A0A5K4FF61_SCHMA Loading...

HTH myb-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FF61, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 746 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	38.6	Very low	34.9	Very low	228 Å²	228	170.8 Å²	170.8	100%	1.123	84%	0.836	S	S	*	*				0	84.9	0	-67.8	176.7	71.6	0	0	107.7	D3	M1-D3 WeakPolarHBondContact CA-OD2 3.32Å
2	L	31.2	Very low	35.8	Very low	177 Å²	177	167.8 Å²	167.8	93%	0.927	81%	0.814	S	S	*	*			trans	-137	66.1	171.3	-95.3	169	0	0	0	104.9
3	D	33.3	Very low	36.3	Very low	134 Å²	134	164.8 Å²	164.8	72%	0.717	81%	0.805	S	S	*	*			trans	-149.4	128.4	-167	-50.6	-85.7	0	0	0	105.4	M1	M1-D3 WeakPolarHBondContact CA-OD2 3.32Å
4	E	36	Very low	36.6	Very low	182 Å²	182	160.3 Å²	160.3	85%	0.85	80%	0.798	S	S	*	*			cis	-131.6	154	-3.1	-63.3	171.1	90.4	0	0	109.9
5	L	33.2	Very low	36.6	Very low	163 Å²	163	159.4 Å²	159.4	85%	0.853	80%	0.798	S	S	*	*			trans	-106.8	114.7	162.1	-87.9	170.4	0	0	0	108.8	H7	L5-H7 PolarHBondContact O-N 3.29Å
6	P	39.2	Very low	36.8	Very low	123 Å²	123	158.4 Å²	158.4	80%	0.799	79%	0.794	S	S	*	*			trans	-64	133.7	176.8	25.7	-32.8	0	0	0	110.7
7	H	33.8	Very low	37	Very low	180 Å²	180	156.8 Å²	156.8	83%	0.833	79%	0.794	S	S	*	*			trans	-61.8	148.2	-164.7	-71.4	-97.8	0	0	0	115	L5 V9	L5-H7 PolarHBondContact O-N 3.29Å; H7-V9 PolarHBondContact O-N 3.44Å; H7-V9 VanDerWaalsContact O-N 3.12Å
8	R	30.9	Very low	37.3	Very low	248 Å²	248	157.9 Å²	157.9	94%	0.936	80%	0.8	S	S	*	*			trans	-57.8	112.3	158.9	-84.5	-175.1	167.3	-138.8	-0.3	109.6	N10	R8-N10 PolarHBondContact O-N 3.48Å
9	V	38.1	Very low	37.2	Very low	136 Å²	136	152.8 Å²	152.8	82%	0.824	79%	0.792	S	S	*	*			trans	-70.5	114.3	169.8	-178.2	0	0	0	0	109.2	H7	H7-V9 PolarHBondContact O-N 3.44Å; H7-V9 VanDerWaalsContact O-N 3.12Å
10	N	33.6	Very low	37.2	Very low	104 Å²	104	153.9 Å²	153.9	56%	0.556	80%	0.799	S	S	*	*			trans	-91	116.7	178.4	-172	23.5	0	0	0	109.6	R8 K12	R8-N10 PolarHBondContact O-N 3.48Å; N10-K12 PolarHBondContact O-N 3.02Å; N10-K12 VanDerWaalsContact O-N 3.11Å
11	W	36.1	Very low	37.2	Very low	204 Å²	204	150.3 Å²	150.3	77%	0.773	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	20.5	-165.9	51.1	-92.8	0	0	0	115.1
12	K	45.7	Very low	37.2	Very low	134 Å²	134	146.2 Å²	146.2	58%	0.583	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-23.6	-164.1	-73.4	-171.6	172.1	-175.9	0	116.1	N10	N10-K12 PolarHBondContact O-N 3.02Å; N10-K12 VanDerWaalsContact O-N 3.11Å
13	D	42.7	Very low	37.7	Very low	129 Å²	129	143.3 Å²	143.3	69%	0.69	77%	0.771	S	S	*	*	S	Bend	trans	-102.6	0.1	-158.3	-52	-45.7	0	0	0	114.8
14	S	40.5	Very low	37.9	Very low	102 Å²	102	142.2 Å²	142.2	71%	0.713	77%	0.774	S	S	*	*			trans	-87.6	1.7	-175.9	52.7	0	0	0	0	115.8	I16	S14-I16 PolarHBondContact O-N 3.2Å
15	N	35.7	Very low	38	Very low	147 Å²	147	140.7 Å²	140.7	79%	0.786	77%	0.771	S	S	*	*			trans	-99.1	53.1	-175.1	-78.9	-55.8	0	0	0	113.8
16	I	39.9	Very low	38.8	Very low	144 Å²	144	137.1 Å²	137.1	74%	0.738	76%	0.756	S	S	*	*			trans	-136.1	135	173.2	-45.1	-178.3	0	0	0	110.1	S14	S14-I16 PolarHBondContact O-N 3.2Å
17	T	40.2	Very low	38.9	Very low	131 Å²	131	135.9 Å²	135.9	80%	0.804	75%	0.747	S	S	*	*	S	Bend	trans	81.6	47.3	170.3	-26.6	0	0	0	0	118.7
18	I	43.5	Very low	38.9	Very low	176 Å²	176	130.3 Å²	130.3	90%	0.903	74%	0.737	S	S	*	*			trans	-129.5	119.9	143.9	-56.7	-178.2	0	0	0	108.2
19	G	34.8	Very low	39.2	Very low	62 Å²	62	127.2 Å²	127.2	64%	0.639	73%	0.731	S	S	*	*			trans	-90.9	160.5	-172.6	0	0	0	0	0	114.7
20	N	37.6	Very low	39.4	Very low	173 Å²	173	128.4 Å²	128.4	93%	0.925	73%	0.728	S	S	*	*	S	Bend	trans	62.7	99.6	159.2	-58.1	-10.1	0	0	0	118.2
21	G	36.1	Very low	39.5	Very low	80 Å²	80	128.9 Å²	128.9	83%	0.825	73%	0.726	S	S	*	*	S	Bend	trans	124.7	-21	138	0	0	0	0	0	118.1
22	L	38.3	Very low	39.5	Very low	141 Å²	141	124.5 Å²	124.5	74%	0.738	72%	0.722	S	S	*	*			trans	-98.1	129.3	-176.8	-65.7	177.7	0	0	0	112.5
23	T	43.1	Very low	39.2	Very low	116 Å²	116	126.7 Å²	126.7	71%	0.712	73%	0.734	S	S	*	*			trans	-69.5	134.7	173.2	45.3	0	0	0	0	110.4	L25	T23-L25 PolarHBondContact O-N 3.13Å
24	S	36.9	Very low	39.2	Very low	111 Å²	111	128.1 Å²	128.1	78%	0.776	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	44.4	-160.3	65.5	0	0	0	0	115.8
25	L	39.3	Very low	39.1	Very low	150 Å²	150	131.9 Å²	131.9	79%	0.785	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.5	-7	-179.9	-73.4	171.5	0	0	0	113.9	T23	T23-L25 PolarHBondContact O-N 3.13Å
26	T	48	Very low	39.4	Very low	89 Å²	89	136.4 Å²	136.4	55%	0.546	75%	0.747	S	S	.	*	S	Bend	trans	-102.4	-24.4	-174.7	52.9	0	0	0	0	114.4
27	T	43.1	Very low	39.7	Very low	97 Å²	97	136.4 Å²	136.4	60%	0.595	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-82.5	-21.6	-175	48.4	0	0	0	0	114.2	F29	T27-F29 PolarHBondContact O-N 3.29Å
28	G	32.8	Very low	39.9	Very low	62 Å²	62	137.5 Å²	137.5	64%	0.639	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-74.5	-0.9	-177.1	0	0	0	0	0	116.4
29	F	38.3	Very low	39.9	Very low	184 Å²	184	135 Å²	135	81%	0.807	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-112.9	-2.6	-174.6	-86.2	-79.1	0	0	0	115	T27	T27-F29 PolarHBondContact O-N 3.29Å
30	H	41	Very low	40.7	Very low	161 Å²	161	139.7 Å²	139.7	75%	0.745	73%	0.725	S	S	*	*	S	Bend	trans	-105.6	-17.9	-168.4	-153	-83.5	0	0	0	115.2
31	E	35.8	Very low	41.4	Very low	114 Å²	114	137.6 Å²	137.6	53%	0.533	72%	0.719	S	S	.	*	S	Bend	trans	-116	3.5	-165.3	-136.1	61.5	-135.9	0	0	115.5	K34	E31-K34 IonicContact OE1-NZ 2.87Å; E31-K34 PolarHBondContact OE1-NZ 2.99Å
32	T	37	Very low	42.7	Very low	112 Å²	112	135.6 Å²	135.6	69%	0.687	70%	0.698	S	S	*	*	S	Bend	trans	-115.5	37.9	-172.3	66	0	0	0	0	115.2
33	H	39.6	Very low	44.3	Very low	180 Å²	180	134.2 Å²	134.2	83%	0.833	70%	0.7	S	S	*	*	S	Bend	trans	-144.5	8	166.6	-98	-52	0	0	0	114.9	E35	H33-E35 VanDerWaalsContact C-N 3.25Å; H33-E35 PolarHBondContact O-N 3.48Å
34	K	43	Very low	46.4	Very low	159 Å²	159	131.4 Å²	131.4	69%	0.691	68%	0.677	S	S	*	*			trans	-76	-6.2	-170	-152.9	173.8	-171.1	174.9	0	114.8	E31	E31-K34 IonicContact OE1-NZ 2.87Å; E31-K34 PolarHBondContact OE1-NZ 2.99Å
35	E	38.2	Very low	48.8	Very low	180 Å²	180	129.4 Å²	129.4	84%	0.841	66%	0.66	S	S	*	*	S	Bend	trans	-123.8	87.2	-176.2	-64.5	-177.4	172.5	0	0	110.9	H33	H33-E35 VanDerWaalsContact C-N 3.25Å; H33-E35 PolarHBondContact O-N 3.48Å
36	R	41.9	Very low	51	Low	242 Å²	242	128.6 Å²	128.6	91%	0.913	66%	0.656	S	S	*	*	S	Bend	trans	161.8	-11.6	149.6	-93.2	172.5	-153.7	-161.7	6.1	115.1
37	F	44.6	Very low	52.9	Low	144 Å²	144	129.4 Å²	129.4	63%	0.632	66%	0.657	S	S	*	*	S	Bend	trans	-94.9	117.5	160.7	-76.2	-86.8	0	0	0	107.7	D39	F37-D39 PolarHBondContact O-N 3.1Å; F37-D39 VanDerWaalsContact O-N 3.13Å
38	E	44.4	Very low	55.2	Low	154 Å²	154	126.4 Å²	126.4	72%	0.72	64%	0.636	S	S	*	*			trans	-64	111	160.7	-70	-173.7	145.6	0	0	107.1	Y40	E38-Y40 HydrophobicContact CB-CD2 4.21Å; E38-Y40 PolarHBondContact O-N 3.36Å
39	D	45.2	Very low	58	Low	124 Å²	124	124 Å²	124	66%	0.663	61%	0.608	S	S	*	*			trans	-65.7	86.9	171.6	-87.9	-44.3	0	0	0	108.6	F37 V41	F37-D39 PolarHBondContact O-N 3.1Å; F37-D39 VanDerWaalsContact O-N 3.13Å; D39-V41 HydrophobicContact CB-CG2 4.13Å; D39-V41 WeakPolarHBondContact O-CG2 3.46Å; D39-V41 PolarHBondContact O-N 2.87Å
40	Y	50	Low	60.4	Low	160 Å²	160	119.1 Å²	119.1	63%	0.627	60%	0.597	S	S	*	*			trans	-68.4	77.3	167.2	-102.4	-91.4	0	0	0	108.8	E38 G42 K73	E38-Y40 HydrophobicContact CB-CD2 4.21Å; E38-Y40 PolarHBondContact O-N 3.36Å; Y40-G42 PolarHBondContact O-N 2.83Å; Y40-K73 PolarHBondContact O-NZ 3.14Å; Y40-K73 VanDerWaalsContact O-NZ 3.17Å
41	V	53.7	Low	62.8	Low	130 Å²	130	118.1 Å²	118.1	79%	0.788	59%	0.586	S	S	*	*			trans	-69.2	38.9	164.5	-162.5	0	0	0	0	110.1	D39	D39-V41 HydrophobicContact CB-CG2 4.13Å; D39-V41 WeakPolarHBondContact O-CG2 3.46Å; D39-V41 PolarHBondContact O-N 2.87Å
42	G	62.2	Low	65.5	Low	38 Å²	38	112.7 Å²	112.7	39%	0.392	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-94.5	144.2	172.5	0	0	0	0	0	110.3	Y40 W44	Y40-G42 PolarHBondContact O-N 2.83Å; G42-W44 PolarHBondContact O-N 3.07Å
43	S	73	Confident	68.1	Low	112 Å²	112	110 Å²	110	78%	0.783	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-52.2	133.1	179.6	-57.5	0	0	0	0	112.5	T45	S43-T45 PolarHBondContact O-N 2.92Å
44	W	85.7	Confident	70.5	Confident	57 Å²	57	104.3 Å²	104.3	22%	0.216	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-53	119.9	175	-76.8	91.1	0	0	0	112	G42 E48 L52 K73 Q77 R81	G42-W44 PolarHBondContact O-N 3.07Å; W44-E48 HydrophobicContact CE3-CB 3.83Å; W44-E48 HydrophobicContact CZ3-CB 4.06Å; W44-L52 HydrophobicContact CH2-CD2 3.97Å; W44-L52 HydrophobicContact CZ3-CD2 3.86Å; W44-K73 HydrophobicContact CH2-CG 4.34Å; W44-Q77 HydrophobicContact CZ2-CB 4.09Å; W44-Q77 WeakPolarHBondContact CZ2-O 3.38Å; W44-R81 HydrophobicContact CD2-CB 4.02Å; W44-R81 HydrophobicContact CD2-CG 3.56Å; W44-R81 HydrophobicContact CE3-CB 4.36Å; W44-R81 HydrophobicContact CE3-CG 3.74Å; W44-R81 HydrophobicContact CG-CG 4.03Å; W44-R81 HydrophobicContact CH2-CB 3.96Å; W44-R81 HydrophobicContact CH2-CG 4.2Å; W44-R81 HydrophobicContact CZ2-CB 3.54Å; W44-R81 HydrophobicContact CZ2-CG 4.02Å; W44-R81 HydrophobicContact CZ3-CB 4.34Å; W44-R81 HydrophobicContact CZ3-CG 4.06Å
45	T	88.5	Confident	72.8	Confident	68 Å²	68	98 Å²	98	42%	0.417	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-85.9	153.2	174.3	64.9	0	0	0	0	111.5	S43 L47 E48 D49	S43-T45 PolarHBondContact O-N 2.92Å; T45-L47 PolarHBondContact O-N 3.19Å; T45-L47 VanDerWaalsContact O-N 3.1Å; T45-E48 WeakPolarHBondContact CB-OE2 3.31Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.44Å; T45-E48 PolarHBondContact N-OE2 3.07Å; T45-E48 PolarHBondContact O-N 3.28Å; T45-E48 WeakPolarHBondContact OG1-CG 3.4Å; T45-E48 PolarHBondContact OG1-N 3.5Å; T45-E48 PolarHBondContact OG1-OE2 3.33Å; T45-D49 PolarHBondContact O-N 3.05Å
46	N	84.3	Confident	75.4	Confident	133 Å²	133	89.9 Å²	89.9	71%	0.711	45%	0.453	S	S	*	.	H	α-helix	trans	-56.9	-27.3	173.7	-61.8	-21.1	0	0	0	112.5	C50	N46-C50 WeakPolarHBondContact O-CB 3.32Å; N46-C50 PolarHBondContact O-N 3.22Å; N46-C50 PolarHBondContact O-SG 3.12Å
47	L	88.4	Confident	77.6	Confident	106 Å²	106	83 Å²	83	56%	0.555	44%	0.443	S	S	*	.	H	α-helix	trans	-73	-40.5	176.7	-175.7	63.7	0	0	0	112.1	T45 R51	T45-L47 PolarHBondContact O-N 3.19Å; T45-L47 VanDerWaalsContact O-N 3.1Å; L47-R51 VanDerWaalsContact O-CG 3.3Å; L47-R51 WeakPolarHBondContact O-CG 3.47Å; L47-R51 PolarHBondContact O-N 2.89Å
48	E	91	Very high	79.7	Confident	34 Å²	34	83.7 Å²	83.7	16%	0.159	44%	0.441	C	S	.	.	H	α-helix	trans	-65.1	-39.5	172.3	-71.7	159.5	119.1	0	0	111.2	W44 T45 R51 L52 K73	W44-E48 HydrophobicContact CE3-CB 3.83Å; W44-E48 HydrophobicContact CZ3-CB 4.06Å; T45-E48 WeakPolarHBondContact CB-OE2 3.31Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.44Å; T45-E48 PolarHBondContact N-OE2 3.07Å; T45-E48 PolarHBondContact O-N 3.28Å; T45-E48 WeakPolarHBondContact OG1-CG 3.4Å; T45-E48 PolarHBondContact OG1-N 3.5Å; T45-E48 PolarHBondContact OG1-OE2 3.33Å; E48-R51 PolarHBondContact O-N 3.44Å; E48-L52 VanDerWaalsContact O-CB 3.29Å; E48-L52 WeakPolarHBondContact O-CB 3.5Å; E48-L52 PolarHBondContact O-N 3.08Å; E48-K73 WeakPolarHBondContact OE1-CE 3.48Å; E48-K73 IonicContact OE1-NZ 3.6Å; E48-K73 PolarHBondContact OE1-NZ 3.46Å
49	D	91.8	Very high	81.7	Confident	11 Å²	11	77.8 Å²	77.8	6%	0.059	41%	0.414	C	S	.	.	H	α-helix	trans	-62.8	-45	175.2	-73.9	-31.9	0	0	0	112.2	T45 R51 L52 L53 R81 L86	T45-D49 PolarHBondContact O-N 3.05Å; D49-R51 VanDerWaalsContact C-N 3.34Å; D49-R51 PolarHBondContact O-N 2.93Å; D49-L52 WeakPolarHBondContact O-CB 3.43Å; D49-L52 PolarHBondContact O-N 3.09Å; D49-L53 WeakPolarHBondContact O-CG 3.39Å; D49-L53 PolarHBondContact O-N 3.11Å; D49-R81 WeakPolarHBondContact OD1-CG 3.42Å; D49-R81 IonicContact OD1-CZ 3.44Å; D49-R81 IonicContact OD1-NE 3.39Å; D49-R81 PolarHBondContact OD1-NE 3.14Å; D49-R81 IonicContact OD1-NH2 2.68Å; D49-R81 IonicContact OD2-CZ 2.78Å; D49-R81 IonicContact OD2-NE 3.49Å; D49-R81 PolarHBondContact OD2-NE 3.37Å; D49-R81 IonicContact OD2-NH2 3.62Å; D49-R81 PolarHBondContact OD2-NH2 3.34Å; D49-L86 HydrophobicContact CB-CD1 4.04Å; D49-L86 HydrophobicContact CB-CD2 3.82Å
50	C	88.7	Confident	83.7	Confident	83 Å²	83	73.2 Å²	73.2	56%	0.561	40%	0.396	S	S	*	.	H	α-helix	trans	-60.9	-40.8	174.1	-75.3	0	0	0	0	112.4	N46 L53 D54	N46-C50 WeakPolarHBondContact O-CB 3.32Å; N46-C50 PolarHBondContact O-N 3.22Å; N46-C50 PolarHBondContact O-SG 3.12Å; C50-L53 PolarHBondContact O-N 3.11Å; C50-D54 PolarHBondContact O-N 2.8Å
51	R	91.6	Very high	85.5	Confident	139 Å²	139	69.2 Å²	69.2	53%	0.525	38%	0.383	S	S	.	.	H	α-helix	trans	-66.6	-37.5	174.6	-70.3	171.4	179.7	-170.5	0.9	111.9	L47 E48 D49 L53 D54 H55 L71	L47-R51 VanDerWaalsContact O-CG 3.3Å; L47-R51 WeakPolarHBondContact O-CG 3.47Å; L47-R51 PolarHBondContact O-N 2.89Å; E48-R51 PolarHBondContact O-N 3.44Å; D49-R51 VanDerWaalsContact C-N 3.34Å; D49-R51 PolarHBondContact O-N 2.93Å; R51-L53 VanDerWaalsContact C-N 3.35Å; R51-D54 PolarHBondContact O-N 3.14Å; R51-H55 WeakPolarHBondContact O-CB 3.34Å; R51-H55 VanDerWaalsContact O-CG 3.29Å; R51-H55 PolarHBondContact O-N 2.94Å; R51-L71 HydrophobicContact CB-CD2 3.5Å
52	L	92.3	Very high	87	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-64.2	-39.3	174.9	176.6	56.2	0	0	0	111.2	W44 E48 D49 H55 V56 W64 I67 L71 C78 R81 L86	W44-L52 HydrophobicContact CH2-CD2 3.97Å; W44-L52 HydrophobicContact CZ3-CD2 3.86Å; E48-L52 VanDerWaalsContact O-CB 3.29Å; E48-L52 WeakPolarHBondContact O-CB 3.5Å; E48-L52 PolarHBondContact O-N 3.08Å; D49-L52 WeakPolarHBondContact O-CB 3.43Å; D49-L52 PolarHBondContact O-N 3.09Å; L52-H55 PolarHBondContact O-N 2.76Å; L52-V56 HydrophobicContact CD1-CG2 4.02Å; L52-V56 WeakPolarHBondContact O-CB 3.16Å; L52-V56 VanDerWaalsContact O-CG2 3.27Å; L52-V56 WeakPolarHBondContact O-CG2 3.48Å; L52-V56 PolarHBondContact O-N 2.94Å; L52-W64 HydrophobicContact CD1-CZ3 4.26Å; L52-I67 HydrophobicContact CD1-CG2 3.56Å; L52-L71 HydrophobicContact CB-CD1 3.92Å; L52-L71 HydrophobicContact CD1-CD1 3.7Å; L52-L71 HydrophobicContact CG-CD1 4.34Å; L52-C78 HydrophobicContact CD1-CB 4.04Å; L52-R81 HydrophobicContact CD2-CB 3.94Å; L52-R81 HydrophobicContact CD2-CG 3.89Å; L52-L86 HydrophobicContact CB-CD1 4.4Å; L52-L86 HydrophobicContact CD2-CD1 3.7Å; L52-L86 HydrophobicContact CG-CD1 4.07Å
53	L	91.7	Very high	88.2	Confident	56 Å²	56	74.1 Å²	74.1	29%	0.293	39%	0.386	S	S	.	.	H	α-helix	trans	-68.1	-41.5	173.9	-69.8	176.3	0	0	0	113.4	D49 C50 R51 H55 S57 Y82 L86 M90	D49-L53 WeakPolarHBondContact O-CG 3.39Å; D49-L53 PolarHBondContact O-N 3.11Å; C50-L53 PolarHBondContact O-N 3.11Å; R51-L53 VanDerWaalsContact C-N 3.35Å; L53-H55 VanDerWaalsContact C-N 3.32Å; L53-H55 PolarHBondContact O-N 3.07Å; L53-S57 WeakPolarHBondContact O-CB 3.47Å; L53-S57 PolarHBondContact O-N 2.81Å; L53-S57 PolarHBondContact O-OG 3.37Å; L53-Y82 HydrophobicContact CD2-CD2 4.22Å; L53-Y82 HydrophobicContact CD2-CE2 3.92Å; L53-L86 HydrophobicContact CD2-CB 4.17Å; L53-L86 HydrophobicContact CD2-CD1 4.29Å; L53-L86 HydrophobicContact CG-CD1 4.21Å; L53-M90 HydrophobicContact CD2-SD 3.6Å
