.2	45.8	-23.7	0	0	0	121.5
732	A	27.9	Very low	31.8	Very low	70 Å²	70	133.4 Å²	133.4	58%	0.579	74%	0.741	S	S	*	*			trans	98.5	126.1	132	0	0	0	0	0	124.2	E730	E730-A732 PolarHBondContact OE1-N 3.41Å; E730-A732 VanDerWaalsContact OE1-N 3.09Å
733	S	28	Very low	32.1	Very low	119 Å²	119	130.9 Å²	130.9	83%	0.832	74%	0.741	S	S	*	*			trans	73	148.7	138.7	-71.5	0	0	0	0	122.2
734	C	29	Very low	32.2	Very low	128 Å²	128	129 Å²	129	87%	0.865	75%	0.745	S	S	*	*			cis	-168.5	155.9	-22.8	-165.6	0	0	0	0	111.3
735	G	31.6	Very low	31.7	Very low	64 Å²	64	130 Å²	130	66%	0.66	75%	0.754	S	S	*	*			trans	121.9	99.8	170.1	0	0	0	0	0	113.2
736	K	31.9	Very low	32.2	Very low	185 Å²	185	134.2 Å²	134.2	80%	0.804	76%	0.764	S	S	*	*				57.3	117.8	76.4	-65.4	-156.2	169	-148.7	0	112.7
737	M	43.2	Very low	32.6	Very low	178 Å²	178	134.4 Å²	134.4	88%	0.877	77%	0.771	S	S	*	*				-162.3	128.8	61.6	166.9	-172.6	-50.9	0	0	107.4
738	E	35.3	Very low	33.2	Very low	148 Å²	148	141.5 Å²	141.5	69%	0.692	78%	0.782	S	S	*	*				67.7	91.8	50.5	-165.6	160.9	-138.6	0	0	111.8
739	E	30.6	Very low	33.6	Very low	158 Å²	158	145 Å²	145	74%	0.738	79%	0.788	S	S	*	*				-173.8	165.8	90.1	-79.7	-160.4	120.5	0	0	109.7
740	Q	33.8	Very low	33.9	Very low	132 Å²	132	144.1 Å²	144.1	62%	0.617	79%	0.786	S	S	*	*			cis	-158.4	155.1	-11.6	-115.9	-164.2	46.2	0	0	109.1
741	M	35.4	Very low	34.2	Very low	151 Å²	151	142.9 Å²	142.9	74%	0.744	79%	0.79	S	S	*	*			trans	39.5	149.2	140.4	-59.2	-157.3	-171.1	0	0	122.8
742	T	32.5	Very low	33.6	Very low	123 Å²	123	145.7 Å²	145.7	76%	0.755	80%	0.798	S	S	*	*			cis	-157.8	163.3	9.3	-5.7	0	0	0	0	113.9
743	A	32.2	Very low	33.9	Very low	92 Å²	92	146.1 Å²	146.1	76%	0.76	80%	0.802	S	S	*	*			trans	56.7	99.7	144.1	0	0	0	0	0	121.2
744	S	35.5	Very low	34.2	Very low	117 Å²	117	150.4 Å²	150.4	82%	0.818	81%	0.806	S	S	*	*				-179.1	104.6	96.1	-173.7	0	0	0	0	112
745	S	29.5	Very low	34.3	Very low	132 Å²	132	150.5 Å²	150.5	92%	0.923	81%	0.808	S	S	*	*			trans	-161.4	53.5	173.1	-85.6	0	0	0	0	113.4
746	Q	34.3	Very low	34.4	Very low	194 Å²	194	151.6 Å²	151.6	91%	0.907	81%	0.811	S	S	*	*			trans	-136.6	59.3	176.3	-167.3	151.5	-9.1	0	0	113.3
747	A	34.9	Very low	34.5	Very low	97 Å²	97	154.1 Å²	154.1	80%	0.802	82%	0.815	S	S	*	*			trans	-145.1	22.7	179	0	0	0	0	0	115.1
748	R	39.7	Very low	34.1	Very low	249 Å²	249	151.5 Å²	151.5	94%	0.94	81%	0.81	S	S	*	*			trans	-140.8	52.8	177.6	-68.4	-167.5	-175.3	165.8	5.2	114.6
749	K	33.8	Very low	33.9	Very low	186 Å²	186	151.8 Å²	151.8	81%	0.809	82%	0.815	S	S	*	*	S	Bend	trans	-131.6	156.5	156.3	-71.4	-175.2	178.2	176.3	0	108
750	Y	35	Very low	33.8	Very low	225 Å²	225	150.1 Å²	150.1	88%	0.882	82%	0.815	S	S	*	*	S	Bend	trans	75.1	44.8	-178.4	-48.8	-73.1	0	0	0	118.7
751	V	36.5	Very low	33.8	Very low	140 Å²	140	156.3 Å²	156.3	85%	0.848	85%	0.847	S	S	*	*			trans	-136.1	80.4	148.6	-171	0	0	0	0	110.1
752	N	34.8	Very low	33.8	Very low	171 Å²	171	156.6 Å²	156.6	91%	0.914	85%	0.853	S	S	*	*			trans	-176.7	87.5	154.6	-103.6	-22.7	0	0	0	109.7
753	A	34.7	Very low	33.8	Very low	80 Å²	80	158.3 Å²	158.3	66%	0.661	86%	0.858	S	S	*	*			trans	-148.2	149	168.1	0	0	0	0	0	109
754	F	34.1	Very low	33.9	Very low	209 Å²	209	162 Å²	162	92%	0.917	86%	0.863	S	S	*	*			trans	66	107.4	178.2	-60.4	-77.7	0	0	0	117.9
755	S	31.1	Very low	33.8	Very low	129 Å²	129	164.6 Å²	164.6	90%	0.902	87%	0.866	S	S	*	*			trans	-123.3	112.8	147.9	178	0	0	0	0	108.2
756	A	33.7	Very low	34.1	Very low	87 Å²	87	166.7 Å²	166.7	72%	0.719	86%	0.862	S	S	*	*			trans	-170.1	133.6	164.2	0	0	0	0	0	113.2
757	R	34.6	Very low	34.1	Very low	238 Å²	238	164.9 Å²	164.9	90%	0.898	86%	0.859	S	S	*	*			trans	60.2	103.4	148.9	-68	178.9	171.9	164.4	-2.3	121.1
758	T	33.9	Very low	34	Very low	123 Å²	123	169.7 Å²	169.7	76%	0.755	86%	0.863	S	S	*	*				39.1	114.3	107.4	-37.6	0	0	0	0	119.4
759	L	31	Very low	33.6	Very low	154 Å²	154	163.6 Å²	163.6	81%	0.806	86%	0.858	S	S	*	*				-169	145.8	107.9	-123	96.2	0	0	0	113.7
760	V	28.6	Very low	33.6	Very low	123 Å²	123	161.8 Å²	161.8	75%	0.745	86%	0.862	S	S	*	*			trans	14.9	120.1	146.4	-179.4	0	0	0	0	119.6
761	M	34.8	Very low	33.4	Very low	262 Å²	262	156 Å²	156	100%	1.291	86%	0.86	S	S	*	*				-147.1	0	106.9	-107.9	-176.1	177	0	0	110.8

Retrieved 761 of 761 residues in 225.9 ms (Link to these results)

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