54	D	91	Very high	89.1	Confident	61 Å²	61	71 Å²	71	33%	0.326	36%	0.357	S	S	.	.	H	α-helix	trans	-57.6	-46.9	170.6	170.5	83.8	0	0	0	110.9	C50 R51 S57 R58	C50-D54 PolarHBondContact O-N 2.8Å; R51-D54 PolarHBondContact O-N 3.14Å; D54-S57 PolarHBondContact O-N 3.45Å; D54-S57 PolarHBondContact O-OG 2.8Å; D54-R58 VanDerWaalsContact CG-CD 3.46Å; D54-R58 WeakPolarHBondContact O-CB 3.31Å; D54-R58 WeakPolarHBondContact O-CD 3.42Å; D54-R58 VanDerWaalsContact O-CG 3.27Å; D54-R58 WeakPolarHBondContact O-CG 3.3Å; D54-R58 PolarHBondContact O-N 2.97Å; D54-R58 WeakPolarHBondContact OD1-CD 3.28Å; D54-R58 IonicContact OD1-NH1 2.76Å; D54-R58 PolarHBondContact OD1-NH1 2.96Å; D54-R58 WeakPolarHBondContact OD2-CD 3.46Å; D54-R58 IonicContact OD2-CZ 2.8Å; D54-R58 IonicContact OD2-NE 3.96Å; D54-R58 IonicContact OD2-NH1 3.75Å; D54-R58 PolarHBondContact OD2-NH1 3.05Å
55	H	91.3	Very high	89.3	Confident	26 Å²	26	73.6 Å²	73.6	12%	0.12	38%	0.375	C	S	.	.	H	α-helix	trans	-72	-36.6	-176.4	-69.6	4.8	0	0	0	113	R51 L52 L53 L59 I67 R70	R51-H55 WeakPolarHBondContact O-CB 3.34Å; R51-H55 VanDerWaalsContact O-CG 3.29Å; R51-H55 PolarHBondContact O-N 2.94Å; L52-H55 PolarHBondContact O-N 2.76Å; L53-H55 VanDerWaalsContact C-N 3.32Å; L53-H55 PolarHBondContact O-N 3.07Å; H55-L59 WeakPolarHBondContact O-CB 3.31Å; H55-L59 WeakPolarHBondContact O-CG 3.34Å; H55-L59 PolarHBondContact O-N 2.94Å; H55-I67 HydrophobicContact CB-CG1 4.29Å; H55-I67 HydrophobicContact CB-CG2 4.19Å; H55-R70 VanDerWaalsContact CD2-CB 3.42Å; H55-R70 WeakPolarHBondContact CD2-CB 3.46Å; H55-R70 VanDerWaalsContact NE2-CB 3.31Å; H55-R70 WeakPolarHBondContact NE2-CB 3.41Å
56	V	91.9	Very high	89.3	Confident	10 Å²	10	73.7 Å²	73.7	6%	0.061	37%	0.372	C	S	.	.	H	α-helix	trans	-67.4	-43.4	173	172	0	0	0	0	111.1	L52 R58 G60 E61 W64 I67 Y82	L52-V56 HydrophobicContact CD1-CG2 4.02Å; L52-V56 WeakPolarHBondContact O-CB 3.16Å; L52-V56 VanDerWaalsContact O-CG2 3.27Å; L52-V56 WeakPolarHBondContact O-CG2 3.48Å; L52-V56 PolarHBondContact O-N 2.94Å; V56-R58 VanDerWaalsContact C-N 3.32Å; V56-R58 PolarHBondContact O-N 2.9Å; V56-G60 VanDerWaalsContact O-CA 3.3Å; V56-G60 WeakPolarHBondContact O-CA 3.45Å; V56-G60 PolarHBondContact O-N 3.23Å; V56-E61 HydrophobicContact CG1-CG 3.94Å; V56-W64 HydrophobicContact CG2-CH2 3.79Å; V56-W64 HydrophobicContact CG2-CZ3 3.7Å; V56-I67 HydrophobicContact CG2-CD1 3.94Å; V56-Y82 HydrophobicContact CB-CD2 4.46Å; V56-Y82 HydrophobicContact CB-CE2 4.29Å; V56-Y82 HydrophobicContact CG1-CD2 4.32Å; V56-Y82 HydrophobicContact CG1-CE1 4.33Å; V56-Y82 HydrophobicContact CG1-CE2 3.82Å; V56-Y82 HydrophobicContact CG2-CD2 4.02Å; V56-Y82 HydrophobicContact CG2-CE2 4.33Å; V56-Y82 HydrophobicContact CG2-CG 4.31Å
57	S	88.6	Confident	89.6	Confident	98 Å²	98	67.3 Å²	67.3	69%	0.685	34%	0.339	S	S	*	.	H	α-helix	trans	-65.4	-33.2	178.4	60.2	0	0	0	0	113.1	L53 D54	L53-S57 WeakPolarHBondContact O-CB 3.47Å; L53-S57 PolarHBondContact O-N 2.81Å; L53-S57 PolarHBondContact O-OG 3.37Å; D54-S57 PolarHBondContact O-N 3.45Å; D54-S57 PolarHBondContact O-OG 2.8Å
58	R	87.9	Confident	89.7	Confident	158 Å²	158	62.4 Å²	62.4	60%	0.596	31%	0.314	S	S	*	.	H	α-helix	trans	-86.6	-24.1	179	-69.1	166.7	65.4	-167.6	8.8	115.4	D54 V56	D54-R58 VanDerWaalsContact CG-CD 3.46Å; D54-R58 WeakPolarHBondContact O-CB 3.31Å; D54-R58 WeakPolarHBondContact O-CD 3.42Å; D54-R58 VanDerWaalsContact O-CG 3.27Å; D54-R58 WeakPolarHBondContact O-CG 3.3Å; D54-R58 PolarHBondContact O-N 2.97Å; D54-R58 WeakPolarHBondContact OD1-CD 3.28Å; D54-R58 IonicContact OD1-NH1 2.76Å; D54-R58 PolarHBondContact OD1-NH1 2.96Å; D54-R58 WeakPolarHBondContact OD2-CD 3.46Å; D54-R58 IonicContact OD2-CZ 2.8Å; D54-R58 IonicContact OD2-NE 3.96Å; D54-R58 IonicContact OD2-NH1 3.75Å; D54-R58 PolarHBondContact OD2-NH1 3.05Å; V56-R58 VanDerWaalsContact C-N 3.32Å; V56-R58 PolarHBondContact O-N 2.9Å
59	L	87.8	Confident	89.6	Confident	29 Å²	29	66.8 Å²	66.8	15%	0.152	33%	0.332	C	S	.	.	H	α-helix	trans	-113	-21.3	-174.8	-62.9	177.1	0	0	0	114.3	H55 R63 L66 I67	H55-L59 WeakPolarHBondContact O-CB 3.31Å; H55-L59 WeakPolarHBondContact O-CG 3.34Å; H55-L59 PolarHBondContact O-N 2.94Å; L59-R63 HydrophobicContact CB-CB 4.18Å; L59-R63 HydrophobicContact CB-CG 4.4Å; L59-R63 WeakPolarHBondContact O-CD 3.42Å; L59-R63 WeakPolarHBondContact O-CG 3.43Å; L59-R63 PolarHBondContact O-NE 3.42Å; L59-L66 HydrophobicContact CD1-CB 4.36Å; L59-L66 HydrophobicContact CD1-CD2 3.9Å; L59-L66 HydrophobicContact CD1-CG 3.91Å; L59-L66 HydrophobicContact CD2-CD2 3.9Å; L59-I67 HydrophobicContact CB-CG1 4.42Å; L59-I67 HydrophobicContact CD1-CG1 3.76Å
60	G	86	Confident	89.4	Confident	29 Å²	29	72 Å²	72	30%	0.299	35%	0.351	S	S	.	.			trans	82.6	155.6	-170.1	0	0	0	0	0	113.4	V56 N62 R63	V56-G60 VanDerWaalsContact O-CA 3.3Å; V56-G60 WeakPolarHBondContact O-CA 3.45Å; V56-G60 PolarHBondContact O-N 3.23Å; G60-N62 PolarHBondContact O-N 3.22Å; G60-R63 PolarHBondContact O-N 3.36Å
61	E	87.8	Confident	89.4	Confident	76 Å²	76	69.1 Å²	69.1	36%	0.355	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	4.8	-179.5	-58.8	176.1	-152.8	0	0	115.1	V56 W64 Y82 R87	V56-E61 HydrophobicContact CG1-CG 3.94Å; E61-W64 HydrophobicContact CB-CZ2 4.09Å; E61-W64 WeakPolarHBondContact O-CZ2 3.46Å; E61-W64 PolarHBondContact O-NE1 3.5Å; E61-Y82 HydrophobicContact CG-CE1 3.97Å; E61-R87 IonicContact OE1-CZ 3.5Å; E61-R87 IonicContact OE1-NH1 3.81Å; E61-R87 IonicContact OE1-NH2 2.8Å; E61-R87 PolarHBondContact OE1-NH2 3.09Å; E61-R87 IonicContact OE2-CZ 3.12Å; E61-R87 IonicContact OE2-NH1 2.68Å; E61-R87 PolarHBondContact OE2-NH1 3Å; E61-R87 IonicContact OE2-NH2 2.8Å; E61-R87 PolarHBondContact OE2-NH2 3Å
62	N	85.5	Confident	89.2	Confident	133 Å²	133	64.5 Å²	64.5	71%	0.711	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	6.3	-178.2	63	5	0	0	0	113.7	G60	G60-N62 PolarHBondContact O-N 3.22Å
63	R	87.6	Confident	89	Confident	137 Å²	137	65.8 Å²	65.8	52%	0.517	33%	0.331	S	S	.	.			trans	-117.7	35.9	-176.3	-52.2	-159.4	-170.1	-131.2	-0.4	114.7	L59 G60 N65 L66 I67	L59-R63 HydrophobicContact CB-CB 4.18Å; L59-R63 HydrophobicContact CB-CG 4.4Å; L59-R63 WeakPolarHBondContact O-CD 3.42Å; L59-R63 WeakPolarHBondContact O-CG 3.43Å; L59-R63 PolarHBondContact O-NE 3.42Å; G60-R63 PolarHBondContact O-N 3.36Å; R63-N65 PolarHBondContact O-N 3.34Å; R63-N65 VanDerWaalsContact O-N 3.08Å; R63-L66 HydrophobicContact CB-CB 4.28Å; R63-L66 WeakPolarHBondContact O-CA 3.42Å; R63-L66 PolarHBondContact O-N 2.99Å; R63-I67 WeakPolarHBondContact O-CG1 3.4Å; R63-I67 PolarHBondContact O-N 3.48Å
64	W	91.8	Very high	88.9	Confident	48 Å²	48	65.5 Å²	65.5	18%	0.182	33%	0.334	C	S	.	.	H	α-helix	trans	-49	-38.9	-177.6	-59.4	117.6	0	0	0	114.6	L52 V56 E61 L66 I67 G68 A75 C78 Y82	L52-W64 HydrophobicContact CD1-CZ3 4.26Å; V56-W64 HydrophobicContact CG2-CH2 3.79Å; V56-W64 HydrophobicContact CG2-CZ3 3.7Å; E61-W64 HydrophobicContact CB-CZ2 4.09Å; E61-W64 WeakPolarHBondContact O-CZ2 3.46Å; E61-W64 PolarHBondContact O-NE1 3.5Å; W64-L66 VanDerWaalsContact C-N 3.3Å; W64-L66 PolarHBondContact O-N 2.92Å; W64-I67 HydrophobicContact CD2-CD1 4.45Å; W64-I67 HydrophobicContact CE3-CD1 3.83Å; W64-I67 HydrophobicContact CE3-CG2 4.42Å; W64-I67 HydrophobicContact CZ3-CD1 3.96Å; W64-I67 PolarHBondContact O-N 3.27Å; W64-G68 PolarHBondContact O-N 2.93Å; W64-A75 HydrophobicContact CB-CB 4.01Å; W64-C78 HydrophobicContact CE3-CB 4.15Å; W64-Y82 AromaticContact CH2-CD1 3.55Å; W64-Y82 HydrophobicContact CH2-CD1 3.55Å; W64-Y82 HydrophobicContact CH2-CE1 4.39Å; W64-Y82 AromaticContact CH2-CG 3.71Å; W64-Y82 HydrophobicContact CH2-CG 3.71Å; W64-Y82 HydrophobicContact CZ2-CD1 4.13Å; W64-Y82 HydrophobicContact CZ3-CG 4.38Å
65	N	89.5	Confident	88.8	Confident	110 Å²	110	63.8 Å²	63.8	59%	0.588	33%	0.328	S	S	*	.	H	α-helix	trans	-63.9	-30	176.3	-67.2	-19.7	0	0	0	113.9	R63 K69 A75	R63-N65 PolarHBondContact O-N 3.34Å; R63-N65 VanDerWaalsContact O-N 3.08Å; N65-K69 VanDerWaalsContact O-CG 3.29Å; N65-K69 WeakPolarHBondContact O-CG 3.37Å; N65-A75 WeakPolarHBondContact OD1-CB 3.46Å
66	L	88.7	Confident	88.7	Confident	70 Å²	70	69.3 Å²	69.3	37%	0.366	35%	0.351	S	S	.	.	H	α-helix	trans	-87.3	-32.9	175.9	-175.6	61.3	0	0	0	111.7	L59 R63 W64 R70	L59-L66 HydrophobicContact CD1-CB 4.36Å; L59-L66 HydrophobicContact CD1-CD2 3.9Å; L59-L66 HydrophobicContact CD1-CG 3.91Å; L59-L66 HydrophobicContact CD2-CD2 3.9Å; R63-L66 HydrophobicContact CB-CB 4.28Å; R63-L66 WeakPolarHBondContact O-CA 3.42Å; R63-L66 PolarHBondContact O-N 2.99Å; W64-L66 VanDerWaalsContact C-N 3.3Å; W64-L66 PolarHBondContact O-N 2.92Å; L66-R70 WeakPolarHBondContact O-CG 3.48Å; L66-R70 PolarHBondContact O-N 2.89Å
67	I	90.4	Very high	88.6	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-65.2	-50.6	175.3	-67.1	164.1	0	0	0	110	L52 H55 V56 L59 R63 W64 K69 R70 L71 C78	L52-I67 HydrophobicContact CD1-CG2 3.56Å; H55-I67 HydrophobicContact CB-CG1 4.29Å; H55-I67 HydrophobicContact CB-CG2 4.19Å; V56-I67 HydrophobicContact CG2-CD1 3.94Å; L59-I67 HydrophobicContact CB-CG1 4.42Å; L59-I67 HydrophobicContact CD1-CG1 3.76Å; R63-I67 WeakPolarHBondContact O-CG1 3.4Å; R63-I67 PolarHBondContact O-N 3.48Å; W64-I67 HydrophobicContact CD2-CD1 4.45Å; W64-I67 HydrophobicContact CE3-CD1 3.83Å; W64-I67 HydrophobicContact CE3-CG2 4.42Å; W64-I67 HydrophobicContact CZ3-CD1 3.96Å; W64-I67 PolarHBondContact O-N 3.27Å; I67-K69 PolarHBondContact O-N 3.45Å; I67-R70 PolarHBondContact O-N 3.4Å; I67-R70 VanDerWaalsContact O-N 3.15Å; I67-L71 HydrophobicContact CG2-CD1 3.72Å; I67-L71 PolarHBondContact O-N 2.91Å; I67-L71 VanDerWaalsContact O-N 3.1Å; I67-C78 HydrophobicContact CG2-CB 4.22Å
68	G	90.2	Very high	88.7	Confident	3 Å²	3	66.9 Å²	66.9	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-60.2	-45.4	177.7	0	0	0	0	0	113.2	W64 R70 L71 G72 K73	W64-G68 PolarHBondContact O-N 2.93Å; G68-R70 PolarHBondContact O-N 3.09Å; G68-R70 VanDerWaalsContact O-N 3.16Å; G68-L71 PolarHBondContact O-N 3.28Å; G68-G72 PolarHBondContact O-N 3.48Å; G68-K73 CarbonylContact C-O 3.58Å; G68-K73 WeakPolarHBondContact CA-O 3.37Å; G68-K73 PolarHBondContact O-N 3.39Å; G68-K73 VanDerWaalsContact O-O 3.13Å
69	K	89.5	Confident	88.9	Confident	125 Å²	125	60.3 Å²	60.3	54%	0.543	31%	0.307	S	S	.	.	H	α-helix	trans	-57.6	-27.9	174.7	-81.5	-174	176.8	-161.3	0	114.3	N65 I67 T424	N65-K69 VanDerWaalsContact O-CG 3.29Å; N65-K69 WeakPolarHBondContact O-CG 3.37Å; I67-K69 PolarHBondContact O-N 3.45Å; K69-T424 PolarHBondContact NZ-OG1 3.02Å
70	R	88.6	Confident	89	Confident	120 Å²	120	61.9 Å²	61.9	45%	0.453	31%	0.314	S	S	.	.	H	α-helix	trans	-87.6	-23.1	175.2	-70.2	178	174	-174.5	-1.7	113.8	H55 L66 I67 G68	H55-R70 VanDerWaalsContact CD2-CB 3.42Å; H55-R70 WeakPolarHBondContact CD2-CB 3.46Å; H55-R70 VanDerWaalsContact NE2-CB 3.31Å; H55-R70 WeakPolarHBondContact NE2-CB 3.41Å; L66-R70 WeakPolarHBondContact O-CG 3.48Å; L66-R70 PolarHBondContact O-N 2.89Å; I67-R70 PolarHBondContact O-N 3.4Å; I67-R70 VanDerWaalsContact O-N 3.15Å; G68-R70 PolarHBondContact O-N 3.09Å; G68-R70 VanDerWaalsContact O-N 3.16Å
71	L	87.6	Confident	89.3	Confident	24 Å²	24	62.5 Å²	62.5	13%	0.126	31%	0.307	C	S	.	.	H	α-helix	trans	-91	-15.4	178.7	-73.3	165.9	0	0	0	113.7	R51 L52 I67 G68 K73 C78	R51-L71 HydrophobicContact CB-CD2 3.5Å; L52-L71 HydrophobicContact CB-CD1 3.92Å; L52-L71 HydrophobicContact CD1-CD1 3.7Å; L52-L71 HydrophobicContact CG-CD1 4.34Å; I67-L71 HydrophobicContact CG2-CD1 3.72Å; I67-L71 PolarHBondContact O-N 2.91Å; I67-L71 VanDerWaalsContact O-N 3.1Å; G68-L71 PolarHBondContact O-N 3.28Å; L71-K73 VanDerWaalsContact C-N 3.33Å; L71-K73 HydrophobicContact CB-CB 4.43Å; L71-K73 HydrophobicContact CB-CG 4.39Å; L71-C78 VanDerWaalsContact CD1-SG 3.59Å
72	G	88.3	Confident	89.4	Confident	41 Å²	41	59.6 Å²	59.6	42%	0.423	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	27.2	-170.1	0	0	0	0	0	113	G68	G68-G72 PolarHBondContact O-N 3.48Å
73	K	87.8	Confident	89.6	Confident	28 Å²	28	56.9 Å²	56.9	12%	0.122	28%	0.278	C	S	.	.	S	Bend	trans	-130	157.3	-178.8	-60.9	-72.4	175.6	157	0	110.1	Y40 W44 E48 G68 L71	Y40-K73 PolarHBondContact O-NZ 3.14Å; Y40-K73 VanDerWaalsContact O-NZ 3.17Å; W44-K73 HydrophobicContact CH2-CG 4.34Å; E48-K73 WeakPolarHBondContact OE1-CE 3.48Å; E48-K73 IonicContact OE1-NZ 3.6Å; E48-K73 PolarHBondContact OE1-NZ 3.46Å; G68-K73 CarbonylContact C-O 3.58Å; G68-K73 WeakPolarHBondContact CA-O 3.37Å; G68-K73 PolarHBondContact O-N 3.39Å; G68-K73 VanDerWaalsContact O-O 3.13Å; L71-K73 VanDerWaalsContact C-N 3.33Å; L71-K73 HydrophobicContact CB-CB 4.43Å; L71-K73 HydrophobicContact CB-CG 4.39Å
74	S	89.2	Confident	89.4	Confident	50 Å²	50	56.4 Å²	56.4	35%	0.35	28%	0.28	S	S	.	.			trans	-65.1	147.7	176.9	70.4	0	0	0	0	111.6	F76 Q77 C78	S74-F76 PolarHBondContact O-N 3.14Å; S74-Q77 PolarHBondContact O-N 2.8Å; S74-Q77 WeakPolarHBondContact OG-CB 3.46Å; S74-Q77 WeakPolarHBondContact OG-CG 3.16Å; S74-Q77 PolarHBondContact OG-N 3.45Å; S74-Q77 PolarHBondContact OG-OE1 3.42Å; S74-C78 PolarHBondContact O-N 3.31Å; S74-C78 PolarHBondContact O-SG 2.91Å; S74-C78 VanDerWaalsContact O-SG 3.42Å
75	A	89.5	Confident	88.9	Confident	24 Å²	24	58.2 Å²	58.2	20%	0.198	29%	0.29	C	S	.	.	H	α-helix	trans	-55.5	-37.1	176.8	0	0	0	0	0	112.4	W64 N65 S79	W64-A75 HydrophobicContact CB-CB 4.01Å; N65-A75 WeakPolarHBondContact OD1-CB 3.46Å; A75-S79 PolarHBondContact O-N 3.49Å; A75-S79 PolarHBondContact O-OG 3.31Å
76	F	88.8	Confident	88.7	Confident	142 Å²	142	53.5 Å²	53.5	62%	0.623	27%	0.265	S	S	*	.	H	α-helix	trans	-62.3	-55.1	175.7	-178.5	-106.1	0	0	0	111.5	S74 C78 S79 E80	S74-F76 PolarHBondContact O-N 3.14Å; F76-C78 VanDerWaalsContact C-N 3.3Å; F76-C78 PolarHBondContact O-N 3.33Å; F76-S79 PolarHBondContact O-N 3.19Å; F76-S79 VanDerWaalsContact O-N 3.08Å; F76-S79 PolarHBondContact O-OG 3.3Å; F76-E80 HydrophobicContact CD1-CG 4.25Å; F76-E80 HydrophobicContact CD2-CG 4.47Å; F76-E80 HydrophobicContact CE1-CG 3.81Å; F76-E80 HydrophobicContact CE2-CG 4.06Å; F76-E80 HydrophobicContact CZ-CG 3.71Å; F76-E80 WeakPolarHBondContact O-CB 3.49Å; F76-E80 PolarHBondContact O-N 3.19Å
77	Q	89.9	Confident	88.3	Confident	57 Å²	57	53.8 Å²	53.8	27%	0.266	26%	0.261	S	S	.	.	H	α-helix	trans	-55.2	-43	177.5	-74.3	159.9	-31.7	0	0	112.2	W44 S74 E80 R81	W44-Q77 HydrophobicContact CZ2-CB 4.09Å; W44-Q77 WeakPolarHBondContact CZ2-O 3.38Å; S74-Q77 PolarHBondContact O-N 2.8Å; S74-Q77 WeakPolarHBondContact OG-CB 3.46Å; S74-Q77 WeakPolarHBondContact OG-CG 3.16Å; S74-Q77 PolarHBondContact OG-N 3.45Å; S74-Q77 PolarHBondContact OG-OE1 3.42Å; Q77-E80 PolarHBondContact O-N 3.14Å; Q77-R81 WeakPolarHBondContact O-CB 3.4Å; Q77-R81 PolarHBondContact O-N 3.1Å
78	C	90.9	Very high	87.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-43.4	176.8	-65.7	0	0	0	0	112.5	L52 W64 I67 L71 S74 F76 Y82	L52-C78 HydrophobicContact CD1-CB 4.04Å; W64-C78 HydrophobicContact CE3-CB 4.15Å; I67-C78 HydrophobicContact CG2-CB 4.22Å; L71-C78 VanDerWaalsContact CD1-SG 3.59Å; S74-C78 PolarHBondContact O-N 3.31Å; S74-C78 PolarHBondContact O-SG 2.91Å; S74-C78 VanDerWaalsContact O-SG 3.42Å; F76-C78 VanDerWaalsContact C-N 3.3Å; F76-C78 PolarHBondContact O-N 3.33Å; C78-Y82 WeakPolarHBondContact O-CB 3.31Å; C78-Y82 PolarHBondContact O-N 3.15Å
79	S	91.8	Very high	85.7	Confident	20 Å²	20	62.1 Å²	62.1	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-66.8	-43.6	177.8	71.9	0	0	0	0	111.9	A75 F76 Y82 L83	A75-S79 PolarHBondContact O-N 3.49Å; A75-S79 PolarHBondContact O-OG 3.31Å; F76-S79 PolarHBondContact O-N 3.19Å; F76-S79 VanDerWaalsContact O-N 3.08Å; F76-S79 PolarHBondContact O-OG 3.3Å; S79-Y82 PolarHBondContact O-N 3.43Å; S79-L83 VanDerWaalsContact O-CB 3.28Å; S79-L83 WeakPolarHBondContact O-CB 3.35Å; S79-L83 WeakPolarHBondContact O-CG 3.08Å; S79-L83 PolarHBondContact O-N 3.42Å
80	E	90.3	Very high	84.1	Confident	63 Å²	63	62 Å²	62	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-58.8	-49.7	174.6	-85.7	-85.9	96.8	0	0	111.9	F76 Q77 L83 K84	F76-E80 HydrophobicContact CD1-CG 4.25Å; F76-E80 HydrophobicContact CD2-CG 4.47Å; F76-E80 HydrophobicContact CE1-CG 3.81Å; F76-E80 HydrophobicContact CE2-CG 4.06Å; F76-E80 HydrophobicContact CZ-CG 3.71Å; F76-E80 WeakPolarHBondContact O-CB 3.49Å; F76-E80 PolarHBondContact O-N 3.19Å; Q77-E80 PolarHBondContact O-N 3.14Å; E80-L83 PolarHBondContact O-N 3.38Å; E80-K84 VanDerWaalsContact O-CB 3.26Å; E80-K84 WeakPolarHBondContact O-CB 3.39Å; E80-K84 PolarHBondContact O-N 2.86Å; E80-K84 WeakPolarHBondContact OE1-CD 3.4Å; E80-K84 WeakPolarHBondContact OE1-CE 3.09Å; E80-K84 IonicContact OE1-NZ 2.81Å; E80-K84 PolarHBondContact OE1-NZ 3.4Å; E80-K84 IonicContact OE2-NZ 2.68Å; E80-K84 PolarHBondContact OE2-NZ 2.82Å
81	R	90.7	Very high	82.6	Confident	42 Å²	42	62 Å²	62	16%	0.158	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-47.6	179.1	-176.6	65.2	173	-172.2	-7.7	111.2	W44 D49 L52 Q77 H85 L86	W44-R81 HydrophobicContact CD2-CB 4.02Å; W44-R81 HydrophobicContact CD2-CG 3.56Å; W44-R81 HydrophobicContact CE3-CB 4.36Å; W44-R81 HydrophobicContact CE3-CG 3.74Å; W44-R81 HydrophobicContact CG-CG 4.03Å; W44-R81 HydrophobicContact CH2-CB 3.96Å; W44-R81 HydrophobicContact CH2-CG 4.2Å; W44-R81 HydrophobicContact CZ2-CB 3.54Å; W44-R81 HydrophobicContact CZ2-CG 4.02Å; W44-R81 HydrophobicContact CZ3-CB 4.34Å; W44-R81 HydrophobicContact CZ3-CG 4.06Å; D49-R81 WeakPolarHBondContact OD1-CG 3.42Å; D49-R81 IonicContact OD1-CZ 3.44Å; D49-R81 IonicContact OD1-NE 3.39Å; D49-R81 PolarHBondContact OD1-NE 3.14Å; D49-R81 IonicContact OD1-NH2 2.68Å; D49-R81 IonicContact OD2-CZ 2.78Å; D49-R81 IonicContact OD2-NE 3.49Å; D49-R81 PolarHBondContact OD2-NE 3.37Å; D49-R81 IonicContact OD2-NH2 3.62Å; D49-R81 PolarHBondContact OD2-NH2 3.34Å; L52-R81 HydrophobicContact CD2-CB 3.94Å; L52-R81 HydrophobicContact CD2-CG 3.89Å; Q77-R81 WeakPolarHBondContact O-CB 3.4Å; Q77-R81 PolarHBondContact O-N 3.1Å; R81-H85 PolarHBondContact NH1-CD2 2.99Å; R81-H85 WeakPolarHBondContact O-CB 3.37Å; R81-H85 PolarHBondContact O-N 2.92Å; R81-L86 HydrophobicContact CG-CD1 4.31Å; R81-L86 PolarHBondContact O-N 3.4Å
82	Y	91.6	Very high	80.3	Confident	14 Å²	14	62.8 Å²	62.8	6%	0.055	33%	0.327	C	S	.	.	I	π-helix	trans	-60.5	-52	178.7	-178.9	-100.9	0	0	0	111.6	L53 V56 E61 W64 C78 S79 L86 R87 M90	L53-Y82 HydrophobicContact CD2-CD2 4.22Å; L53-Y82 HydrophobicContact CD2-CE2 3.92Å; V56-Y82 HydrophobicContact CB-CD2 4.46Å; V56-Y82 HydrophobicContact CB-CE2 4.29Å; V56-Y82 HydrophobicContact CG1-CD2 4.32Å; V56-Y82 HydrophobicContact CG1-CE1 4.33Å; V56-Y82 HydrophobicContact CG1-CE2 3.82Å; V56-Y82 HydrophobicContact CG2-CD2 4.02Å; V56-Y82 HydrophobicContact CG2-CE2 4.33Å; V56-Y82 HydrophobicContact CG2-CG 4.31Å; E61-Y82 HydrophobicContact CG-CE1 3.97Å; W64-Y82 AromaticContact CH2-CD1 3.55Å; W64-Y82 HydrophobicContact CH2-CD1 3.55Å; W64-Y82 HydrophobicContact CH2-CE1 4.39Å; W64-Y82 AromaticContact CH2-CG 3.71Å; W64-Y82 HydrophobicContact CH2-CG 3.71Å; W64-Y82 HydrophobicContact CZ2-CD1 4.13Å; W64-Y82 HydrophobicContact CZ3-CG 4.38Å; C78-Y82 WeakPolarHBondContact O-CB 3.31Å; C78-Y82 PolarHBondContact O-N 3.15Å; S79-Y82 PolarHBondContact O-N 3.43Å; Y82-L86 HydrophobicContact CD2-CB 4.2Å; Y82-L86 PolarHBondContact O-N 3.48Å; Y82-R87 HydrophobicContact CD1-CB 4.32Å; Y82-R87 HydrophobicContact CE1-CB 3.95Å; Y82-R87 HydrophobicContact CE1-CG 4.19Å; Y82-R87 VanDerWaalsContact O-CB 3.24Å; Y82-R87 WeakPolarHBondContact O-CB 3.32Å; Y82-R87 PolarHBondContact O-N 3.47Å; Y82-M90 HydrophobicContact CE2-SD 4.16Å
83	L	88	Confident	78.2	Confident	77 Å²	77	66.7 Å²	66.7	40%	0.403	35%	0.348	S	S	.	.	I	π-helix	trans	-68.8	-39.7	-175.4	-66.9	173.4	0	0	0	113.2	S79 E80 R87 P88	S79-L83 VanDerWaalsContact O-CB 3.28Å; S79-L83 WeakPolarHBondContact O-CB 3.35Å; S79-L83 WeakPolarHBondContact O-CG 3.08Å; S79-L83 PolarHBondContact O-N 3.42Å; E80-L83 PolarHBondContact O-N 3.38Å; L83-R87 VanDerWaalsContact CD2-NH1 3.25Å; L83-P88 WeakPolarHBondContact O-CD 3.48Å
84	K	84.6	Confident	75.8	Confident	126 Å²	126	68.6 Å²	68.6	55%	0.548	37%	0.365	S	S	.	.	I	π-helix	trans	-90.2	-22.3	-175	-69.1	176.7	169.1	166.9	0	115.1	E80	E80-K84 VanDerWaalsContact O-CB 3.26Å; E80-K84 WeakPolarHBondContact O-CB 3.39Å; E80-K84 PolarHBondContact O-N 2.86Å; E80-K84 WeakPolarHBondContact OE1-CD 3.4Å; E80-K84 WeakPolarHBondContact OE1-CE 3.09Å; E80-K84 IonicContact OE1-NZ 2.81Å; E80-K84 PolarHBondContact OE1-NZ 3.4Å; E80-K84 IonicContact OE2-NZ 2.68Å; E80-K84 PolarHBondContact OE2-NZ 2.82Å
85	H	81.9	Confident	73.3	Confident	87 Å²	87	75.9 Å²	75.9	40%	0.403	39%	0.39	S	S	.	.	I	π-helix	trans	-124.9	-43.8	-171.8	-58.3	79.3	0	0	0	114	R81 Q89	R81-H85 PolarHBondContact NH1-CD2 2.99Å; R81-H85 WeakPolarHBondContact O-CB 3.37Å; R81-H85 PolarHBondContact O-N 2.92Å; H85-Q89 WeakPolarHBondContact O-CG 3.33Å; H85-Q89 PolarHBondContact O-NE2 3.31Å
86	L	84.9	Confident	70.8	Confident	11 Å²	11	79.3 Å²	79.3	6%	0.058	41%	0.409	C	S	.	.	I	π-helix	trans	-92.3	-48.1	-170.8	-56.6	176.5	0	0	0	113.4	D49 L52 L53 R81 Y82 P88 Q89 M90	D49-L86 HydrophobicContact CB-CD1 4.04Å; D49-L86 HydrophobicContact CB-CD2 3.82Å; L52-L86 HydrophobicContact CB-CD1 4.4Å; L52-L86 HydrophobicContact CD2-CD1 3.7Å; L52-L86 HydrophobicContact CG-CD1 4.07Å; L53-L86 HydrophobicContact CD2-CB 4.17Å; L53-L86 HydrophobicContact CD2-CD1 4.29Å; L53-L86 HydrophobicContact CG-CD1 4.21Å; R81-L86 HydrophobicContact CG-CD1 4.31Å; R81-L86 PolarHBondContact O-N 3.4Å; Y82-L86 HydrophobicContact CD2-CB 4.2Å; Y82-L86 PolarHBondContact O-N 3.48Å; L86-P88 VanDerWaalsContact C-N 3.31Å; L86-Q89 PolarHBondContact O-N 3.39Å; L86-M90 PolarHBondContact O-N 3.38Å; L86-M90 VanDerWaalsContact O-N 3.1Å
87	R	79.6	Confident	68	Low	75 Å²	75	78.7 Å²	78.7	28%	0.283	40%	0.403	S	S	.	.	H	α-helix	trans	-53.6	-40.4	173.3	-170.9	-175	-158.8	133	22.6	112.7	E61 Y82 L83 Q89 M90 L91	E61-R87 IonicContact OE1-CZ 3.5Å; E61-R87 IonicContact OE1-NH1 3.81Å; E61-R87 IonicContact OE1-NH2 2.8Å; E61-R87 PolarHBondContact OE1-NH2 3.09Å; E61-R87 IonicContact OE2-CZ 3.12Å; E61-R87 IonicContact OE2-NH1 2.68Å; E61-R87 PolarHBondContact OE2-NH1 3Å; E61-R87 IonicContact OE2-NH2 2.8Å; E61-R87 PolarHBondContact OE2-NH2 3Å; Y82-R87 HydrophobicContact CD1-CB 4.32Å; Y82-R87 HydrophobicContact CE1-CB 3.95Å; Y82-R87 HydrophobicContact CE1-CG 4.19Å; Y82-R87 VanDerWaalsContact O-CB 3.24Å; Y82-R87 WeakPolarHBondContact O-CB 3.32Å; Y82-R87 PolarHBondContact O-N 3.47Å; L83-R87 VanDerWaalsContact CD2-NH1 3.25Å; R87-Q89 VanDerWaalsContact C-N 3.29Å; R87-Q89 PolarHBondContact O-N 2.98Å; R87-M90 PolarHBondContact O-N 3.08Å; R87-L91 HydrophobicContact CG-CD1 4.27Å; R87-L91 PolarHBondContact O-N 3.3Å
88	P	65.3	Low	65.6	Low	30 Å²	30	82 Å²	82	20%	0.195	43%	0.427	C	S	.	.	H	α-helix	trans	-49.7	-43	168.1	-35	38.5	0	0	0	115.8	L83 L86 Y97	L83-P88 WeakPolarHBondContact O-CD 3.48Å; L86-P88 VanDerWaalsContact C-N 3.31Å; P88-Y97 WeakPolarHBondContact CA-OH 3.14Å; P88-Y97 WeakPolarHBondContact CB-OH 3.47Å; P88-Y97 HydrophobicContact CG-CE2 4.06Å; P88-Y97 WeakPolarHBondContact CG-OH 3.49Å
89	Q	60.5	Low	63	Low	149 Å²	149	87 Å²	87	70%	0.696	46%	0.458	S	S	*	.	H	α-helix	trans	-78.3	-34.9	-175.1	-62.4	175.7	40.3	0	0	111.1	H85 L86 R87 L91	H85-Q89 WeakPolarHBondContact O-CG 3.33Å; H85-Q89 PolarHBondContact O-NE2 3.31Å; L86-Q89 PolarHBondContact O-N 3.39Å; R87-Q89 VanDerWaalsContact C-N 3.29Å; R87-Q89 PolarHBondContact O-N 2.98Å; Q89-L91 VanDerWaalsContact C-N 3.3Å; Q89-L91 PolarHBondContact O-N 3.42Å
90	M	57.1	Low	60.2	Low	121 Å²	121	93.8 Å²	93.8	60%	0.596	49%	0.492	S	S	*	.	H	α-helix	trans	-66.5	-25.6	175.9	-64.8	-173.8	77.5	0	0	114.2	L53 Y82 L86 R87	L53-M90 HydrophobicContact CD2-SD 3.6Å; Y82-M90 HydrophobicContact CE2-SD 4.16Å; L86-M90 PolarHBondContact O-N 3.38Å; L86-M90 VanDerWaalsContact O-N 3.1Å; R87-M90 PolarHBondContact O-N 3.08Å
91	L	56.1	Low	57.8	Low	120 Å²	120	98.9 Å²	98.9	63%	0.628	52%	0.519	S	S	*	.	H	α-helix	trans	-90	-15.5	-176.2	-98.7	70.7	0	0	0	114.8	R87 Q89	R87-L91 HydrophobicContact CG-CD1 4.27Å; R87-L91 PolarHBondContact O-N 3.3Å; Q89-L91 VanDerWaalsContact C-N 3.3Å; Q89-L91 PolarHBondContact O-N 3.42Å
92	G	40.3	Very low	55.3	Low	41 Å²	41	105.5 Å²	105.5	42%	0.423	55%	0.552	S	S	.	*			trans	72.3	112.8	178.7	0	0	0	0	0	114.5	S94	G92-S94 PolarHBondContact O-N 3Å
93	S	42.6	Very low	52.5	Low	123 Å²	123	113 Å²	113	86%	0.86	59%	0.587	S	S	*	*	S	Bend	trans	51.1	-11.9	162.7	65.2	0	0	0	0	121.4	K95	S93-K95 PolarHBondContact O-N 3.2Å
94	S	37.3	Very low	49.8	Very low	69 Å²	69	114.4 Å²	114.4	48%	0.483	60%	0.604	S	S	.	*			trans	-78.8	88.9	-174	-169.8	0	0	0	0	113.3	G92 T96 Y97	G92-S94 PolarHBondContact O-N 3Å; S94-T96 PolarHBondContact O-N 2.93Å; S94-T96 PolarHBondContact OG-OG1 3.42Å; S94-Y97 VanDerWaalsContact O-CE1 3.27Å; S94-Y97 WeakPolarHBondContact O-CE1 3.36Å
95	K	37.7	Very low	47.2	Very low	202 Å²	202	115.3 Å²	115.3	88%	0.878	62%	0.619	S	S	*	*			trans	-73.3	77.3	177.9	-61	175.5	-177.8	177.5	0	112.4	S93	S93-K95 PolarHBondContact O-N 3.2Å
96	T	36.4	Very low	44.9	Very low	96 Å²	96	115.9 Å²	115.9	59%	0.589	63%	0.629	S	S	*	*			trans	-138.1	-14.1	-175.1	47	0	0	0	0	118.2	S94	S94-T96 PolarHBondContact O-N 2.93Å; S94-T96 PolarHBondContact OG-OG1 3.42Å
97	Y	29.9	Very low	42.3	Very low	130 Å²	130	120.8 Å²	120.8	51%	0.51	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.4	42.6	-168	50	-91.7	0	0	0	115.3	P88 S94	P88-Y97 WeakPolarHBondContact CA-OH 3.14Å; P88-Y97 WeakPolarHBondContact CB-OH 3.47Å; P88-Y97 HydrophobicContact CG-CE2 4.06Å; P88-Y97 WeakPolarHBondContact CG-OH 3.49Å; S94-Y97 VanDerWaalsContact O-CE1 3.27Å; S94-Y97 WeakPolarHBondContact O-CE1 3.36Å
98	T	39.2	Very low	40.3	Very low	126 Å²	126	124.4 Å²	124.4	77%	0.773	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.9	-6	177.8	55.2	0	0	0	0	115.8
99	T	37	Very low	38.6	Very low	104 Å²	104	126.6 Å²	126.6	64%	0.638	70%	0.702	S	S	*	*	S	Bend	trans	-138.3	15.2	-160.9	-23	0	0	0	0	115.4
100	L	33.4	Very low	37.2	Very low	163 Å²	163	126.9 Å²	126.9	85%	0.853	71%	0.707	S	S	*	*	S	Bend	trans	-129.9	36.8	-174.3	-70.3	176.7	0	0	0	114.6
101	I	40.6	Very low	36.1	Very low	171 Å²	171	128 Å²	128	88%	0.877	72%	0.715	S	S	*	*	S	Bend	trans	-123.3	-6	175.3	-60.9	-179.4	0	0	0	112.6
102	Q	37.6	Very low	35	Very low	181 Å²	181	130.7 Å²	130.7	85%	0.846	73%	0.729	S	S	*	*	S	Bend	trans	-114.5	11.7	-172.3	-70.6	-174.9	-48.4	0	0	115.9
103	H	32.1	Very low	34.8	Very low	172 Å²	172	132.2 Å²	132.2	80%	0.796	73%	0.734	S	S	*	*			trans	-133.2	156.9	177.9	-66.6	-77.5	0	0	0	112.6
104	S	31.6	Very low	34.3	Very low	106 Å²	106	133.3 Å²	133.3	74%	0.741	73%	0.73	S	S	*	*			trans	79.1	64.8	176.3	-144.3	0	0	0	0	116.8	V106	S104-V106 PolarHBondContact O-N 3.47Å; S104-V106 WeakPolarHBondContact OG-CG2 3.49Å
105	T	30	Very low	34.6	Very low	144 Å²	144	138.2 Å²	138.2	88%	0.883	75%	0.745	S	S	*	*			trans	-63.8	102.5	151.5	46.3	0	0	0	0	110.2
106	V	34.2	Very low	34.5	Very low	100 Å²	100	135.2 Å²	135.2	61%	0.606	74%	0.739	S	S	*	*			trans	-133.1	107.8	174	179.6	0	0	0	0	110.5	S104 Q108	S104-V106 PolarHBondContact O-N 3.47Å; S104-V106 WeakPolarHBondContact OG-CG2 3.49Å; V106-Q108 HydrophobicContact CG1-CG 4.05Å; V106-Q108 PolarHBondContact O-N 2.98Å
107	P	30.2	Very low	35.3	Very low	113 Å²	113	132.3 Å²	132.3	73%	0.734	72%	0.722	S	S	*	*			trans	-91.3	95.2	177.9	33.6	-30.7	0	0	0	111.2
108	Q	36.4	Very low	36.9	Very low	151 Å²	151	130.5 Å²	130.5	71%	0.706	73%	0.729	S	S	*	*			trans	-139.2	118.3	170.7	-65.1	-67.6	-77.2	0	0	105.8	V106	V106-Q108 HydrophobicContact CG1-CG 4.05Å; V106-Q108 PolarHBondContact O-N 2.98Å
109	A	29.9	Very low	38.6	Very low	76 Å²	76	126.7 Å²	126.7	63%	0.628	70%	0.7	S	S	*	*			cis	58	127.4	36	0	0	0	0	0	112.3
110	I	31.8	Very low	40.8	Very low	156 Å²	156	124.5 Å²	124.5	80%	0.8	69%	0.687	S	S	*	*			trans	67	89.9	-176	-44.6	167.7	0	0	0	113.9
111	L	34	Very low	42.9	Very low	144 Å²	144	124.7 Å²	124.7	75%	0.754	68%	0.681	S	S	*	*			trans	-172	69.7	131.3	-103	167.9	0	0	0	111.3	S113	L111-S113 WeakPolarHBondContact CD2-OG 3.29Å; L111-S113 PolarHBondContact O-N 3.48Å
112	N	33.6	Very low	44.7	Very low	176 Å²	176	121.9 Å²	121.9	94%	0.941	67%	0.668	S	S	*	*			trans	-75.5	104.5	151.4	-74.1	-17.5	0	0	0	106.5
113	S	34.9	Very low	46.9	Very low	73 Å²	73	114 Å²	114	51%	0.51	63%	0.631	S	S	.	*			trans	-149.3	116.3	171.3	67.1	0	0	0	0	111.5	L111 Q115	L111-S113 WeakPolarHBondContact CD2-OG 3.29Å; L111-S113 PolarHBondContact O-N 3.48Å; S113-Q115 PolarHBondContact O-N 3.34Å
114	D	33.1	Very low	49.5	Very low	146 Å²	146	106.3 Å²	106.3	78%	0.781	60%	0.596	S	S	*	*			trans	-59.3	92.8	178.4	-57.7	-88.8	0	0	0	112.6
115	Q	42.1	Very low	51.9	Low	172 Å²	172	104.3 Å²	104.3	80%	0.804	58%	0.582	S	S	*	*			trans	-127.1	79.7	165.1	-72.7	-59.1	-27.8	0	0	110	S113 S117	S113-Q115 PolarHBondContact O-N 3.34Å; Q115-S117 VanDerWaalsContact C-N 3.29Å; Q115-S117 PolarHBondContact O-N 2.93Å
116	N	36.8	Very low	54.6	Low	139 Å²	139	99.7 Å²	99.7	74%	0.743	55%	0.553	S	S	*	*			trans	-64.1	89.7	166	-72	-62.3	0	0	0	109.2	S118	N116-S118 PolarHBondContact O-N 3.23Å
117	S	53.6	Low	57.1	Low	35 Å²	35	94.9 Å²	94.9	25%	0.245	52%	0.524	C	S	.	.			trans	-65.9	84.6	152.4	175.2	0	0	0	0	106.9	Q115 W119 H152 R155	Q115-S117 VanDerWaalsContact C-N 3.29Å; Q115-S117 PolarHBondContact O-N 2.93Å; S117-W119 PolarHBondContact O-N 3.4Å; S117-H152 WeakPolarHBondContact OG-CB 3.41Å; S117-H152 PolarHBondContact OG-CD2 3.15Å; S117-R155 PolarHBondContact O-NH1 2.9Å; S117-R155 PolarHBondContact O-NH2 3.42Å; S117-R155 PolarHBondContact OG-NH2 3.05Å
118	S	63.5	Low	59.8	Low	92 Å²	92	92.2 Å²	92.2	64%	0.643	50%	0.503	S	S	*	.			trans	-55.1	105.2	-173.4	-74.1	0	0	0	0	110.2	N116 T120	N116-S118 PolarHBondContact O-N 3.23Å; S118-T120 PolarHBondContact O-N 3.25Å; S118-T120 VanDerWaalsContact O-N 3.07Å
119	W	75	Confident	62.1	Low	46 Å²	46	90.7 Å²	90.7	17%	0.174	50%	0.496	C	S	.	.			trans	-43.5	113.7	170.2	-76.5	93.4	0	0	0	110.6	S117 E123 L127 L145 R155 D159 V160 R163	S117-W119 PolarHBondContact O-N 3.4Å; W119-E123 WeakPolarHBondContact CA-OE2 3.46Å; W119-E123 HydrophobicContact CE3-CB 3.76Å; W119-E123 HydrophobicContact CZ3-CB 4.18Å; W119-L127 HydrophobicContact CZ3-CD2 4.3Å; W119-L145 HydrophobicContact CH2-CD1 4.39Å; W119-L145 HydrophobicContact CZ3-CD1 4.26Å; W119-R155 HydrophobicContact CH2-CG 4.25Å; W119-D159 HydrophobicContact CZ2-CB 4.19Å; W119-V160 HydrophobicContact CH2-CG2 4.07Å; W119-R163 HydrophobicContact CD2-CB 3.94Å; W119-R163 HydrophobicContact CD2-CG 3.52Å; W119-R163 HydrophobicContact CE3-CB 4.17Å; W119-R163 HydrophobicContact CE3-CG 3.63Å; W119-R163 HydrophobicContact CG-CG 3.95Å; W119-R163 HydrophobicContact CH2-CB 3.87Å; W119-R163 HydrophobicContact CH2-CG 4.24Å; W119-R163 HydrophobicContact CZ2-CB 3.6Å; W119-R163 HydrophobicContact CZ2-CG 4.15Å; W119-R163 HydrophobicContact CZ3-CB 4.14Å; W119-R163 HydrophobicContact CZ3-CG 4Å; W119-R163 PolarHBondContact O-NH2 3.21Å
120	T	81.7	Confident	64.9	Low	59 Å²	59	88.1 Å²	88.1	36%	0.362	47%	0.472	S	S	.	.			trans	-75	161.9	179.7	76.1	0	0	0	0	110.5	S118 D122 E123 D124	S118-T120 PolarHBondContact O-N 3.25Å; S118-T120 VanDerWaalsContact O-N 3.07Å; T120-D122 PolarHBondContact O-N 3.32Å; T120-D122 PolarHBondContact OG1-N 3.04Å; T120-E123 PolarHBondContact N-OE2 3.04Å; T120-E123 PolarHBondContact O-N 3.3Å; T120-E123 PolarHBondContact OG1-N 3.37Å; T120-D124 PolarHBondContact O-N 3.41Å
121	K	78.8	Confident	67.6	Low	166 Å²	166	83.8 Å²	83.8	72%	0.722	45%	0.446	S	S	*	.	H	α-helix	trans	-63.5	-22.4	172.8	-65.9	-179.3	-179.4	176.6	0	111.9	S125	K121-S125 WeakPolarHBondContact O-CB 3.37Å; K121-S125 PolarHBondContact O-N 3.27Å; K121-S125 PolarHBondContact O-OG 2.94Å
122	D	78.5	Confident	70	Confident	112 Å²	112	83.3 Å²	83.3	60%	0.599	44%	0.443	S	S	*	.	H	α-helix	trans	-82.2	-35	178.1	-43.3	-69.4	0	0	0	111.4	T120 D124 S125 T126	T120-D122 PolarHBondContact O-N 3.32Å; T120-D122 PolarHBondContact OG1-N 3.04Å; D122-D124 VanDerWaalsContact C-N 3.3Å; D122-S125 WeakPolarHBondContact CA-OG 3.33Å; D122-S125 PolarHBondContact O-OG 3.21Å; D122-T126 WeakPolarHBondContact O-CB 3.33Å; D122-T126 VanDerWaalsContact O-CG2 3.32Å; D122-T126 WeakPolarHBondContact O-CG2 3.39Å; D122-T126 PolarHBondContact O-N 3.45Å; D122-T126 PolarHBondContact O-OG1 3.36Å
123	E	82.7	Confident	72.4	Confident	15 Å²	15	78.7 Å²	78.7	7%	0.07	42%	0.422	C	S	.	.	H	α-helix	trans	-64.9	-34.4	165.4	-72.4	-179.8	109.6	0	0	111.5	W119 T120 T126 L127 R155	W119-E123 WeakPolarHBondContact CA-OE2 3.46Å; W119-E123 HydrophobicContact CE3-CB 3.76Å; W119-E123 HydrophobicContact CZ3-CB 4.18Å; T120-E123 PolarHBondContact N-OE2 3.04Å; T120-E123 PolarHBondContact O-N 3.3Å; T120-E123 PolarHBondContact OG1-N 3.37Å; E123-T126 WeakPolarHBondContact CA-OG1 3.21Å; E123-T126 PolarHBondContact O-OG1 3.13Å; E123-L127 WeakPolarHBondContact O-CB 3.31Å; E123-L127 PolarHBondContact O-N 3.24Å; E123-R155 IonicContact OE1-CZ 3.23Å; E123-R155 VanDerWaalsContact OE1-CZ 3.23Å; E123-R155 IonicContact OE1-NE 2.9Å; E123-R155 PolarHBondContact OE1-NE 3.36Å; E123-R155 IonicContact OE1-NH2 2.78Å; E123-R155 PolarHBondContact OE1-NH2 3.26Å; E123-R155 IonicContact OE2-CZ 3.87Å; E123-R155 IonicContact OE2-NH2 2.79Å; E123-R155 PolarHBondContact OE2-NH2 3.49Å
124	D	86.5	Confident	74.8	Confident	11 Å²	11	79 Å²	79	6%	0.059	41%	0.412	C	S	.	.	H	α-helix	trans	-70.1	-43	174.6	-69.4	-25.5	0	0	0	112.8	T120 D122 L127 L128 R163 V167	T120-D124 PolarHBondContact O-N 3.41Å; D122-D124 VanDerWaalsContact C-N 3.3Å; D124-L127 PolarHBondContact O-N 3.22Å; D124-L128 WeakPolarHBondContact O-CG 3.42Å; D124-L128 PolarHBondContact O-N 2.99Å; D124-R163 VanDerWaalsContact CG-NH2 3.33Å; D124-R163 IonicContact OD1-CZ 3.35Å; D124-R163 IonicContact OD1-NE 2.69Å; D124-R163 PolarHBondContact OD1-NE 3.25Å; D124-R163 IonicContact OD1-NH2 3.2Å; D124-R163 PolarHBondContact OD1-NH2 3.02Å; D124-R163 IonicContact OD2-CZ 3.56Å; D124-R163 IonicContact OD2-NE 3.64Å; D124-R163 IonicContact OD2-NH2 2.68Å; D124-R163 PolarHBondContact OD2-NH2 3.43Å; D124-V167 HydrophobicContact CB-CG2 4.14Å; D124-V167 VanDerWaalsContact OD1-CG2 3.26Å; D124-V167 WeakPolarHBondContact OD1-CG2 3.49Å
125	S	83.4	Confident	77.3	Confident	65 Å²	65	73.5 Å²	73.5	46%	0.455	39%	0.39	S	S	.	.	H	α-helix	trans	-69.3	-40.8	179.1	69.9	0	0	0	0	111.4	K121 D122 L128 Q129	K121-S125 WeakPolarHBondContact O-CB 3.37Å; K121-S125 PolarHBondContact O-N 3.27Å; K121-S125 PolarHBondContact O-OG 2.94Å; D122-S125 WeakPolarHBondContact CA-OG 3.33Å; D122-S125 PolarHBondContact O-OG 3.21Å; S125-L128 PolarHBondContact O-N 3.37Å; S125-Q129 WeakPolarHBondContact O-CB 3.47Å; S125-Q129 PolarHBondContact O-N 2.9Å
126	T	85.3	Confident	79.4	Confident	46 Å²	46	69.1 Å²	69.1	28%	0.282	38%	0.378	S	S	.	.	H	α-helix	trans	-66.6	-38	171.6	53.2	0	0	0	0	112	D122 E123 Q129 L130 L145	D122-T126 WeakPolarHBondContact O-CB 3.33Å; D122-T126 VanDerWaalsContact O-CG2 3.32Å; D122-T126 WeakPolarHBondContact O-CG2 3.39Å; D122-T126 PolarHBondContact O-N 3.45Å; D122-T126 PolarHBondContact O-OG1 3.36Å; E123-T126 WeakPolarHBondContact CA-OG1 3.21Å; E123-T126 PolarHBondContact O-OG1 3.13Å; T126-Q129 PolarHBondContact O-N 3.04Å; T126-L130 WeakPolarHBondContact O-CB 3.37Å; T126-L130 WeakPolarHBondContact O-CG 3.45Å; T126-L130 PolarHBondContact O-N 2.96Å; T126-L145 WeakPolarHBondContact OG1-CD2 3.35Å
127	L	87.5	Confident	81.7	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-59.5	-45.4	172	171.5	53.5	0	0	0	112.2	W119 E123 D124 L130 Y131 I141 L145 V160 R163	W119-L127 HydrophobicContact CZ3-CD2 4.3Å; E123-L127 WeakPolarHBondContact O-CB 3.31Å; E123-L127 PolarHBondContact O-N 3.24Å; D124-L127 PolarHBondContact O-N 3.22Å; L127-L130 PolarHBondContact O-N 3.4Å; L127-Y131 WeakPolarHBondContact O-CB 3.26Å; L127-Y131 PolarHBondContact O-N 2.73Å; L127-I141 HydrophobicContact CD1-CG2 3.66Å; L127-L145 HydrophobicContact CB-CD1 4.39Å; L127-L145 HydrophobicContact CD1-CD1 4.3Å; L127-V160 HydrophobicContact CD1-CG1 3.62Å; L127-R163 HydrophobicContact CD2-CB 3.84Å; L127-R163 HydrophobicContact CD2-CG 3.73Å
128	L	86.8	Confident	83.4	Confident	56 Å²	56	66 Å²	66	29%	0.293	36%	0.355	S	S	.	.	H	α-helix	trans	-63.5	-44.4	175.3	-71.4	171.2	0	0	0	111.6	D124 S125 L130 Y131 L132 Y164 V167	D124-L128 WeakPolarHBondContact O-CG 3.42Å; D124-L128 PolarHBondContact O-N 2.99Å; S125-L128 PolarHBondContact O-N 3.37Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L128-L130 PolarHBondContact O-N 2.82Å; L128-Y131 PolarHBondContact O-N 3.07Å; L128-L132 WeakPolarHBondContact O-CG 3.47Å; L128-L132 PolarHBondContact O-N 2.93Å; L128-Y164 HydrophobicContact CD2-CD2 4.36Å; L128-Y164 HydrophobicContact CD2-CE2 4.07Å; L128-V167 HydrophobicContact CD1-CG1 3.92Å; L128-V167 HydrophobicContact CD2-CG1 4.12Å; L128-V167 HydrophobicContact CG-CG1 4.1Å
129	Q	85.6	Confident	84.4	Confident	120 Å²	120	68.1 Å²	68.1	56%	0.561	36%	0.355	S	S	*	.	H	α-helix	trans	-64.1	-37.2	177.3	-171.7	67.2	1.1	0	0	112.7	S125 T126 L132 T133	S125-Q129 WeakPolarHBondContact O-CB 3.47Å; S125-Q129 PolarHBondContact O-N 2.9Å; T126-Q129 PolarHBondContact O-N 3.04Å; Q129-L132 PolarHBondContact O-N 3.03Å; Q129-T133 PolarHBondContact O-N 3.21Å; Q129-T133 PolarHBondContact O-OG1 3.2Å
130	L	87	Confident	84.8	Confident	22 Å²	22	69.5 Å²	69.5	12%	0.115	37%	0.365	C	S	.	.	H	α-helix	trans	-73.2	-34.2	176.1	-71.6	171.8	0	0	0	112	T126 L127 L128 T133 Y134 I141 R144 L145	T126-L130 WeakPolarHBondContact O-CB 3.37Å; T126-L130 WeakPolarHBondContact O-CG 3.45Å; T126-L130 PolarHBondContact O-N 2.96Å; L127-L130 PolarHBondContact O-N 3.4Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L128-L130 PolarHBondContact O-N 2.82Å; L130-T133 WeakPolarHBondContact CA-OG1 3.48Å; L130-T133 PolarHBondContact O-N 2.97Å; L130-T133 PolarHBondContact O-OG1 3.2Å; L130-Y134 HydrophobicContact CD2-CD2 4.03Å; L130-Y134 HydrophobicContact CD2-CE2 3.89Å; L130-Y134 WeakPolarHBondContact O-CB 3.35Å; L130-Y134 WeakPolarHBondContact O-CD2 3.39Å; L130-Y134 PolarHBondContact O-N 3.06Å; L130-I141 HydrophobicContact CB-CB 4.43Å; L130-I141 HydrophobicContact CB-CG1 4.09Å; L130-I141 HydrophobicContact CB-CG2 3.86Å; L130-I141 HydrophobicContact CD1-CG2 4.23Å; L130-R144 HydrophobicContact CD1-CB 3.84Å; L130-R144 HydrophobicContact CD2-CB 3.89Å; L130-R144 HydrophobicContact CD2-CG 4.33Å; L130-L145 HydrophobicContact CD1-CD2 3.9Å; L130-L145 HydrophobicContact CD1-CG 3.8Å
131	Y	88.4	Confident	85.1	Confident	65 Å²	65	66.7 Å²	66.7	26%	0.255	35%	0.348	S	S	.	.	H	α-helix	trans	-67.3	-39.3	170.4	-176.1	-87.8	0	0	0	112	L127 L128 T133 G135 W138 I141 Y164	L127-Y131 WeakPolarHBondContact O-CB 3.26Å; L127-Y131 PolarHBondContact O-N 2.73Å; L128-Y131 PolarHBondContact O-N 3.07Å; Y131-T133 PolarHBondContact O-N 3.46Å; Y131-G135 WeakPolarHBondContact CD2-O 3.36Å; Y131-G135 WeakPolarHBondContact O-CA 3.49Å; Y131-G135 PolarHBondContact O-N 3.45Å; Y131-W138 AromaticContact CD2-CH2 3.61Å; Y131-W138 HydrophobicContact CD2-CH2 3.61Å; Y131-W138 HydrophobicContact CD2-CZ2 4.47Å; Y131-W138 AromaticContact CD2-CZ3 3.88Å; Y131-W138 HydrophobicContact CD2-CZ3 3.88Å; Y131-W138 AromaticContact CE2-CH2 3.56Å; Y131-W138 HydrophobicContact CE2-CH2 3.56Å; Y131-W138 HydrophobicContact CE2-CZ2 4.07Å; Y131-W138 HydrophobicContact CE2-CZ3 4.29Å; Y131-I141 HydrophobicContact CD2-CD1 4.42Å; Y131-Y164 AromaticContact CD1-CE2 3.56Å; Y131-Y164 HydrophobicContact CD1-CE2 3.56Å; Y131-Y164 AromaticContact CD1-CZ 3.7Å; Y131-Y164 WeakPolarHBondContact CD1-OH 3.06Å; Y131-Y164 AromaticContact CD2-CD2 3.95Å; Y131-Y164 HydrophobicContact CD2-CD2 3.95Å; Y131-Y164 HydrophobicContact CD2-CE1 4.25Å; Y131-Y164 AromaticContact CD2-CE2 3.58Å; Y131-Y164 HydrophobicContact CD2-CE2 3.58Å; Y131-Y164 HydrophobicContact CD2-CG 4.44Å; Y131-Y164 AromaticContact CD2-CZ 3.74Å; Y131-Y164 HydrophobicContact CE1-CE2 4.05Å; Y131-Y164 AromaticContact CE1-CZ 3.67Å; Y131-Y164 WeakPolarHBondContact CE1-OH 3.4Å; Y131-Y164 AromaticContact CE2-CE1 3.97Å; Y131-Y164 HydrophobicContact CE2-CE1 3.97Å; Y131-Y164 HydrophobicContact CE2-CE2 4.05Å; Y131-Y164 AromaticContact CE2-CZ 3.7Å; Y131-Y164 AromaticContact CG-CD2 3.94Å; Y131-Y164 HydrophobicContact CG-CD2 3.94Å; Y131-Y164 AromaticContact CG-CE2 3.3Å; Y131-Y164 HydrophobicContact CG-CE2 3.3Å; Y131-Y164 AromaticContact CG-CZ 3.74Å; Y131-Y164 AromaticContact CZ-CZ 3.65Å
132	L	84.5	Confident	85.4	Confident	133 Å²	133	59 Å²	59	70%	0.696	32%	0.315	S	S	*	.	H	α-helix	trans	-64.2	-23.2	174.8	-73.4	169.8	0	0	0	113.3	L128 Q129	L128-L132 WeakPolarHBondContact O-CG 3.47Å; L128-L132 PolarHBondContact O-N 2.93Å; Q129-L132 PolarHBondContact O-N 3.03Å
133	T	85	Confident	85.6	Confident	79 Å²	79	58.3 Å²	58.3	49%	0.485	31%	0.312	S	S	.	.	H	α-helix	trans	-104.3	-26.8	-178	44.6	0	0	0	0	114.6	Q129 L130 Y131	Q129-T133 PolarHBondContact O-N 3.21Å; Q129-T133 PolarHBondContact O-OG1 3.2Å; L130-T133 WeakPolarHBondContact CA-OG1 3.48Å; L130-T133 PolarHBondContact O-N 2.97Å; L130-T133 PolarHBondContact O-OG1 3.2Å; Y131-T133 PolarHBondContact O-N 3.46Å
134	Y	84.3	Confident	85.7	Confident	81 Å²	81	63.3 Å²	63.3	32%	0.318	33%	0.33	S	S	.	.	H	α-helix	trans	-121.5	2.6	-178.3	-58.5	-69.6	0	0	0	114.3	L130 N137 L140 R144	L130-Y134 HydrophobicContact CD2-CD2 4.03Å; L130-Y134 HydrophobicContact CD2-CE2 3.89Å; L130-Y134 WeakPolarHBondContact O-CB 3.35Å; L130-Y134 WeakPolarHBondContact O-CD2 3.39Å; L130-Y134 PolarHBondContact O-N 3.06Å; Y134-N137 WeakPolarHBondContact O-CB 3.37Å; Y134-N137 PolarHBondContact O-N 2.69Å; Y134-L140 HydrophobicContact CD1-CD1 4.14Å; Y134-R144 VanDerWaalsContact CZ-CZ 3.46Å; Y134-R144 PolarHBondContact OH-NH1 3.4Å; Y134-R144 PolarHBondContact OH-NH2 2.68Å; Y134-R144 VanDerWaalsContact OH-NH2 3.12Å
135	G	86.5	Confident	85.4	Confident	30 Å²	30	63.2 Å²	63.2	31%	0.309	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	-140	-179.5	0	0	0	0	0	112	Y131 N137 I141	Y131-G135 WeakPolarHBondContact CD2-O 3.36Å; Y131-G135 WeakPolarHBondContact O-CA 3.49Å; Y131-G135 PolarHBondContact O-N 3.45Å; G135-N137 PolarHBondContact O-N 3.15Å; G135-N137 VanDerWaalsContact O-N 3.15Å; G135-I141 VanDerWaalsContact O-CD1 3.26Å; G135-I141 WeakPolarHBondContact O-CD1 3.43Å
136	S	85.8	Confident	85.1	Confident	80 Å²	80	62.4 Å²	62.4	56%	0.559	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	25.4	177.5	64.2	0	0	0	0	114.3	W138	S136-W138 VanDerWaalsContact C-N 3.29Å; S136-W138 PolarHBondContact O-N 3.48Å; S136-W138 PolarHBondContact O-NE1 2.96Å
137	N	85.7	Confident	84.3	Confident	61 Å²	61	66 Å²	66	33%	0.326	34%	0.344	S	S	.	.			trans	-82	76.5	174.6	-167.5	-35.4	0	0	0	110.4	Y134 G135 E139 L140 I141	Y134-N137 WeakPolarHBondContact O-CB 3.37Å; Y134-N137 PolarHBondContact O-N 2.69Å; G135-N137 PolarHBondContact O-N 3.15Å; G135-N137 VanDerWaalsContact O-N 3.15Å; N137-E139 PolarHBondContact O-N 3.43Å; N137-E139 VanDerWaalsContact O-N 3.17Å; N137-L140 HydrophobicContact CB-CB 4.37Å; N137-L140 HydrophobicContact CB-CD1 4.48Å; N137-L140 WeakPolarHBondContact ND2-CD1 3.39Å; N137-L140 PolarHBondContact O-N 3.32Å; N137-L140 WeakPolarHBondContact OD1-CG 3.37Å; N137-L140 PolarHBondContact OD1-N 3.19Å; N137-I141 VanDerWaalsContact O-CG1 3.31Å; N137-I141 WeakPolarHBondContact O-CG1 3.38Å; N137-I141 PolarHBondContact O-N 3.37Å
138	W	89.2	Confident	83.1	Confident	48 Å²	48	69.9 Å²	69.9	18%	0.182	37%	0.371	C	S	.	.	H	α-helix	trans	-60.2	-25.7	-174.4	-53.1	113.4	0	0	0	114.1	Y131 S136 I141 A142 A157 V160 R161 Y164	Y131-W138 AromaticContact CD2-CH2 3.61Å; Y131-W138 HydrophobicContact CD2-CH2 3.61Å; Y131-W138 HydrophobicContact CD2-CZ2 4.47Å; Y131-W138 AromaticContact CD2-CZ3 3.88Å; Y131-W138 HydrophobicContact CD2-CZ3 3.88Å; Y131-W138 AromaticContact CE2-CH2 3.56Å; Y131-W138 HydrophobicContact CE2-CH2 3.56Å; Y131-W138 HydrophobicContact CE2-CZ2 4.07Å; Y131-W138 HydrophobicContact CE2-CZ3 4.29Å; S136-W138 VanDerWaalsContact C-N 3.29Å; S136-W138 PolarHBondContact O-N 3.48Å; S136-W138 PolarHBondContact O-NE1 2.96Å; W138-I141 HydrophobicContact CE3-CD1 4.2Å; W138-I141 HydrophobicContact CZ3-CD1 4.37Å; W138-A142 WeakPolarHBondContact O-CB 3.29Å; W138-A142 PolarHBondContact O-N 3.09Å; W138-A157 HydrophobicContact CB-CB 3.81Å; W138-V160 HydrophobicContact CE3-CG1 4.12Å; W138-R161 HydrophobicContact CD2-CB 3.7Å; W138-R161 HydrophobicContact CD2-CG 3.98Å; W138-R161 HydrophobicContact CE3-CB 3.91Å; W138-R161 HydrophobicContact CE3-CG 4.38Å; W138-R161 HydrophobicContact CG-CB 4.04Å; W138-R161 HydrophobicContact CG-CG 4.49Å; W138-R161 HydrophobicContact CH2-CG 4.31Å; W138-R161 HydrophobicContact CZ2-CB 4.46Å; W138-R161 HydrophobicContact CZ2-CG 3.89Å; W138-R161 HydrophobicContact CZ3-CB 4.38Å; W138-Y164 AromaticContact CH2-CD1 3.56Å; W138-Y164 HydrophobicContact CH2-CD1 3.56Å; W138-Y164 HydrophobicContact CH2-CD2 4.41Å; W138-Y164 HydrophobicContact CH2-CE1 4.14Å; W138-Y164 AromaticContact CH2-CG 3.72Å; W138-Y164 HydrophobicContact CH2-CG 3.72Å; W138-Y164 HydrophobicContact CZ3-CD1 4.19Å; W138-Y164 HydrophobicContact CZ3-CD2 4.41Å; W138-Y164 AromaticContact CZ3-CG 3.87Å; W138-Y164 HydrophobicContact CZ3-CG 3.87Å
139	E	84.4	Confident	81.5	Confident	135 Å²	135	70.9 Å²	70.9	63%	0.631	40%	0.395	S	S	*	.	H	α-helix	trans	-74.6	-45.3	176.8	-68.2	178.4	-174.6	0	0	112	N137 I141 A142 N143 A157	N137-E139 PolarHBondContact O-N 3.43Å; N137-E139 VanDerWaalsContact O-N 3.17Å; E139-I141 VanDerWaalsContact C-N 3.32Å; E139-I141 PolarHBondContact O-N 3.38Å; E139-A142 PolarHBondContact O-N 3.33Å; E139-N143 WeakPolarHBondContact O-CB 3.39Å; E139-N143 PolarHBondContact O-N 3.26Å; E139-N143 PolarHBondContact O-ND2 3.09Å; E139-A157 HydrophobicContact CG-CB 3.96Å
140	L	83.6	Confident	80	Confident	75 Å²	75	67.4 Å²	67.4	39%	0.393	38%	0.384	S	S	.	.	H	α-helix	trans	-63.9	-38.4	173.3	-72.2	-176.3	0	0	0	111.9	Y134 N137 R144	Y134-L140 HydrophobicContact CD1-CD1 4.14Å; N137-L140 HydrophobicContact CB-CB 4.37Å; N137-L140 HydrophobicContact CB-CD1 4.48Å; N137-L140 WeakPolarHBondContact ND2-CD1 3.39Å; N137-L140 PolarHBondContact O-N 3.32Å; N137-L140 WeakPolarHBondContact OD1-CG 3.37Å; N137-L140 PolarHBondContact OD1-N 3.19Å; L140-R144 WeakPolarHBondContact O-CB 3.3Å; L140-R144 WeakPolarHBondContact O-CG 3.4Å; L140-R144 PolarHBondContact O-N 2.7Å
141	I	86.8	Confident	78.4	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-66.4	-45.9	176.5	-61.7	171.6	0	0	0	110.3	L127 L130 Y131 G135 N137 W138 E139 R144 L145 V160	L127-I141 HydrophobicContact CD1-CG2 3.66Å; L130-I141 HydrophobicContact CB-CB 4.43Å; L130-I141 HydrophobicContact CB-CG1 4.09Å; L130-I141 HydrophobicContact CB-CG2 3.86Å; L130-I141 HydrophobicContact CD1-CG2 4.23Å; Y131-I141 HydrophobicContact CD2-CD1 4.42Å; G135-I141 VanDerWaalsContact O-CD1 3.26Å; G135-I141 WeakPolarHBondContact O-CD1 3.43Å; N137-I141 VanDerWaalsContact O-CG1 3.31Å; N137-I141 WeakPolarHBondContact O-CG1 3.38Å; N137-I141 PolarHBondContact O-N 3.37Å; W138-I141 HydrophobicContact CE3-CD1 4.2Å; W138-I141 HydrophobicContact CZ3-CD1 4.37Å; E139-I141 VanDerWaalsContact C-N 3.32Å; E139-I141 PolarHBondContact O-N 3.38Å; I141-R144 PolarHBondContact O-N 3.4Å; I141-L145 HydrophobicContact CG2-CD1 3.94Å; I141-L145 HydrophobicContact CG2-CG 4.42Å; I141-L145 WeakPolarHBondContact O-CB 3.26Å; I141-L145 WeakPolarHBondContact O-CG 3.3Å; I141-L145 PolarHBondContact O-N 3.05Å; I141-V160 HydrophobicContact CB-CG1 4.08Å; I141-V160 HydrophobicContact CG2-CG1 3.46Å; I141-V160 VanDerWaalsContact CG2-CG1 3.46Å
142	A	86.1	Confident	76.9	Confident	4 Å²	4	76.9 Å²	76.9	3%	0.033	43%	0.434	C	S	.	.	H	α-helix	trans	-58.9	-51	175.5	0	0	0	0	0	112.3	W138 E139 R144 L145 T146 V160	W138-A142 WeakPolarHBondContact O-CB 3.29Å; W138-A142 PolarHBondContact O-N 3.09Å; E139-A142 PolarHBondContact O-N 3.33Å; A142-R144 VanDerWaalsContact C-N 3.3Å; A142-R144 PolarHBondContact O-N 2.8Å; A142-L145 PolarHBondContact O-N 2.97Å; A142-T146 WeakPolarHBondContact O-CG2 3.36Å; A142-T146 PolarHBondContact O-N 3.45Å; A142-T146 PolarHBondContact O-OG1 3.02Å; A142-V160 HydrophobicContact CB-CG2 3.84Å
143	N	83.7	Confident	75.8	Confident	99 Å²	99	80.1 Å²	80.1	53%	0.529	44%	0.443	S	S	.	.	H	α-helix	trans	-57.7	-43.6	178.3	-71.7	-27.3	0	0	0	111.2	E139 T146 T147	E139-N143 WeakPolarHBondContact O-CB 3.39Å; E139-N143 PolarHBondContact O-N 3.26Å; E139-N143 PolarHBondContact O-ND2 3.09Å; N143-T146 WeakPolarHBondContact CA-OG1 3.28Å; N143-T146 PolarHBondContact O-N 2.98Å; N143-T146 PolarHBondContact O-OG1 3.16Å; N143-T147 PolarHBondContact O-N 3.13Å; N143-T147 PolarHBondContact O-OG1 3.46Å; N143-T147 VanDerWaalsContact O-OG1 3.04Å
144	R	83.1	Confident	75	Confident	120 Å²	120	84.7 Å²	84.7	45%	0.453	46%	0.456	S	S	.	.	H	α-helix	trans	-66	-42.5	176.8	-76.1	178.2	170.9	-111.6	-3.2	113.1	L130 Y134 L140 I141 A142 T146 T147 S148	L130-R144 HydrophobicContact CD1-CB 3.84Å; L130-R144 HydrophobicContact CD2-CB 3.89Å; L130-R144 HydrophobicContact CD2-CG 4.33Å; Y134-R144 VanDerWaalsContact CZ-CZ 3.46Å; Y134-R144 PolarHBondContact OH-NH1 3.4Å; Y134-R144 PolarHBondContact OH-NH2 2.68Å; Y134-R144 VanDerWaalsContact OH-NH2 3.12Å; L140-R144 WeakPolarHBondContact O-CB 3.3Å; L140-R144 WeakPolarHBondContact O-CG 3.4Å; L140-R144 PolarHBondContact O-N 2.7Å; I141-R144 PolarHBondContact O-N 3.4Å; A142-R144 VanDerWaalsContact C-N 3.3Å; A142-R144 PolarHBondContact O-N 2.8Å; R144-T146 VanDerWaalsContact C-N 3.31Å; R144-T146 PolarHBondContact O-N 3.28Å; R144-T147 PolarHBondContact O-N 3.31Å; R144-S148 VanDerWaalsContact O-CB 3.31Å; R144-S148 WeakPolarHBondContact O-CB 3.46Å; R144-S148 PolarHBondContact O-N 3.14Å
145	L	80.4	Confident	74.6	Confident	9 Å²	9	82.2 Å²	82.2	5%	0.047	45%	0.446	C	S	.	.	H	α-helix	trans	-61.2	-39.3	173.6	-73.3	169.7	0	0	0	111.7	W119 T126 L127 L130 I141 A142 T147 S148 V160	W119-L145 HydrophobicContact CH2-CD1 4.39Å; W119-L145 HydrophobicContact CZ3-CD1 4.26Å; T126-L145 WeakPolarHBondContact OG1-CD2 3.35Å; L127-L145 HydrophobicContact CB-CD1 4.39Å; L127-L145 HydrophobicContact CD1-CD1 4.3Å; L130-L145 HydrophobicContact CD1-CD2 3.9Å; L130-L145 HydrophobicContact CD1-CG 3.8Å; I141-L145 HydrophobicContact CG2-CD1 3.94Å; I141-L145 HydrophobicContact CG2-CG 4.42Å; I141-L145 WeakPolarHBondContact O-CB 3.26Å; I141-L145 WeakPolarHBondContact O-CG 3.3Å; I141-L145 PolarHBondContact O-N 3.05Å; A142-L145 PolarHBondContact O-N 2.97Å; L145-T147 VanDerWaalsContact C-N 3.35Å; L145-T147 PolarHBondContact O-N 3.33Å; L145-S148 PolarHBondContact O-N 3.42Å; L145-V160 HydrophobicContact CD1-CG1 4.04Å; L145-V160 HydrophobicContact CD1-CG2 3.8Å
146	T	78.6	Confident	74.5	Confident	47 Å²	47	84.2 Å²	84.2	29%	0.288	45%	0.452	S	S	.	.	H	α-helix	trans	-71.3	-26.4	176.4	57.4	0	0	0	0	114.2	A142 N143 R144 K154 R155	A142-T146 WeakPolarHBondContact O-CG2 3.36Å; A142-T146 PolarHBondContact O-N 3.45Å; A142-T146 PolarHBondContact O-OG1 3.02Å; N143-T146 WeakPolarHBondContact CA-OG1 3.28Å; N143-T146 PolarHBondContact O-N 2.98Å; N143-T146 PolarHBondContact O-OG1 3.16Å; R144-T146 VanDerWaalsContact C-N 3.31Å; R144-T146 PolarHBondContact O-N 3.28Å; T146-K154 HydrophobicContact CG2-CB 4.05Å; T146-K154 HydrophobicContact CG2-CG 4.35Å; T146-R155 HydrophobicContact CG2-CB 4.21Å; T146-R155 VanDerWaalsContact CG2-N 3.31Å
147	T	68.1	Low	74.4	Confident	121 Å²	121	81.8 Å²	81.8	74%	0.742	44%	0.437	S	S	*	.	H	α-helix	trans	-83.4	-23.8	175.5	-59.2	0	0	0	0	112.2	N143 R144 L145 G149	N143-T147 PolarHBondContact O-N 3.13Å; N143-T147 PolarHBondContact O-OG1 3.46Å; N143-T147 VanDerWaalsContact O-OG1 3.04Å; R144-T147 PolarHBondContact O-N 3.31Å; L145-T147 VanDerWaalsContact C-N 3.35Å; L145-T147 PolarHBondContact O-N 3.33Å; T147-G149 PolarHBondContact O-N 2.93Å
148	S	61.4	Low	74.3	Confident	83 Å²	83	84 Å²	84	58%	0.58	45%	0.448	S	S	*	.	S	Bend	trans	-78.5	24.5	-171.9	-163.8	0	0	0	0	115.7	R144 L145	R144-S148 VanDerWaalsContact O-CB 3.31Å; R144-S148 WeakPolarHBondContact O-CB 3.46Å; R144-S148 PolarHBondContact O-N 3.14Å; L145-S148 PolarHBondContact O-N 3.42Å
149	G	54.2	Low	74.1	Confident	76 Å²	76	84.7 Å²	84.7	78%	0.784	46%	0.456	S	S	*	.	S	Bend	trans	85.5	32	161.3	0	0	0	0	0	117.9	T147	T147-G149 PolarHBondContact O-N 2.93Å
150	S	53.4	Low	74.2	Confident	48 Å²	48	78.3 Å²	78.3	34%	0.336	43%	0.426	S	S	.	.			trans	-103.5	134.5	168.2	-172.8	0	0	0	0	111.1	H152	S150-H152 PolarHBondContact O-N 3.34Å
151	L	54	Low	74.5	Confident	172 Å²	172	77.7 Å²	77.7	90%	0.901	42%	0.418	S	S	*	.			trans	-77.1	30	-171.8	-153.6	78.6	0	0	0	113.5
152	H	55.3	Low	74.5	Confident	114 Å²	114	82.3 Å²	82.3	53%	0.528	44%	0.439	S	S	.	.	S	Bend	trans	-128.9	143.8	-164	-64.2	-31.9	0	0	0	112.8	S117 S150 K154	S117-H152 WeakPolarHBondContact OG-CB 3.41Å; S117-H152 PolarHBondContact OG-CD2 3.15Å; S150-H152 PolarHBondContact O-N 3.34Å; H152-K154 PolarHBondContact O-N 3.16Å
153	K	62	Low	74.5	Confident	200 Å²	200	84.7 Å²	84.7	87%	0.87	45%	0.448	S	S	*	.			trans	-32.6	126.5	-177.8	-176.3	178.3	-178.8	179.2	0	113.1	R155	K153-R155 PolarHBondContact O-N 3.29Å
154	K	68.7	Low	74.8	Confident	175 Å²	175	81 Å²	81	76%	0.761	43%	0.427	S	S	*	.			trans	-39.2	109	-178.1	-70.3	-175.4	178	-177.2	0	111.9	T146 H152 T156	T146-K154 HydrophobicContact CG2-CB 4.05Å; T146-K154 HydrophobicContact CG2-CG 4.35Å; H152-K154 PolarHBondContact O-N 3.16Å; K154-T156 PolarHBondContact O-N 3.14Å
155	R	75.9	Confident	74.8	Confident	30 Å²	30	76.9 Å²	76.9	11%	0.113	41%	0.412	C	S	.	.			trans	-59.3	126.9	173.2	-57	-66.1	-168.1	-171.1	1.3	108.2	S117 W119 E123 T146 K153 V160	S117-R155 PolarHBondContact O-NH1 2.9Å; S117-R155 PolarHBondContact O-NH2 3.42Å; S117-R155 PolarHBondContact OG-NH2 3.05Å; W119-R155 HydrophobicContact CH2-CG 4.25Å; E123-R155 IonicContact OE1-CZ 3.23Å; E123-R155 VanDerWaalsContact OE1-CZ 3.23Å; E123-R155 IonicContact OE1-NE 2.9Å; E123-R155 PolarHBondContact OE1-NE 3.36Å; E123-R155 IonicContact OE1-NH2 2.78Å; E123-R155 PolarHBondContact OE1-NH2 3.26Å; E123-R155 IonicContact OE2-CZ 3.87Å; E123-R155 IonicContact OE2-NH2 2.79Å; E123-R155 PolarHBondContact OE2-NH2 3.49Å; T146-R155 HydrophobicContact CG2-CB 4.21Å; T146-R155 VanDerWaalsContact CG2-N 3.31Å; K153-R155 PolarHBondContact O-N 3.29Å; R155-V160 HydrophobicContact CB-CG2 3.92Å
156	T	83.4	Confident	74.9	Confident	72 Å²	72	82.5 Å²	82.5	44%	0.442	44%	0.437	S	S	.	.			trans	-83.7	159.2	174.7	70.3	0	0	0	0	110.9	K154 L158 D159 V160	K154-T156 PolarHBondContact O-N 3.14Å; T156-L158 PolarHBondContact O-N 2.87Å; T156-L158 VanDerWaalsContact O-N 3.1Å; T156-L158 PolarHBondContact OG1-N 3.27Å; T156-D159 VanDerWaalsContact CB-OD2 3.3Å; T156-D159 WeakPolarHBondContact CB-OD2 3.48Å; T156-D159 WeakPolarHBondContact CG2-OD2 3.03Å; T156-D159 PolarHBondContact N-OD2 3.48Å; T156-D159 PolarHBondContact O-N 3.45Å; T156-D159 PolarHBondContact OG1-N 3.29Å; T156-D159 PolarHBondContact OG1-OD2 2.99Å; T156-V160 VanDerWaalsContact O-CG2 3.26Å; T156-V160 WeakPolarHBondContact O-CG2 3.18Å; T156-V160 PolarHBondContact O-N 3.28Å
157	A	84.5	Confident	75.2	Confident	29 Å²	29	80.3 Å²	80.3	24%	0.24	42%	0.423	C	S	.	.	H	α-helix	trans	-52.9	-31	172.5	0	0	0	0	0	112.9	W138 E139 R161	W138-A157 HydrophobicContact CB-CB 3.81Å; E139-A157 HydrophobicContact CG-CB 3.96Å; A157-R161 VanDerWaalsContact O-CB 3.3Å; A157-R161 WeakPolarHBondContact O-CB 3.13Å; A157-R161 PolarHBondContact O-N 3.48Å; A157-R161 VanDerWaalsContact O-N 3.09Å
158	L	83.5	Confident	75.8	Confident	108 Å²	108	75.2 Å²	75.2	57%	0.565	39%	0.392	S	S	*	.	H	α-helix	trans	-73.1	-44.2	176.6	-175.7	148.3	0	0	0	112.1	T156 V160 R161 Q162	T156-L158 PolarHBondContact O-N 2.87Å; T156-L158 VanDerWaalsContact O-N 3.1Å; T156-L158 PolarHBondContact OG1-N 3.27Å; L158-V160 PolarHBondContact O-N 3.45Å; L158-R161 PolarHBondContact O-N 2.77Å; L158-Q162 HydrophobicContact CD2-CG 4.43Å; L158-Q162 WeakPolarHBondContact O-CB 3.4Å; L158-Q162 WeakPolarHBondContact O-CG 3.21Å; L158-Q162 PolarHBondContact O-N 3.3Å
159	D	84.9	Confident	76	Confident	62 Å²	62	74 Å²	74	33%	0.332	38%	0.379	S	S	.	.	H	α-helix	trans	-60.8	-46.2	175.8	-56.9	-55.3	0	0	0	111.3	W119 T156 Q162 R163	W119-D159 HydrophobicContact CZ2-CB 4.19Å; T156-D159 VanDerWaalsContact CB-OD2 3.3Å; T156-D159 WeakPolarHBondContact CB-OD2 3.48Å; T156-D159 WeakPolarHBondContact CG2-OD2 3.03Å; T156-D159 PolarHBondContact N-OD2 3.48Å; T156-D159 PolarHBondContact O-N 3.45Å; T156-D159 PolarHBondContact OG1-N 3.29Å; T156-D159 PolarHBondContact OG1-OD2 2.99Å; D159-Q162 PolarHBondContact O-N 3.13Å; D159-R163 PolarHBondContact O-N 2.82Å
160	V	87.5	Confident	76.7	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-60.1	-47.5	179.7	170.9	0	0	0	0	110.9	W119 L127 W138 I141 A142 L145 R155 T156 L158 R163 Y164	W119-V160 HydrophobicContact CH2-CG2 4.07Å; L127-V160 HydrophobicContact CD1-CG1 3.62Å; W138-V160 HydrophobicContact CE3-CG1 4.12Å; I141-V160 HydrophobicContact CB-CG1 4.08Å; I141-V160 HydrophobicContact CG2-CG1 3.46Å; I141-V160 VanDerWaalsContact CG2-CG1 3.46Å; A142-V160 HydrophobicContact CB-CG2 3.84Å; L145-V160 HydrophobicContact CD1-CG1 4.04Å; L145-V160 HydrophobicContact CD1-CG2 3.8Å; R155-V160 HydrophobicContact CB-CG2 3.92Å; T156-V160 VanDerWaalsContact O-CG2 3.26Å; T156-V160 WeakPolarHBondContact O-CG2 3.18Å; T156-V160 PolarHBondContact O-N 3.28Å; L158-V160 PolarHBondContact O-N 3.45Å; V160-R163 PolarHBondContact O-N 3.02Å; V160-Y164 PolarHBondContact O-N 3.23Å
161	R	88.8	Confident	77	Confident	63 Å²	63	82.6 Å²	82.6	24%	0.238	39%	0.387	C	S	.	.	H	α-helix	trans	-62.5	-46.2	175.6	-178.4	-178.8	164.4	-160.7	-16.4	111.9	W138 A157 L158 R163 Y164 E165 F187	W138-R161 HydrophobicContact CD2-CB 3.7Å; W138-R161 HydrophobicContact CD2-CG 3.98Å; W138-R161 HydrophobicContact CE3-CB 3.91Å; W138-R161 HydrophobicContact CE3-CG 4.38Å; W138-R161 HydrophobicContact CG-CB 4.04Å; W138-R161 HydrophobicContact CG-CG 4.49Å; W138-R161 HydrophobicContact CH2-CG 4.31Å; W138-R161 HydrophobicContact CZ2-CB 4.46Å; W138-R161 HydrophobicContact CZ2-CG 3.89Å; W138-R161 HydrophobicContact CZ3-CB 4.38Å; A157-R161 VanDerWaalsContact O-CB 3.3Å; A157-R161 WeakPolarHBondContact O-CB 3.13Å; A157-R161 PolarHBondContact O-N 3.48Å; A157-R161 VanDerWaalsContact O-N 3.09Å; L158-R161 PolarHBondContact O-N 2.77Å; R161-R163 VanDerWaalsContact C-N 3.28Å; R161-R163 PolarHBondContact O-N 3.33Å; R161-Y164 PolarHBondContact O-N 3.11Å; R161-E165 IonicContact CZ-OE1 3.21Å; R161-E165 IonicContact NE-OE1 2.78Å; R161-E165 PolarHBondContact NE-OE1 2.85Å; R161-E165 IonicContact NH2-OE1 2.75Å; R161-E165 PolarHBondContact NH2-OE1 2.97Å; R161-E165 PolarHBondContact O-N 3.23Å; R161-F187 VanDerWaalsContact NH2-CG 3.25Å; R161-F187 VanDerWaalsContact NH2-CZ 3.3Å
162	Q	86.5	Confident	76.8	Confident	96 Å²	96	79.1 Å²	79.1	45%	0.449	36%	0.362	S	S	.	.	H	α-helix	trans	-62.5	-35.4	177.6	-75.8	-170.9	13.9	0	0	112.2	L158 D159 K166	L158-Q162 HydrophobicContact CD2-CG 4.43Å; L158-Q162 WeakPolarHBondContact O-CB 3.4Å; L158-Q162 WeakPolarHBondContact O-CG 3.21Å; L158-Q162 PolarHBondContact O-N 3.3Å; D159-Q162 PolarHBondContact O-N 3.13Å; Q162-K166 WeakPolarHBondContact O-CG 3.41Å; Q162-K166 PolarHBondContact O-N 3.47Å; Q162-K166 VanDerWaalsContact O-N 3.13Å
163	R	87.6	Confident	76.4	Confident	54 Å²	54	78 Å²	78	20%	0.204	37%	0.365	C	S	.	.	H	α-helix	trans	-68.3	-45.2	173.5	-173.7	64.2	177.6	-162	-5	111.3	W119 D124 L127 D159 V160 R161 E165 K166 V167	W119-R163 HydrophobicContact CD2-CB 3.94Å; W119-R163 HydrophobicContact CD2-CG 3.52Å; W119-R163 HydrophobicContact CE3-CB 4.17Å; W119-R163 HydrophobicContact CE3-CG 3.63Å; W119-R163 HydrophobicContact CG-CG 3.95Å; W119-R163 HydrophobicContact CH2-CB 3.87Å; W119-R163 HydrophobicContact CH2-CG 4.24Å; W119-R163 HydrophobicContact CZ2-CB 3.6Å; W119-R163 HydrophobicContact CZ2-CG 4.15Å; W119-R163 HydrophobicContact CZ3-CB 4.14Å; W119-R163 HydrophobicContact CZ3-CG 4Å; W119-R163 PolarHBondContact O-NH2 3.21Å; D124-R163 VanDerWaalsContact CG-NH2 3.33Å; D124-R163 IonicContact OD1-CZ 3.35Å; D124-R163 IonicContact OD1-NE 2.69Å; D124-R163 PolarHBondContact OD1-NE 3.25Å; D124-R163 IonicContact OD1-NH2 3.2Å; D124-R163 PolarHBondContact OD1-NH2 3.02Å; D124-R163 IonicContact OD2-CZ 3.56Å; D124-R163 IonicContact OD2-NE 3.64Å; D124-R163 IonicContact OD2-NH2 2.68Å; D124-R163 PolarHBondContact OD2-NH2 3.43Å; L127-R163 HydrophobicContact CD2-CB 3.84Å; L127-R163 HydrophobicContact CD2-CG 3.73Å; D159-R163 PolarHBondContact O-N 2.82Å; V160-R163 PolarHBondContact O-N 3.02Å; R161-R163 VanDerWaalsContact C-N 3.28Å; R161-R163 PolarHBondContact O-N 3.33Å; R163-E165 VanDerWaalsContact C-N 3.3Å; R163-E165 PolarHBondContact O-N 2.92Å; R163-K166 CarbonylContact O-C 3.18Å; R163-K166 WeakPolarHBondContact O-CA 3.33Å; R163-K166 WeakPolarHBondContact O-CB 3.39Å; R163-K166 PolarHBondContact O-N 3.4Å; R163-V167 HydrophobicContact CG-CG2 3.92Å; R163-V167 WeakPolarHBondContact O-CB 3.46Å; R163-V167 VanDerWaalsContact O-CG2 3.31Å; R163-V167 WeakPolarHBondContact O-CG2 3.44Å; R163-V167 PolarHBondContact O-N 3.44Å
164	Y	89.4	Confident	75.9	Confident	22 Å²	22	73.5 Å²	73.5	9%	0.086	36%	0.355	C	S	.	.	H	α-helix	trans	-56.5	-45.9	177	177	-90.3	0	0	0	111.3	L128 Y131 W138 V160 R161 K166 V167 V168	L128-Y164 HydrophobicContact CD2-CD2 4.36Å; L128-Y164 HydrophobicContact CD2-CE2 4.07Å; Y131-Y164 AromaticContact CD1-CE2 3.56Å; Y131-Y164 HydrophobicContact CD1-CE2 3.56Å; Y131-Y164 AromaticContact CD1-CZ 3.7Å; Y131-Y164 WeakPolarHBondContact CD1-OH 3.06Å; Y131-Y164 AromaticContact CD2-CD2 3.95Å; Y131-Y164 HydrophobicContact CD2-CD2 3.95Å; Y131-Y164 HydrophobicContact CD2-CE1 4.25Å; Y131-Y164 AromaticContact CD2-CE2 3.58Å; Y131-Y164 HydrophobicContact CD2-CE2 3.58Å; Y131-Y164 HydrophobicContact CD2-CG 4.44Å; Y131-Y164 AromaticContact CD2-CZ 3.74Å; Y131-Y164 HydrophobicContact CE1-CE2 4.05Å; Y131-Y164 AromaticContact CE1-CZ 3.67Å; Y131-Y164 WeakPolarHBondContact CE1-OH 3.4Å; Y131-Y164 AromaticContact CE2-CE1 3.97Å; Y131-Y164 HydrophobicContact CE2-CE1 3.97Å; Y131-Y164 HydrophobicContact CE2-CE2 4.05Å; Y131-Y164 AromaticContact CE2-CZ 3.7Å; Y131-Y164 AromaticContact CG-CD2 3.94Å; Y131-Y164 HydrophobicContact CG-CD2 3.94Å; Y131-Y164 AromaticContact CG-CE2 3.3Å; Y131-Y164 HydrophobicContact CG-CE2 3.3Å; Y131-Y164 AromaticContact CG-CZ 3.74Å; Y131-Y164 AromaticContact CZ-CZ 3.65Å; W138-Y164 AromaticContact CH2-CD1 3.56Å; W138-Y164 HydrophobicContact CH2-CD1 3.56Å; W138-Y164 HydrophobicContact CH2-CD2 4.41Å; W138-Y164 HydrophobicContact CH2-CE1 4.14Å; W138-Y164 AromaticContact CH2-CG 3.72Å; W138-Y164 HydrophobicContact CH2-CG 3.72Å; W138-Y164 HydrophobicContact CZ3-CD1 4.19Å; W138-Y164 HydrophobicContact CZ3-CD2 4.41Å; W138-Y164 AromaticContact CZ3-CG 3.87Å; W138-Y164 HydrophobicContact CZ3-CG 3.87Å; V160-Y164 PolarHBondContact O-N 3.23Å; R161-Y164 PolarHBondContact O-N 3.11Å; Y164-K166 VanDerWaalsContact C-N 3.33Å; Y164-K166 PolarHBondContact O-N 3.48Å; Y164-V167 PolarHBondContact O-N 2.94Å; Y164-V168 HydrophobicContact CD1-CG2 4.11Å; Y164-V168 HydrophobicContact CD2-CG2 4.28Å; Y164-V168 HydrophobicContact CE1-CG2 3.64Å; Y164-V168 HydrophobicContact CE2-CG2 3.83Å; Y164-V168 HydrophobicContact CG-CG2 4.4Å; Y164-V168 VanDerWaalsContact CZ-CG2 3.48Å; Y164-V168 WeakPolarHBondContact O-CB 3.32Å; Y164-V168 WeakPolarHBondContact O-CG2 3.35Å; Y164-V168 PolarHBondContact O-N 3.5Å
165	E	82.6	Confident	74.8	Confident	33 Å²	33	72.1 Å²	72.1	15%	0.154	36%	0.355	C	S	.	.	H	α-helix	trans	-61.4	-38	176	-71.5	177.8	-165.4	0	0	112.3	R161 R163 L169	R161-E165 IonicContact CZ-OE1 3.21Å; R161-E165 IonicContact NE-OE1 2.78Å; R161-E165 PolarHBondContact NE-OE1 2.85Å; R161-E165 IonicContact NH2-OE1 2.75Å; R161-E165 PolarHBondContact NH2-OE1 2.97Å; R161-E165 PolarHBondContact O-N 3.23Å; R163-E165 VanDerWaalsContact C-N 3.3Å; R163-E165 PolarHBondContact O-N 2.92Å; E165-L169 VanDerWaalsContact O-CB 3.31Å; E165-L169 WeakPolarHBondContact O-CB 3.15Å; E165-L169 WeakPolarHBondContact O-CD1 3.31Å; E165-L169 WeakPolarHBondContact O-CG 3.43Å; E165-L169 PolarHBondContact O-N 2.75Å; E165-L169 VanDerWaalsContact O-N 3.09Å
166	K	83	Confident	73.3	Confident	128 Å²	128	75.1 Å²	75.1	56%	0.557	37%	0.374	S	S	*	.	H	α-helix	trans	-68.7	-45.6	173.8	-74.3	173.2	-179.6	174.5	0	113	Q162 R163 Y164 L169 Q170	Q162-K166 WeakPolarHBondContact O-CG 3.41Å; Q162-K166 PolarHBondContact O-N 3.47Å; Q162-K166 VanDerWaalsContact O-N 3.13Å; R163-K166 CarbonylContact O-C 3.18Å; R163-K166 WeakPolarHBondContact O-CA 3.33Å; R163-K166 WeakPolarHBondContact O-CB 3.39Å; R163-K166 PolarHBondContact O-N 3.4Å; Y164-K166 VanDerWaalsContact C-N 3.33Å; Y164-K166 PolarHBondContact O-N 3.48Å; K166-L169 PolarHBondContact O-N 2.87Å; K166-Q170 WeakPolarHBondContact O-CB 3.31Å; K166-Q170 PolarHBondContact O-N 2.99Å
167	V	84.4	Confident	71.6	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.006	39%	0.386	C	S	.	.	H	α-helix	trans	-62.7	-48.6	179.8	169.8	0	0	0	0	110.1	D124 L128 R163 Y164 L169 Q170 Y171	D124-V167 HydrophobicContact CB-CG2 4.14Å; D124-V167 VanDerWaalsContact OD1-CG2 3.26Å; D124-V167 WeakPolarHBondContact OD1-CG2 3.49Å; L128-V167 HydrophobicContact CD1-CG1 3.92Å; L128-V167 HydrophobicContact CD2-CG1 4.12Å; L128-V167 HydrophobicContact CG-CG1 4.1Å; R163-V167 HydrophobicContact CG-CG2 3.92Å; R163-V167 WeakPolarHBondContact O-CB 3.46Å; R163-V167 VanDerWaalsContact O-CG2 3.31Å; R163-V167 WeakPolarHBondContact O-CG2 3.44Å; R163-V167 PolarHBondContact O-N 3.44Å; Y164-V167 PolarHBondContact O-N 2.94Å; V167-L169 VanDerWaalsContact C-N 3.32Å; V167-L169 PolarHBondContact O-N 2.78Å; V167-Q170 PolarHBondContact O-N 2.79Å; V167-Y171 HydrophobicContact CG1-CD2 3.77Å; V167-Y171 HydrophobicContact CG1-CE2 3.98Å; V167-Y171 WeakPolarHBondContact O-CD2 3.12Å; V167-Y171 PolarHBondContact O-N 3.02Å
168	V	80	Confident	69.7	Low	13 Å²	13	84.5 Å²	84.5	8%	0.079	41%	0.408	C	S	.	.	H	α-helix	trans	-59.5	-42.7	174.4	170.2	0	0	0	0	111.1	Y164 Q170 Y171 W172 P181	Y164-V168 HydrophobicContact CD1-CG2 4.11Å; Y164-V168 HydrophobicContact CD2-CG2 4.28Å; Y164-V168 HydrophobicContact CE1-CG2 3.64Å; Y164-V168 HydrophobicContact CE2-CG2 3.83Å; Y164-V168 HydrophobicContact CG-CG2 4.4Å; Y164-V168 VanDerWaalsContact CZ-CG2 3.48Å; Y164-V168 WeakPolarHBondContact O-CB 3.32Å; Y164-V168 WeakPolarHBondContact O-CG2 3.35Å; Y164-V168 PolarHBondContact O-N 3.5Å; V168-Q170 PolarHBondContact O-N 2.9Å; V168-Y171 PolarHBondContact O-N 2.75Å; V168-W172 HydrophobicContact CG1-CG 4.37Å; V168-W172 WeakPolarHBondContact O-CB 3.44Å; V168-W172 PolarHBondContact O-N 3.5Å; V168-W172 VanDerWaalsContact O-N 3.16Å; V168-P181 HydrophobicContact CG1-CG 4.15Å
169	L	66.7	Low	67.7	Low	59 Å²	59	82.9 Å²	82.9	31%	0.309	40%	0.4	S	S	.	.	H	α-helix	trans	-66.5	-20.3	175.6	-75.1	171.4	0	0	0	114.2	E165 K166 V167	E165-L169 VanDerWaalsContact O-CB 3.31Å; E165-L169 WeakPolarHBondContact O-CB 3.15Å; E165-L169 WeakPolarHBondContact O-CD1 3.31Å; E165-L169 WeakPolarHBondContact O-CG 3.43Å; E165-L169 PolarHBondContact O-N 2.75Å; E165-L169 VanDerWaalsContact O-N 3.09Å; K166-L169 PolarHBondContact O-N 2.87Å; V167-L169 VanDerWaalsContact C-N 3.32Å; V167-L169 PolarHBondContact O-N 2.78Å
170	Q	67.7	Low	65.9	Low	148 Å²	148	82.6 Å²	82.6	69%	0.692	39%	0.394	S	S	*	.	H	α-helix	trans	-88.8	-33.4	177.7	-174.5	168.6	-0.4	0	0	112.9	K166 V167 V168	K166-Q170 WeakPolarHBondContact O-CB 3.31Å; K166-Q170 PolarHBondContact O-N 2.99Å; V167-Q170 PolarHBondContact O-N 2.79Å; V168-Q170 PolarHBondContact O-N 2.9Å
171	Y	60	Low	63.9	Low	156 Å²	156	84.5 Å²	84.5	61%	0.612	41%	0.406	S	S	*	.	H	α-helix	trans	-90.4	-7.8	179.4	-76.9	-78	0	0	0	114.6	V167 V168	V167-Y171 HydrophobicContact CG1-CD2 3.77Å; V167-Y171 HydrophobicContact CG1-CE2 3.98Å; V167-Y171 WeakPolarHBondContact O-CD2 3.12Å; V167-Y171 PolarHBondContact O-N 3.02Å; V168-Y171 PolarHBondContact O-N 2.75Å
172	W	51	Low	61.8	Low	98 Å²	98	83.5 Å²	83.5	37%	0.371	41%	0.406	S	S	.	.	S	Bend	trans	-102.2	113.5	179.5	-82.3	70.9	0	0	0	113	V168 N179	V168-W172 HydrophobicContact CG1-CG 4.37Å; V168-W172 WeakPolarHBondContact O-CB 3.44Å; V168-W172 PolarHBondContact O-N 3.5Å; V168-W172 VanDerWaalsContact O-N 3.16Å; W172-N179 HydrophobicContact CH2-CB 3.95Å; W172-N179 VanDerWaalsContact CH2-O 3.29Å; W172-N179 WeakPolarHBondContact CH2-O 3.26Å; W172-N179 HydrophobicContact CZ3-CB 3.56Å; W172-N179 WeakPolarHBondContact CZ3-O 3.36Å
173	P	47.3	Very low	59.9	Low	90 Å²	90	81.1 Å²	81.1	58%	0.584	40%	0.399	S	S	*	.			trans	-56.6	137.8	175.9	-25.9	35.3	0	0	0	112.9	N175 N176	P173-N175 PolarHBondContact O-N 3.3Å; P173-N175 VanDerWaalsContact O-N 3.14Å; P173-N176 PolarHBondContact O-N 3.13Å
174	T	51.6	Low	57.7	Low	107 Å²	107	79 Å²	79	66%	0.656	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.8	-171.8	43.3	0	0	0	0	115.3
175	N	45.5	Very low	55.4	Low	145 Å²	145	81.2 Å²	81.2	78%	0.775	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-30.4	-179.4	-72.5	11.4	0	0	0	113.1	P173 Q177	P173-N175 PolarHBondContact O-N 3.3Å; P173-N175 VanDerWaalsContact O-N 3.14Å; N175-Q177 PolarHBondContact O-N 2.95Å; N175-Q177 VanDerWaalsContact O-N 3.1Å
176	N	43.6	Very low	53.4	Low	94 Å²	94	85.5 Å²	85.5	50%	0.503	43%	0.429	S	S	.	.			trans	-93.7	62.8	-170.1	-69	6.7	0	0	0	111.9	P173 E178 N179	P173-N176 PolarHBondContact O-N 3.13Å; N176-E178 PolarHBondContact O-N 3.39Å; N176-N179 PolarHBondContact O-N 3.32Å
177	Q	48.4	Very low	51.2	Low	148 Å²	148	83.5 Å²	83.5	69%	0.692	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-59	-34.1	179.9	-62.5	-169.2	10.4	0	0	113.1	N175 N179 R180	N175-Q177 PolarHBondContact O-N 2.95Å; N175-Q177 VanDerWaalsContact O-N 3.1Å; Q177-N179 PolarHBondContact O-N 3.23Å; Q177-N179 VanDerWaalsContact O-N 3.16Å; Q177-R180 PolarHBondContact O-N 2.85Å
178	E	43.9	Very low	48.9	Very low	150 Å²	150	89.6 Å²	89.6	70%	0.701	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-64.5	-18.9	-174.2	-55.7	-167.3	153.4	0	0	114.8	N176 W542	N176-E178 PolarHBondContact O-N 3.39Å; E178-W542 WeakPolarHBondContact O-CZ2 3.4Å
179	N	41.5	Very low	46.7	Very low	74 Å²	74	93.9 Å²	93.9	40%	0.396	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-110.5	8.1	-174.8	-73.6	-41.1	0	0	0	113.2	W172 N176 Q177	W172-N179 HydrophobicContact CH2-CB 3.95Å; W172-N179 VanDerWaalsContact CH2-O 3.29Å; W172-N179 WeakPolarHBondContact CH2-O 3.26Å; W172-N179 HydrophobicContact CZ3-CB 3.56Å; W172-N179 WeakPolarHBondContact CZ3-O 3.36Å; N176-N179 PolarHBondContact O-N 3.32Å; Q177-N179 PolarHBondContact O-N 3.23Å; Q177-N179 VanDerWaalsContact O-N 3.16Å
180	R	46.3	Very low	45.2	Very low	56 Å²	56	94 Å²	94	21%	0.211	47%	0.472	C	S	.	.			trans	-69.1	137.8	177.5	-88.4	-168.2	174	-178.3	1.7	112.3	Q177 L182	Q177-R180 PolarHBondContact O-N 2.85Å; R180-L182 PolarHBondContact O-N 2.91Å
181	P	47.3	Very low	43.7	Very low	40 Å²	40	92 Å²	92	26%	0.26	47%	0.465	S	S	.	.			trans	-64.4	130.8	170.9	27.1	-33.5	0	0	0	110.6	V168 S183 S184	V168-P181 HydrophobicContact CG1-CG 4.15Å; P181-S183 PolarHBondContact O-N 3.24Å; P181-S184 WeakPolarHBondContact O-CB 3.42Å; P181-S184 PolarHBondContact O-N 3.23Å; P181-S184 PolarHBondContact O-OG 3Å
182	L	44.9	Very low	42.6	Very low	42 Å²	42	89.6 Å²	89.6	22%	0.22	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.5	-173.8	-76.6	167.9	0	0	0	114.7	R180 S184 L185 L186 W542 N543	R180-L182 PolarHBondContact O-N 2.91Å; L182-S184 PolarHBondContact O-N 2.96Å; L182-L185 HydrophobicContact CD2-CD1 4.38Å; L182-L185 PolarHBondContact O-N 3.04Å; L182-L185 VanDerWaalsContact O-N 3.09Å; L182-L186 PolarHBondContact O-N 2.91Å; L182-W542 HydrophobicContact CD2-CE3 3.65Å; L182-W542 HydrophobicContact CD2-CZ3 3.62Å; L182-N543 WeakPolarHBondContact CD1-ND2 3.44Å
183	S	44.9	Very low	41.6	Very low	46 Å²	46	88.2 Å²	88.2	32%	0.322	47%	0.472	S	S	.	.	H	α-helix	trans	-52.5	-39.4	172.5	47.4	0	0	0	0	112.6	P181 L185	P181-S183 PolarHBondContact O-N 3.24Å; S183-L185 VanDerWaalsContact C-N 3.3Å; S183-L185 PolarHBondContact O-N 3.28Å
184	S	42.1	Very low	40.9	Very low	10 Å²	10	94.1 Å²	94.1	7%	0.07	48%	0.482	C	S	.	.	H	α-helix	trans	-69.5	-23.2	179.9	69.5	0	0	0	0	114.3	P181 L182	P181-S184 WeakPolarHBondContact O-CB 3.42Å; P181-S184 PolarHBondContact O-N 3.23Å; P181-S184 PolarHBondContact O-OG 3Å; L182-S184 PolarHBondContact O-N 2.96Å
185	L	41.6	Very low	39.9	Very low	67 Å²	67	93.2 Å²	93.2	35%	0.351	48%	0.481	S	S	.	.	H	α-helix	trans	-88.9	-40.4	-179.3	-67.3	173.4	0	0	0	111.6	L182 S183 F187 W542	L182-L185 HydrophobicContact CD2-CD1 4.38Å; L182-L185 PolarHBondContact O-N 3.04Å; L182-L185 VanDerWaalsContact O-N 3.09Å; S183-L185 VanDerWaalsContact C-N 3.3Å; S183-L185 PolarHBondContact O-N 3.28Å; L185-F187 VanDerWaalsContact C-N 3.32Å; L185-F187 PolarHBondContact O-N 3.36Å; L185-W542 HydrophobicContact CD1-CH2 4.14Å; L185-W542 HydrophobicContact CD1-CZ3 3.88Å
186	L	40.9	Very low	39.2	Very low	123 Å²	123	91.8 Å²	91.8	64%	0.644	47%	0.473	S	S	*	.	H	α-helix	trans	-64.8	-33.3	179.9	-67.2	172.7	0	0	0	112.9	L182	L182-L186 PolarHBondContact O-N 2.91Å
187	F	35.5	Very low	38.5	Very low	86 Å²	86	92 Å²	92	38%	0.377	48%	0.482	S	S	.	.	H	α-helix	trans	-89.1	-24.1	-175.4	-85.4	-102.6	0	0	0	115	R161 L185 N189 S190 L191	R161-F187 VanDerWaalsContact NH2-CG 3.25Å; R161-F187 VanDerWaalsContact NH2-CZ 3.3Å; L185-F187 VanDerWaalsContact C-N 3.32Å; L185-F187 PolarHBondContact O-N 3.36Å; F187-N189 VanDerWaalsContact C-N 3.33Å; F187-N189 PolarHBondContact O-N 3.19Å; F187-S190 PolarHBondContact O-N 2.88Å; F187-L191 PolarHBondContact O-N 2.94Å
188	R	36.2	Very low	37.8	Very low	130 Å²	130	90.2 Å²	90.2	49%	0.491	48%	0.483	S	S	.	.	H	α-helix	trans	-63	-39.4	173	-87.1	-171.2	170	-121	-2.4	112.3	S190 L191 L192	R188-S190 PolarHBondContact O-N 3.39Å; R188-L191 PolarHBondContact O-N 3.36Å; R188-L192 WeakPolarHBondContact O-CD1 3.47Å; R188-L192 PolarHBondContact O-N 3.39Å
189	N	34	Very low	37.4	Very low	103 Å²	103	92.4 Å²	92.4	55%	0.551	49%	0.49	S	S	*	.	H	α-helix	trans	-65.6	-25.3	177.6	-68.1	-9.6	0	0	0	112.9	F187	F187-N189 VanDerWaalsContact C-N 3.33Å; F187-N189 PolarHBondContact O-N 3.19Å
190	S	35.4	Very low	36.9	Very low	61 Å²	61	96.2 Å²	96.2	43%	0.427	51%	0.511	S	S	.	.	H	α-helix	trans	-82.7	-45.2	175.7	-171.1	0	0	0	0	112.1	F187 R188 L192 A193	F187-S190 PolarHBondContact O-N 2.88Å; R188-S190 PolarHBondContact O-N 3.39Å; S190-L192 PolarHBondContact O-N 3.43Å; S190-A193 WeakPolarHBondContact O-CB 3.38Å; S190-A193 PolarHBondContact O-N 3.14Å; S190-A193 VanDerWaalsContact O-N 3.15Å
191	L	36.1	Very low	36.3	Very low	107 Å²	107	100.8 Å²	100.8	56%	0.56	54%	0.539	S	S	*	.	H	α-helix	trans	-67.9	-33.4	-177.8	-76	169.5	0	0	0	114.1	F187 R188 A193 W194	F187-L191 PolarHBondContact O-N 2.94Å; R188-L191 PolarHBondContact O-N 3.36Å; L191-A193 PolarHBondContact O-N 2.93Å; L191-W194 PolarHBondContact O-N 3.13Å
192	L	36.3	Very low	35.3	Very low	105 Å²	105	102.1 Å²	102.1	55%	0.55	56%	0.561	S	S	.	*	H	α-helix	trans	-71	-13.3	174.9	-85	92.5	0	0	0	113.7	R188 S190 N196	R188-L192 WeakPolarHBondContact O-CD1 3.47Å; R188-L192 PolarHBondContact O-N 3.39Å; S190-L192 PolarHBondContact O-N 3.43Å; L192-N196 PolarHBondContact O-ND2 3.24Å
193	A	31.4	Very low	34.9	Very low	68 Å²	68	106.6 Å²	106.6	56%	0.562	59%	0.59	S	S	*	*	H	α-helix	trans	-75.1	-31.5	175.3	0	0	0	0	0	112.5	S190 L191	S190-A193 WeakPolarHBondContact O-CB 3.38Å; S190-A193 PolarHBondContact O-N 3.14Å; S190-A193 VanDerWaalsContact O-N 3.15Å; L191-A193 PolarHBondContact O-N 2.93Å
194	W	31.5	Very low	34.3	Very low	214 Å²	214	112.5 Å²	112.5	81%	0.811	61%	0.612	S	S	*	*	H	α-helix	trans	-88.1	-18.1	-177.5	-78.4	-25	0	0	0	115.1	L191 N196	L191-W194 PolarHBondContact O-N 3.13Å; W194-N196 VanDerWaalsContact C-N 3.33Å; W194-N196 PolarHBondContact O-N 2.84Å
195	S	30.9	Very low	34	Very low	89 Å²	89	119.7 Å²	119.7	62%	0.622	65%	0.649	S	S	*	*	S	Bend	trans	-82.5	-3.5	-179.2	70.2	0	0	0	0	115.1
196	N	31.5	Very low	33.4	Very low	115 Å²	115	124 Å²	124	62%	0.615	67%	0.673	S	S	*	*			trans	-119.1	36.7	-168.1	-69.8	-61.9	0	0	0	113.7	L192 W194 P198	L192-N196 PolarHBondContact O-ND2 3.24Å; W194-N196 VanDerWaalsContact C-N 3.33Å; W194-N196 PolarHBondContact O-N 2.84Å; N196-P198 WeakPolarHBondContact O-CD 3.21Å
197	S	27.8	Very low	33.2	Very low	99 Å²	99	125 Å²	125	69%	0.692	68%	0.684	S	S	*	*			trans	-104.3	104.2	171	-164.2	0	0	0	0	110.3	K199	S197-K199 PolarHBondContact O-N 3.46Å
198	P	34.6	Very low	32.9	Very low	109 Å²	109	128.9 Å²	128.9	71%	0.708	71%	0.709	S	S	*	*			trans	-71.5	119.4	-179.5	28.2	-33.1	0	0	0	110.8	N196 N200	N196-P198 WeakPolarHBondContact O-CD 3.21Å; P198-N200 PolarHBondContact O-N 3.43Å; P198-N200 VanDerWaalsContact O-N 3.07Å
199	K	34.5	Very low	32.8	Very low	196 Å²	196	128.3 Å²	128.3	85%	0.852	73%	0.725	S	S	*	*			trans	-70.7	98.8	170.3	-73.8	-174.2	176.1	-177.4	0	109.6	S197 N201	S197-K199 PolarHBondContact O-N 3.46Å; K199-N201 VanDerWaalsContact C-N 3.34Å; K199-N201 PolarHBondContact O-N 2.89Å; K199-N201 VanDerWaalsContact O-N 3.08Å
200	N	30.7	Very low	32.7	Very low	155 Å²	155	131 Å²	131	83%	0.829	74%	0.739	S	S	*	*			trans	-84.4	73.5	-179.5	-161.5	25.1	0	0	0	111.6	P198 G202	P198-N200 PolarHBondContact O-N 3.43Å; P198-N200 VanDerWaalsContact O-N 3.07Å; N200-G202 PolarHBondContact O-N 3.47Å
201	N	34.4	Very low	32.7	Very low	151 Å²	151	135.8 Å²	135.8	81%	0.807	76%	0.76	S	S	*	*			trans	-88.5	85.8	171.7	-82.2	33.3	0	0	0	109.8	K199 T203	K199-N201 VanDerWaalsContact C-N 3.34Å; K199-N201 PolarHBondContact O-N 2.89Å; K199-N201 VanDerWaalsContact O-N 3.08Å; N201-T203 PolarHBondContact O-N 2.94Å
202	G	27	Very low	32.4	Very low	69 Å²	69	139.1 Å²	139.1	71%	0.711	77%	0.773	S	S	*	*			trans	-85.7	103.2	172.9	0	0	0	0	0	112.2	N200	N200-G202 PolarHBondContact O-N 3.47Å
203	T	35	Very low	31.9	Very low	135 Å²	135	139.1 Å²	139.1	83%	0.828	78%	0.781	S	S	*	*			trans	-136.4	134.1	160.2	-45.4	0	0	0	0	108.6	N201	N201-T203 PolarHBondContact O-N 2.94Å
204	H	33.4	Very low	31.9	Very low	171 Å²	171	143.1 Å²	143.1	79%	0.792	79%	0.792	S	S	*	*			trans	-72.1	151.6	-178	-65.5	-113.7	0	0	0	111.9
205	N	35.8	Very low	31.7	Very low	160 Å²	160	138.5 Å²	138.5	86%	0.856	79%	0.787	S	S	*	*				-171.6	137	111.9	-88.7	-18.8	0	0	0	111.5
206	N	29.3	Very low	31.4	Very low	158 Å²	158	139.7 Å²	139.7	85%	0.845	80%	0.795	S	S	*	*			trans	-92.5	138.2	172.2	-71.2	-23.6	0	0	0	110.1
207	T	34.9	Very low	31.4	Very low	144 Å²	144	142.3 Å²	142.3	88%	0.883	80%	0.801	S	S	*	*			trans	-160.6	136.1	141.1	17.5	0	0	0	0	109.7
208	N	29.7	Very low	31.4	Very low	168 Å²	168	145.1 Å²	145.1	90%	0.898	81%	0.808	S	S	*	*			trans	-89.9	137.6	175.6	-67	-26.6	0	0	0	111.1
209	S	35.1	Very low	31.1	Very low	118 Å²	118	147.2 Å²	147.2	83%	0.825	81%	0.814	S	S	*	*			trans	-165.6	139.7	141.4	51.5	0	0	0	0	109.7
210	N	32.4	Very low	30.8	Very low	159 Å²	159	142.2 Å²	142.2	85%	0.85	81%	0.809	S	S	*	*			trans	-71.6	147	176.9	-56	-49.8	0	0	0	110.8
211	D	33.6	Very low	30.5	Very low	161 Å²	161	145.3 Å²	145.3	86%	0.861	81%	0.809	S	S	*	*				-157.5	165.5	123.4	-121.8	-34.1	0	0	0	112.5
212	Q	30.8	Very low	30.1	Very low	177 Å²	177	142.3 Å²	142.3	83%	0.827	80%	0.798	S	S	*	*			trans	-90.3	141	-168.6	-55.6	-179.1	15.9	0	0	113.8
213	S	26.4	Very low	30	Very low	105 Å²	105	144.3 Å²	144.3	73%	0.734	80%	0.796	S	S	*	*				161.2	169.8	125.2	59.3	0	0	0	0	114.5
214	I	29.7	Very low	29.8	Very low	153 Å²	153	147.4 Å²	147.4	79%	0.785	79%	0.794	S	S	*	*			trans	78.3	115.5	156.8	-67.3	164.4	0	0	0	119.3
215	V	28.8	Very low	29.5	Very low	117 Å²	117	146.6 Å²	146.6	71%	0.709	80%	0.795	S	S	*	*			trans	72.2	108.1	155.4	173.7	0	0	0	0	119.9	K217	V215-K217 HydrophobicContact CG1-CG 4.42Å
216	S	25	Very low	29.1	Very low	113 Å²	113	144.8 Å²	144.8	79%	0.79	78%	0.784	S	S	*	*			trans	-68.8	123.5	166.7	-44.2	0	0	0	0	113
217	K	30.5	Very low	29.1	Very low	171 Å²	171	142.8 Å²	142.8	74%	0.743	78%	0.779	S	S	*	*			trans	-137.2	71.6	160.7	-79.5	-171.6	177.5	173	0	111.3	V215 N219	V215-K217 HydrophobicContact CG1-CG 4.42Å; K217-N219 VanDerWaalsContact C-N 3.26Å; K217-N219 PolarHBondContact O-N 3.34Å
218	N	28.8	Very low	28.7	Very low	157 Å²	157	141 Å²	141	84%	0.84	76%	0.764	S	S	*	*			trans	-71.2	81.9	171.7	-74.2	-1.5	0	0	0	110.4	A220	N218-A220 PolarHBondContact O-N 2.96Å
219	N	28.2	Very low	28.6	Very low	153 Å²	153	138.2 Å²	138.2	82%	0.818	76%	0.757	S	S	*	*			trans	-70	76.4	168.9	-79.2	-9.9	0	0	0	109.7	K217 R221	K217-N219 VanDerWaalsContact C-N 3.26Å; K217-N219 PolarHBondContact O-N 3.34Å; N219-R221 PolarHBondContact O-N 3.27Å; N219-R221 VanDerWaalsContact O-N 3.14Å
220	A	28.5	Very low	28.4	Very low	91 Å²	91	137.3 Å²	137.3	75%	0.752	75%	0.751	S	S	*	*			trans	-59.9	115.9	177.3	0	0	0	0	0	110.3	N218 P222	N218-A220 PolarHBondContact O-N 2.96Å; A220-P222 WeakPolarHBondContact O-CD 3.35Å
221	R	23.4	Very low	28.1	Very low	221 Å²	221	138.8 Å²	138.8	83%	0.834	76%	0.758	S	S	*	*			trans	-62.8	121.3	176	-171.4	-173.4	-165.5	-169.9	5.6	108.8	N219 T223	N219-R221 PolarHBondContact O-N 3.27Å; N219-R221 VanDerWaalsContact O-N 3.14Å; R221-T223 PolarHBondContact O-N 3.06Å
222	P	26.4	Very low	27.9	Very low	88 Å²	88	140.3 Å²	140.3	57%	0.571	76%	0.757	S	S	*	*			trans	-76	90.9	-178.7	30.3	-34.5	0	0	0	110.5	A220 Y224	A220-P222 WeakPolarHBondContact O-CD 3.35Å; P222-Y224 HydrophobicContact CB-CD2 4.25Å; P222-Y224 HydrophobicContact CB-CE2 3.66Å; P222-Y224 HydrophobicContact CG-CE2 4.14Å; P222-Y224 PolarHBondContact O-N 2.97Å; P222-Y224 VanDerWaalsContact O-N 3.11Å
223	T	25.5	Very low	27.6	Very low	110 Å²	110	137.7 Å²	137.7	68%	0.675	76%	0.759	S	S	*	*			trans	-73	93.6	170.2	-58.3	0	0	0	0	109.1	R221 L225	R221-T223 PolarHBondContact O-N 3.06Å; T223-L225 PolarHBondContact O-N 3.38Å
224	Y	29	Very low	27.7	Very low	201 Å²	201	138.3 Å²	138.3	79%	0.788	76%	0.763	S	S	*	*			trans	-80.5	95.1	173.5	-68.2	-67.9	0	0	0	110.6	P222	P222-Y224 HydrophobicContact CB-CD2 4.25Å; P222-Y224 HydrophobicContact CB-CE2 3.66Å; P222-Y224 HydrophobicContact CG-CE2 4.14Å; P222-Y224 PolarHBondContact O-N 2.97Å; P222-Y224 VanDerWaalsContact O-N 3.11Å
225	L	27.8	Very low	27.6	Very low	154 Å²	154	139.3 Å²	139.3	81%	0.806	76%	0.764	S	S	*	*			trans	-62.3	135	164.8	-70.3	166.5	0	0	0	109.7	T223	T223-L225 PolarHBondContact O-N 3.38Å
226	I	28.4	Very low	27.5	Very low	121 Å²	121	139.9 Å²	139.9	62%	0.621	76%	0.763	S	S	*	*			trans	-99.5	114.4	171.2	-58.7	175.1	0	0	0	107.4	L228	I226-L228 HydrophobicContact CG2-CD1 4.2Å; I226-L228 PolarHBondContact O-N 3.41Å
227	P	29	Very low	27.7	Very low	116 Å²	116	139 Å²	139	75%	0.753	76%	0.757	S	S	*	*			trans	-71.2	116.1	176	-17.2	31.8	0	0	0	111.2	S229	P227-S229 PolarHBondContact O-N 3.02Å
228	L	25.6	Very low	27.6	Very low	107 Å²	107	136.7 Å²	136.7	56%	0.56	76%	0.757	S	S	*	*			trans	-90.7	90.9	164.2	-88.3	74.5	0	0	0	109.9	I226 S230 P484	I226-L228 HydrophobicContact CG2-CD1 4.2Å; I226-L228 PolarHBondContact O-N 3.41Å; L228-S230 PolarHBondContact O-OG 2.99Å; L228-P484 HydrophobicContact CD1-CG 4.13Å; L228-P484 HydrophobicContact CD2-CG 4.42Å
229	S	28.5	Very low	27.7	Very low	109 Å²	109	135 Å²	135	76%	0.762	75%	0.753	S	S	*	*			trans	-103.7	80.7	159.7	56.4	0	0	0	0	108.1	P227	P227-S229 PolarHBondContact O-N 3.02Å
230	S	30.6	Very low	27.6	Very low	100 Å²	100	133 Å²	133	70%	0.699	75%	0.75	S	S	*	*				64.3	93.7	89	-66.3	0	0	0	0	112.5	L228 K232	L228-S230 PolarHBondContact O-OG 2.99Å; S230-K232 PolarHBondContact O-N 3.02Å; S230-K232 VanDerWaalsContact O-N 3.12Å
231	L	25.8	Very low	27.6	Very low	190 Å²	190	132.1 Å²	132.1	100%	0.995	75%	0.751	S	S	*	*			trans	-57.6	109	156.1	-79.3	156.7	0	0	0	108.2
232	K	29.4	Very low	27.8	Very low	193 Å²	193	128.5 Å²	128.5	84%	0.839	75%	0.748	S	S	*	*			trans	-146	118.8	169.9	-145.5	159.7	-172	172.9	0	110	S230	S230-K232 PolarHBondContact O-N 3.02Å; S230-K232 VanDerWaalsContact O-N 3.12Å
233	S	25.3	Very low	27.8	Very low	122 Å²	122	136.7 Å²	136.7	85%	0.853	77%	0.768	S	S	*	*			trans	-76.5	130.7	177.5	50.9	0	0	0	0	110.7
234	S	27.9	Very low	27.9	Very low	118 Å²	118	139.8 Å²	139.8	83%	0.825	77%	0.772	S	S	*	*			trans	-146.6	141	159.7	51.7	0	0	0	0	109.1
235	H	27.2	Very low	27.9	Very low	173 Å²	173	138.5 Å²	138.5	80%	0.801	78%	0.777	S	S	*	*			trans	-86.2	-177.7	-171.2	-134.1	-107.3	0	0	0	111.7
236	D	27.9	Very low	27.9	Very low	130 Å²	130	141 Å²	141	70%	0.695	78%	0.775	S	S	*	*			trans	76.4	99.6	153.1	-56.8	-26.3	0	0	0	121.3
237	S	28.6	Very low	27.7	Very low	95 Å²	95	143.9 Å²	143.9	66%	0.664	79%	0.791	S	S	*	*				68.7	121	120.1	72.2	0	0	0	0	122
238	T	27.7	Very low	27.8	Very low	122 Å²	122	144.4 Å²	144.4	75%	0.748	79%	0.792	S	S	*	*			trans	50	125.4	135.4	61.3	0	0	0	0	118.9
239	T	31.3	Very low	28.1	Very low	122 Å²	122	147.9 Å²	147.9	75%	0.748	81%	0.806	S	S	*	*				-170.3	142.6	65.7	-61.7	0	0	0	0	112.3
240	S	26.7	Very low	28.1	Very low	109 Å²	109	148.8 Å²	148.8	76%	0.762	81%	0.809	S	S	*	*			trans	23.3	129.3	164.4	72.5	0	0	0	0	122.5
241	G	28.5	Very low	28.3	Very low	74 Å²	74	151.4 Å²	151.4	76%	0.763	81%	0.813	S	S	*	*			trans	-164.1	63	167.3	0	0	0	0	0	114.3	W243	G241-W243 PolarHBondContact O-N 3.35Å
242	N	26.6	Very low	28.7	Very low	144 Å²	144	150.8 Å²	150.8	77%	0.77	81%	0.805	S	S	*	*			trans	-69.8	121.5	-173	-74.8	-59	0	0	0	114.4
243	W	27.2	Very low	28.7	Very low	261 Å²	261	149.6 Å²	149.6	99%	0.989	80%	0.802	S	S	*	*			trans	-134.7	133.6	143.5	-76.5	83.8	0	0	0	109.1	G241	G241-W243 PolarHBondContact O-N 3.35Å
244	K	26.1	Very low	29.2	Very low	175 Å²	175	151.9 Å²	151.9	76%	0.761	80%	0.799	S	S	*	*			trans	-142.1	107.8	-160.6	-176.2	176	-175	170.8	0	111.3
245	I	29.7	Very low	29.4	Very low	174 Å²	174	152.3 Å²	152.3	89%	0.892	79%	0.792	S	S	*	*			trans	-106	131.4	174	-61.1	179.9	0	0	0	108.7
246	R	27.9	Very low	29.7	Very low	207 Å²	207	150 Å²	150	78%	0.781	80%	0.795	S	S	*	*			trans	-90.8	143.8	-175.1	-60.4	-174.7	-175.3	-148	5.7	111.5
247	L	24.3	Very low	29.9	Very low	181 Å²	181	146.8 Å²	146.8	95%	0.948	79%	0.793	S	S	*	*			trans	-85	134	154.9	-79.8	150.7	0	0	0	108.8
248	T	31	Very low	30	Very low	126 Å²	126	151.7 Å²	151.7	77%	0.773	80%	0.803	S	S	*	*			trans	-141.6	136	169.2	45.7	0	0	0	0	109.3
249	Q	31.5	Very low	30.3	Very low	181 Å²	181	150.5 Å²	150.5	85%	0.846	80%	0.799	S	S	*	*			trans	-89	156.4	-177.1	-65.2	-174.3	-3.7	0	0	112.1
250	P	29.4	Very low	30.3	Very low	128 Å²	128	152.4 Å²	152.4	83%	0.831	80%	0.799	S	S	*	*			trans	-81.9	141.8	170.9	33.6	-33.4	0	0	0	111.7
251	I	33.6	Very low	30.6	Very low	154 Å²	154	152.2 Å²	152.2	79%	0.79	80%	0.798	S	S	*	*			trans	-131.6	128.1	170.7	-63.3	-180	0	0	0	108.8
252	H	34	Very low	30.9	Very low	178 Å²	178	151.7 Å²	151.7	82%	0.824	79%	0.793	S	S	*	*			trans	23.3	144.3	162.4	-85.7	-103.9	0	0	0	123.8
253	H	29.7	Very low	31.3	Very low	168 Å²	168	152.8 Å²	152.8	78%	0.778	80%	0.798	S	S	*	*			trans	-51.3	148.6	162.2	-72.7	-92	0	0	0	113.8
254	H	35.9	Very low	31.6	Very low	170 Å²	170	145.6 Å²	145.6	79%	0.787	79%	0.788	S	S	*	*				-164.2	179.2	101.4	-103.8	-70.5	0	0	0	113
255	D	33.6	Very low	31.8	Very low	126 Å²	126	145 Å²	145	67%	0.674	79%	0.793	S	S	*	*			trans	-74.6	155.7	-149.2	-66	-90.2	0	0	0	120.5
256	S	32.5	Very low	32	Very low	125 Å²	125	142.3 Å²	142.3	87%	0.874	79%	0.789	S	S	*	*			trans	75.2	144.4	136.5	71.3	0	0	0	0	122.1
257	G	32.3	Very low	32.3	Very low	63 Å²	63	137.8 Å²	137.8	65%	0.649	78%	0.784	S	S	*	*			trans	138.9	107.4	149.8	0	0	0	0	0	116.8
258	F	30.8	Very low	32.8	Very low	198 Å²	198	137.8 Å²	137.8	87%	0.868	78%	0.78	S	S	*	*			trans	37.5	112.9	142.4	-68.4	-87.9	0	0	0	119.5
259	S	32.9	Very low	33	Very low	96 Å²	96	137.4 Å²	137.4	67%	0.671	78%	0.782	S	S	*	*				76.4	152.9	82.1	85.4	0	0	0	0	113.8
260	E	32.4	Very low	33.2	Very low	162 Å²	162	132.5 Å²	132.5	76%	0.757	78%	0.78	S	S	*	*			cis	-160.8	161.3	4.6	-145.4	-169.5	122.1	0	0	112.7
261	S	32.6	Very low	33.4	Very low	106 Å²	106	130.1 Å²	130.1	74%	0.741	78%	0.779	S	S	*	*			trans	54.6	163.7	144.5	67.4	0	0	0	0	124.5
262	G	35.1	Very low	33.5	Very low	63 Å²	63	129.9 Å²	129.9	65%	0.649	78%	0.779	S	S	*	*			trans	116.5	90.6	178.1	0	0	0	0	0	114.5
263	L	34.3	Very low	33.5	Very low	166 Å²	166	128.1 Å²	128.1	87%	0.869	78%	0.776	S	S	*	*				68.7	130.5	68.3	-58.3	176.6	0	0	0	113
264	S	33.9	Very low	33.8	Very low	111 Å²	111	125 Å²	125	78%	0.776	77%	0.773	S	S	*	*			cis	-152.7	177.7	16.6	-84.1	0	0	0	0	114.2
265	N	30.2	Very low	33.9	Very low	162 Å²	162	124.3 Å²	124.3	87%	0.866	77%	0.77	S	S	*	*			trans	-89.7	173.3	-175.6	-55	-62.3	0	0	0	116
266	S	33.8	Very low	34	Very low	117 Å²	117	126.3 Å²	126.3	82%	0.818	78%	0.775	S	S	*	*			trans	136.4	144.1	142.9	-170.7	0	0	0	0	113.4
267	V	33.7	Very low	33.9	Very low	112 Å²	112	124.5 Å²	124.5	68%	0.679	76%	0.762	S	S	*	*			cis	-177	168	-37	127.7	0	0	0	0	107.6
268	Q	36.1	Very low	33.8	Very low	182 Å²	182	128.5 Å²	128.5	85%	0.85	77%	0.768	S	S	*	*			trans	71.2	150	171.5	-77.6	158.2	9.9	0	0	117.9
269	S	35.6	Very low	33.7	Very low	117 Å²	117	128.1 Å²	128.1	82%	0.818	76%	0.761	S	S	*	*			cis	-166	150.6	-19.3	-168.9	0	0	0	0	113.2
270	G	34	Very low	33.4	Very low	79 Å²	79	131.9 Å²	131.9	81%	0.814	76%	0.762	S	S	*	*			trans	92.3	143.2	152.2	0	0	0	0	0	119
271	G	35.4	Very low	33.1	Very low	77 Å²	77	128.6 Å²	128.6	79%	0.794	76%	0.757	S	S	*	*			trans	141	46.2	163.5	0	0	0	0	0	120.4
272	N	34.9	Very low	32.9	Very low	149 Å²	149	129.5 Å²	129.5	80%	0.797	76%	0.757	S	S	*	*			trans	-26.7	141.1	165.7	-54.9	-10.7	0	0	0	115.1
273	N	34.8	Very low	32.5	Very low	142 Å²	142	132.2 Å²	132.2	76%	0.759	76%	0.761	S	S	*	*				-177.7	157.8	55	-116.8	-22	0	0	0	112.6
274	S	35.5	Very low	32.1	Very low	102 Å²	102	129 Å²	129	71%	0.713	75%	0.748	S	S	*	*			trans	47.9	139.4	151.4	58.4	0	0	0	0	121.9
275	Q	37.1	Very low	31.8	Very low	156 Å²	156	129.6 Å²	129.6	73%	0.729	75%	0.748	S	S	*	*			cis	-162.4	147.8	-0.5	-116.7	-178.4	13.6	0	0	109.7
276	Q	35.7	Very low	31.6	Very low	167 Å²	167	126 Å²	126	78%	0.78	74%	0.735	S	S	*	*			trans	50.4	142.3	142.9	-67.6	-178.9	39.5	0	0	121.6
277	S	30	Very low	31.3	Very low	87 Å²	87	127.4 Å²	127.4	61%	0.608	73%	0.732	S	S	*	*			cis	-164.3	129.9	-12	-171	0	0	0	0	110.5
278	L	32.2	Very low	31	Very low	147 Å²	147	126.9 Å²	126.9	77%	0.77	73%	0.733	S	S	*	*			trans	42.4	157.5	143.5	-54.8	177.3	0	0	0	122.4
279	R	27	Very low	30.6	Very low	190 Å²	190	122.2 Å²	122.2	72%	0.717	72%	0.721	S	S	*	*			cis	-179.8	157.6	-45.7	-112	-178.2	176.8	-158.4	-1.5	107.2
280	Y	28.4	Very low	30.3	Very low	175 Å²	175	122.6 Å²	122.6	69%	0.686	71%	0.714	S	S	*	*			trans	25.6	121.9	157	-52.1	-52.1	0	0	0	120.1
281	S	26	Very low	30	Very low	94 Å²	94	125.5 Å²	125.5	66%	0.657	71%	0.71	S	S	*	*				72.9	147	53.6	84.1	0	0	0	0	116.4
282	V	26.8	Very low	29.6	Very low	124 Å²	124	126.5 Å²	126.5	75%	0.752	71%	0.705	S	S	*	*			trans	88.6	113.8	148.8	151.5	0	0	0	0	119
283	V	27.6	Very low	29.2	Very low	120 Å²	120	126.7 Å²	126.7	73%	0.727	71%	0.706	S	S	*	*			trans	73.2	140.6	135.2	166.6	0	0	0	0	119
284	T	26.1	Very low	29	Very low	98 Å²	98	128.2 Å²	128.2	60%	0.601	71%	0.713	S	S	*	*			cis	-164.6	170.3	-15.8	33.9	0	0	0	0	109.5
285	T	26.4	Very low	28.5	Very low	124 Å²	124	127.9 Å²	127.9	76%	0.761	71%	0.711	S	S	*	*			trans	64.4	150.4	142	46.7	0	0	0	0	119.5
286	S	26.6	Very low	27.9	Very low	87 Å²	87	127.2 Å²	127.2	61%	0.608	72%	0.717	S	S	*	*			cis	-174.7	-177.2	-17.7	51.6	0	0	0	0	108.7
287	I	28.2	Very low	27.7	Very low	146 Å²	146	124.5 Å²	124.5	75%	0.749	72%	0.717	S	S	*	*			trans	75.3	112.1	168	-55.9	159	0	0	0	112
288	S	26.1	Very low	27.5	Very low	101 Å²	101	126.3 Å²	126.3	71%	0.706	73%	0.725	S	S	*	*				66.2	140.6	79.4	132.3	0	0	0	0	113.2
289	S	28.2	Very low	27.6	Very low	84 Å²	84	125 Å²	125	59%	0.587	73%	0.725	S	S	*	*			cis	-164.6	-176	4.9	41.7	0	0	0	0	111.6
290	N	29.2	Very low	27.9	Very low	125 Å²	125	121.7 Å²	121.7	67%	0.668	73%	0.725	S	S	*	*			trans	77.6	104.9	150.6	-62.9	-22.3	0	0	0	120.4
291	N	28.1	Very low	27.9	Very low	140 Å²	140	119.5 Å²	119.5	75%	0.749	73%	0.726	S	S	*	*				85.5	144.6	116.1	-64.2	-15.2	0	0	0	122.4
292	S	27.2	Very low	28.1	Very low	98 Å²	98	123.5 Å²	123.5	69%	0.685	74%	0.739	S	S	*	*			trans	88.4	107	146.1	-66.4	0	0	0	0	120.4
293	L	27.3	Very low	28.2	Very low	153 Å²	153	124.3 Å²	124.3	80%	0.801	74%	0.737	S	S	*	*				47.1	112.5	117.4	-55.6	166.9	0	0	0	117.7
294	L	29.4	Very low	28.6	Very low	174 Å²	174	127.6 Å²	127.6	91%	0.911	74%	0.742	S	S	*	*				-161.5	161.6	108.8	-128.2	66.1	0	0	0	113.3
295	S	24.3	Very low	29	Very low	96 Å²	96	129.5 Å²	129.5	67%	0.671	75%	0.748	S	S	*	*			trans	-98.4	-179.8	-165.4	-48.7	0	0	0	0	114
296	T	25.6	Very low	29.2	Very low	141 Å²	141	127 Å²	127	87%	0.865	75%	0.747	S	S	*	*			trans	77.4	155.6	168.5	80.9	0	0	0	0	115.2
297	S	30.6	Very low	29.7	Very low	110 Å²	110	128.3 Å²	128.3	77%	0.769	75%	0.754	S	S	*	*			cis	-144.1	173.4	10.1	63.1	0	0	0	0	113
298	T	27.3	Very low	30.1	Very low	126 Å²	126	128.2 Å²	128.2	77%	0.773	75%	0.754	S	S	*	*			trans	-125.7	143.7	172	49.3	0	0	0	0	111.3
299	P	33.2	Very low	30.6	Very low	120 Å²	120	130.6 Å²	130.6	78%	0.779	76%	0.758	S	S	*	*			trans	-103.8	127.3	151.4	33	-23.7	0	0	0	109.9
300	V	33.9	Very low	31	Very low	120 Å²	120	131.3 Å²	131.3	73%	0.727	76%	0.761	S	S	*	*				91.7	104.8	54.4	170.1	0	0	0	0	112.9
301	D	27.4	Very low	31.2	Very low	129 Å²	129	131.1 Å²	131.1	69%	0.69	77%	0.769	S	S	*	*			trans	33.2	133.4	146	-52.6	-33.3	0	0	0	123.5
302	L	31.1	Very low	31.7	Very low	178 Å²	178	129.7 Å²	129.7	93%	0.932	77%	0.768	S	S	*	*			trans	-143.2	104.9	142.7	-106.4	169.8	0	0	0	109.7
303	I	28.9	Very low	32.1	Very low	140 Å²	140	132.1 Å²	132.1	72%	0.718	77%	0.773	S	S	*	*			trans	-98.9	140.2	-178.8	-64.2	170.7	0	0	0	110.1
304	K	35.1	Very low	32.2	Very low	189 Å²	189	133.4 Å²	133.4	82%	0.822	77%	0.772	S	S	*	*			trans	-151.8	92	162.2	-151.9	167.8	-173.2	175.3	0	115.3
305	N	34.8	Very low	32.4	Very low	138 Å²	138	130.5 Å²	130.5	74%	0.738	77%	0.766	S	S	*	*			trans	58.6	126.5	139.9	-51.3	-1.6	0	0	0	120.9
306	G	30.8	Very low	32.8	Very low	72 Å²	72	133.2 Å²	133.2	74%	0.742	77%	0.768	S	S	*	*			trans	-84.9	-139.1	160.4	0	0	0	0	0	112.5
307	P	37.8	Very low	33	Very low	114 Å²	114	135.2 Å²	135.2	74%	0.74	77%	0.765	S	S	*	*			cis	-144.8	-159.6	23.9	34.5	-8.7	0	0	0	116.1
308	L	35	Very low	33.1	Very low	144 Å²	144	135 Å²	135	75%	0.754	76%	0.763	S	S	*	*			trans	83	112.9	165.9	-45.8	-178.5	0	0	0	116.6
309	L	37.6	Very low	33.1	Very low	151 Å²	151	136.7 Å²	136.7	79%	0.791	77%	0.767	S	S	*	*				84.1	148.5	59	-90	92.8	0	0	0	114.4
310	P	37	Very low	33.1	Very low	100 Å²	100	136.4 Å²	136.4	65%	0.649	77%	0.765	S	S	*	*			cis	-148.1	166.2	-33.4	41.3	-23.5	0	0	0	117.8
311	S	32.1	Very low	32.8	Very low	121 Å²	121	135.5 Å²	135.5	85%	0.846	76%	0.764	S	S	*	*			trans	71.7	161.5	139.8	-69.3	0	0	0	0	124.8
312	P	38.7	Very low	33	Very low	110 Å²	110	135.3 Å²	135.3	71%	0.714	77%	0.773	S	S	*	*			trans	-133.2	172.8	-171.1	44.3	-27.7	0	0	0	117.2
313	D	35.8	Very low	32.8	Very low	148 Å²	148	132 Å²	132	79%	0.791	76%	0.764	S	S	*	*			trans	-136.9	145.1	157.3	-83.5	-53.6	0	0	0	109.2
314	K	30.7	Very low	32.8	Very low	180 Å²	180	130.3 Å²	130.3	78%	0.783	77%	0.765	S	S	*	*			cis	87.9	88	32.8	-74.2	-175.2	173.5	174.7	0	116
315	S	33.5	Very low	32.5	Very low	113 Å²	113	126.7 Å²	126.7	79%	0.79	76%	0.764	S	S	*	*			trans	172.4	160.6	139.7	35.1	0	0	0	0	109.3
316	Q	31.1	Very low	32.3	Very low	153 Å²	153	127.7 Å²	127.7	72%	0.715	77%	0.768	S	S	*	*			cis	-174.6	163.4	-39.9	-111.7	175.4	49.9	0	0	105.3
317	F	31.3	Very low	32.2	Very low	184 Å²	184	130.1 Å²	130.1	81%	0.807	76%	0.763	S	S	*	*			trans	64.6	150.6	176	-56.5	-82.2	0	0	0	117.5
318	S	32.7	Very low	31.9	Very low	104 Å²	104	133.2 Å²	133.2	73%	0.727	77%	0.766	S	S	*	*			cis	-165	142.8	-35.2	46.1	0	0	0	0	110.4
319	L	25.9	Very low	31.8	Very low	162 Å²	162	134.5 Å²	134.5	85%	0.848	77%	0.772	S	S	*	*			trans	-67	165.7	159.5	-79.9	150.4	0	0	0	110.1
320	P	34.7	Very low	31.3	Very low	114 Å²	114	136 Å²	136	74%	0.74	77%	0.772	S	S	*	*			cis	-146	-172.8	31.4	44.3	-24	0	0	0	118.1
321	S	26.3	Very low	31.1	Very low	102 Å²	102	136.3 Å²	136.3	71%	0.713	78%	0.776	S	S	*	*			trans	-30.9	144.1	163.7	-36.4	0	0	0	0	117.9
322	S	31.5	Very low	31.1	Very low	124 Å²	124	136.7 Å²	136.7	87%	0.867	77%	0.769	S	S	*	*				-173.4	156.1	122.1	-84	0	0	0	0	115
323	S	27.1	Very low	30.8	Very low	108 Å²	108	136.6 Å²	136.6	76%	0.755	77%	0.771	S	S	*	*			trans	-59.5	172.8	-174.5	-44.3	0	0	0	0	119
324	S	30.2	Very low	30.7	Very low	106 Å²	106	135 Å²	135	74%	0.741	77%	0.769	S	S	*	*			trans	93.6	101.5	147.3	-55.9	0	0	0	0	120.3
325	S	27.9	Very low	30.6	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	77%	0.772	S	S	*	*				47.2	156.6	113.8	-51.9	0	0	0	0	123.2
326	L	30	Very low	30.5	Very low	159 Å²	159	137.8 Å²	137.8	83%	0.832	77%	0.773	S	S	*	*			trans	85.4	145	172.1	-52.3	174.2	0	0	0	114
327	L	30	Very low	30.2	Very low	123 Å²	123	137.5 Å²	137.5	64%	0.644	78%	0.776	S	S	*	*			cis	-158.1	-172.2	5.2	-129.1	167.6	0	0	0	111.8
328	F	31.6	Very low	30.2	Very low	179 Å²	179	137 Å²	137	79%	0.785	78%	0.776	S	S	*	*			trans	86.2	135.2	162	-54.2	-64.3	0	0	0	117.5
329	I	32.6	Very low	30.1	Very low	172 Å²	172	136.8 Å²	136.8	88%	0.882	78%	0.775	S	S	*	*			cis	-128.2	165.9	1.3	-62.1	-179.7	0	0	0	110.1
330	K	26	Very low	30.2	Very low	182 Å²	182	134 Å²	134	79%	0.791	77%	0.768	S	S	*	*			trans	-142	139.7	-171.5	177.7	-179.4	178.6	179.6	0	114.4
331	S	34.1	Very low	30.2	Very low	107 Å²	107	135.8 Å²	135.8	75%	0.748	77%	0.77	S	S	*	*			trans	-155.7	132.2	160.6	48.9	0	0	0	0	108.7
332	N	31.7	Very low	30.5	Very low	128 Å²	128	136.8 Å²	136.8	68%	0.684	77%	0.768	S	S	*	*			cis	71	125.1	48.9	-62.4	9.4	0	0	0	111.1
333	S	31.5	Very low	30.6	Very low	108 Å²	108	137 Å²	137	76%	0.755	76%	0.759	S	S	*	*			cis	-158.5	169.1	2.7	-63.1	0	0	0	0	111.2
334	P	34.1	Very low	30.8	Very low	116 Å²	116	138 Å²	138	75%	0.753	76%	0.756	S	S	*	*			trans	-108.6	163.8	174	39.3	-32.7	0	0	0	115
335	K	28.9	Very low	30.9	Very low	194 Å²	194	138.9 Å²	138.9	84%	0.843	75%	0.751	S	S	*	*			trans	138.4	159.1	147.4	-79.1	176.9	176.8	-175.7	0	115
336	L	30.8	Very low	31	Very low	157 Å²	157	138.8 Å²	138.8	82%	0.822	75%	0.746	S	S	*	*			trans	73.1	133.9	169.1	-48.4	-174.6	0	0	0	115.8
337	L	25.9	Very low	31.1	Very low	146 Å²	146	138.5 Å²	138.5	76%	0.764	75%	0.746	S	S	*	*			cis	97.3	93	17.8	-159.6	-175.2	0	0	0	114.2
338	E	30.8	Very low	30.8	Very low	175 Å²	175	137.9 Å²	137.9	82%	0.818	75%	0.752	S	S	*	*			trans	-165.9	129.9	152.2	-101.3	151.4	-171.2	0	0	106.1
339	S	30.3	Very low	31	Very low	99 Å²	99	134.1 Å²	134.1	69%	0.692	75%	0.745	S	S	*	*				73.5	135.1	74.7	102.7	0	0	0	0	112.6
340	S	27.9	Very low	30.6	Very low	102 Å²	102	133 Å²	133	71%	0.713	74%	0.741	S	S	*	*			cis	-160.8	-152.3	-6.4	-93.5	0	0	0	0	107.8
341	I	35.8	Very low	30.8	Very low	153 Å²	153	129.3 Å²	129.3	79%	0.785	74%	0.738	S	S	*	*			trans	86.9	98.7	176.7	-51.3	170.1	0	0	0	111.3
342	N	31.6	Very low	30.4	Very low	123 Å²	123	129.6 Å²	129.6	66%	0.658	74%	0.74	S	S	*	*				68.4	140.9	68.4	-69.1	65.9	0	0	0	112.5
343	D	33.4	Very low	30.3	Very low	129 Å²	129	133.7 Å²	133.7	69%	0.69	75%	0.753	S	S	*	*			cis	-155.9	174.1	-18.9	-69.5	-41.4	0	0	0	104.9
344	D	32	Very low	29.9	Very low	129 Å²	129	132.3 Å²	132.3	69%	0.69	74%	0.743	S	S	*	*			cis	-158.5	176.4	2.6	-144.2	-8.6	0	0	0	114
345	L	32.7	Very low	29.7	Very low	123 Å²	123	136.7 Å²	136.7	64%	0.644	75%	0.75	S	S	*	*			trans	29.2	110.2	146.3	-70.4	166.1	0	0	0	123.1
346	T	30.2	Very low	29.6	Very low	110 Å²	110	135.2 Å²	135.2	68%	0.675	75%	0.746	S	S	*	*				74.6	150	124.3	66.2	0	0	0	0	124.7
347	N	30.4	Very low	29.6	Very low	153 Å²	153	135.1 Å²	135.1	82%	0.818	74%	0.739	S	S	*	*			trans	69.7	108.3	147.1	-62.3	-15.8	0	0	0	121.6
348	S	24.5	Very low	29.9	Very low	111 Å²	111	137.5 Å²	137.5	78%	0.776	74%	0.739	S	S	*	*			trans	-78.1	178	142.7	64	0	0	0	0	110.3
349	P	35.4	Very low	29.7	Very low	100 Å²	100	136.1 Å²	136.1	65%	0.649	73%	0.733	S	S	*	*			cis	-137.2	-166.8	3.8	43.6	-25.4	0	0	0	115.4
350	N	25.3	Very low	29.8	Very low	147 Å²	147	139 Å²	139	79%	0.786	74%	0.74	S	S	*	*			trans	67.2	104.8	153.9	-65.7	-10.4	0	0	0	121.6
351	S	28.7	Very low	29.9	Very low	106 Å²	106	138.9 Å²	138.9	74%	0.741	73%	0.732	S	S	*	*				175.7	125	125	35.6	0	0	0	0	108.7
352	S	26	Very low	29.8	Very low	113 Å²	113	138.4 Å²	138.4	79%	0.79	73%	0.731	S	S	*	*				73.9	86.7	60.5	-61.2	0	0	0	0	113.8
353	F	29.4	Very low	29.9	Very low	214 Å²	214	138.6 Å²	138.6	94%	0.939	73%	0.732	S	S	*	*			trans	-136.7	151.6	153.8	-97.6	-77.4	0	0	0	111.1
354	S	24.7	Very low	29.9	Very low	79 Å²	79	138.5 Å²	138.5	55%	0.552	73%	0.731	S	S	*	*			trans	-134.5	153.2	-166.4	173.8	0	0	0	0	110.4
355	F	30	Very low	29.7	Very low	208 Å²	208	138 Å²	138	91%	0.912	74%	0.736	S	S	*	*			trans	-136.4	140	155.3	-89.7	-74.5	0	0	0	111.3
356	H	26.9	Very low	29.7	Very low	162 Å²	162	136.8 Å²	136.8	75%	0.75	74%	0.738	S	S	*	*			trans	-108.2	-175.6	-169.1	-112.5	-63.8	0	0	0	112.3
357	F	30.1	Very low	29.6	Very low	156 Å²	156	135.9 Å²	135.9	68%	0.684	74%	0.737	S	S	*	*			trans	113.2	131.4	161.8	-58.8	-51.2	0	0	0	114.4
358	Y	31.7	Very low	29.6	Very low	195 Å²	195	137.5 Å²	137.5	77%	0.765	74%	0.736	S	S	*	*			cis	-146	166.6	-2.8	-116.5	-58	0	0	0	111.6
359	H	27.9	Very low	29.7	Very low	147 Å²	147	138.3 Å²	138.3	68%	0.681	74%	0.737	S	S	*	*			trans	-45.3	146.5	-179.7	-83.7	-84.7	0	0	0	117.8	N361	H359-N361 PolarHBondContact ND1-OD1 3.03Å
360	N	31.5	Very low	29.5	Very low	159 Å²	159	140.8 Å²	140.8	85%	0.85	75%	0.751	S	S	*	*				-152.8	166.1	96	-144.7	-13.2	0	0	0	112.7
361	N	29.7	Very low	29.6	Very low	100 Å²	100	139.2 Å²	139.2	54%	0.535	75%	0.751	S	S	.	*			trans	-107.9	177.2	-152.4	-58.2	-16.5	0	0	0	115.7	H359	H359-N361 PolarHBondContact ND1-OD1 3.03Å
362	N	34	Very low	29.7	Very low	142 Å²	142	140 Å²	140	76%	0.759	75%	0.753	S	S	*	*			trans	91.6	129.9	162.2	-50.5	-15.5	0	0	0	116.6
363	N	33.3	Very low	29.8	Very low	127 Å²	127	141.9 Å²	141.9	68%	0.679	75%	0.754	S	S	*	*			cis	-165	164.1	-21.2	-125.8	27.7	0	0	0	110.2
364	D	33.7	Very low	29.8	Very low	127 Å²	127	140.7 Å²	140.7	68%	0.679	75%	0.748	S	S	*	*			trans	62.4	111.4	161.6	-59.4	-50.8	0	0	0	118.4
365	C	27.9	Very low	29.8	Very low	118 Å²	118	141.9 Å²	141.9	80%	0.797	76%	0.757	S	S	*	*				77.6	134.9	76.6	-71.2	0	0	0	0	113.6
366	S	31.6	Very low	29.7	Very low	98 Å²	98	139.1 Å²	139.1	69%	0.685	75%	0.75	S	S	*	*			cis	-159.4	120.6	1.1	-152.6	0	0	0	0	110.4
367	S	29.1	Very low	29.6	Very low	92 Å²	92	139.6 Å²	139.6	64%	0.643	75%	0.752	S	S	*	*				87.6	150.6	103.8	85.9	0	0	0	0	118.4
368	K	30.9	Very low	29.6	Very low	186 Å²	186	140.7 Å²	140.7	81%	0.809	76%	0.759	S	S	*	*			trans	68.9	114.7	172.7	-55.2	172.9	-172.5	176.2	0	115.7
369	T	26	Very low	29.3	Very low	129 Å²	129	137.3 Å²	137.3	79%	0.791	76%	0.759	S	S	*	*			cis	74.4	105.9	37.9	78.7	0	0	0	0	116.4
370	T	31.6	Very low	29.5	Very low	152 Å²	152	136.9 Å²	136.9	93%	0.933	77%	0.767	S	S	*	*				-163.3	164.6	128	20.7	0	0	0	0	111.3
371	S	26.5	Very low	29.2	Very low	113 Å²	113	137.5 Å²	137.5	79%	0.79	77%	0.77	S	S	*	*			trans	-94.1	167.4	-167.3	38.9	0	0	0	0	114.5
372	P	32	Very low	29.2	Very low	122 Å²	122	136.2 Å²	136.2	79%	0.792	78%	0.78	S	S	*	*			trans	-100.4	157.9	-157.9	38.1	-36.1	0	0	0	115.7
373	L	28.1	Very low	28.8	Very low	154 Å²	154	135.6 Å²	135.6	81%	0.806	79%	0.787	S	S	*	*			trans	-142	133.1	164.2	-98.8	173.2	0	0	0	114.2
374	K	28.5	Very low	28.5	Very low	188 Å²	188	137.1 Å²	137.1	82%	0.817	80%	0.795	S	S	*	*			trans	11.6	121	155.5	-66.3	174.6	-179.5	174.5	0	120.6
375	S	24.7	Very low	28.2	Very low	105 Å²	105	135.6 Å²	135.6	73%	0.734	79%	0.794	S	S	*	*				53.8	116.4	123.9	172.4	0	0	0	0	120.6
376	I	28.4	Very low	28.2	Very low	150 Å²	150	135.9 Å²	135.9	77%	0.769	79%	0.792	S	S	*	*				-154.4	143	118.8	-101.5	148.8	0	0	0	109.1
377	H	25.1	Very low	28.1	Very low	172 Å²	172	139 Å²	139	80%	0.796	80%	0.8	S	S	*	*			trans	-91.4	129.5	171.9	-91.3	-119.9	0	0	0	110.3
378	Q	29.7	Very low	28	Very low	179 Å²	179	141 Å²	141	84%	0.836	80%	0.802	S	S	*	*			trans	-129.6	136.9	152.2	-75.5	-170.5	-10	0	0	109.5
379	T	25.4	Very low	28	Very low	124 Å²	124	136.2 Å²	136.2	76%	0.761	80%	0.797	S	S	*	*			trans	-114.1	112	-177.7	49.3	0	0	0	0	109.6
380	T	30.9	Very low	28	Very low	137 Å²	137	136.3 Å²	136.3	84%	0.84	79%	0.793	S	S	*	*			trans	-110.3	133.2	169.5	43.9	0	0	0	0	109.8
381	N	27	Very low	28	Very low	173 Å²	173	136.8 Å²	136.8	93%	0.925	79%	0.79	S	S	*	*			trans	-77.9	127	178.2	-61.5	-51.8	0	0	0	109
382	G	28.6	Very low	28.1	Very low	72 Å²	72	137.7 Å²	137.7	74%	0.742	79%	0.785	S	S	*	*			trans	-147.7	121.3	-179.7	0	0	0	0	0	112.3	L384	G382-L384 PolarHBondContact O-N 3.44Å
383	S	25.6	Very low	28.1	Very low	130 Å²	130	140.8 Å²	140.8	91%	0.909	79%	0.789	S	S	*	*			trans	-65.7	125.3	166.3	-59.3	0	0	0	0	109.1
384	L	26.6	Very low	28.2	Very low	158 Å²	158	137.8 Å²	137.8	83%	0.827	78%	0.781	S	S	*	*			trans	-103.1	98.4	-177.7	-154.4	155.6	0	0	0	110.4	G382	G382-L384 PolarHBondContact O-N 3.44Å
385	S	28	Very low	28.3	Very low	95 Å²	95	135 Å²	135	66%	0.664	78%	0.775	S	S	*	*			trans	-67.6	128	168.1	34.4	0	0	0	0	110.2	L387	S385-L387 PolarHBondContact O-N 3.45Å
386	V	28.4	Very low	28.6	Very low	125 Å²	125	136 Å²	136	76%	0.758	77%	0.772	S	S	*	*			trans	-77	103.5	173.6	179.8	0	0	0	0	108.4	I388	V386-I388 HydrophobicContact CG1-CG1 4.36Å
387	L	28.3	Very low	28.7	Very low	163 Å²	163	135.2 Å²	135.2	85%	0.853	77%	0.77	S	S	*	*			trans	-75.6	126	162.8	-67.7	173.7	0	0	0	108.5	S385	S385-L387 PolarHBondContact O-N 3.45Å
388	I	27.3	Very low	28.9	Very low	135 Å²	135	133.2 Å²	133.2	69%	0.692	77%	0.765	S	S	*	*			trans	-96.5	128.5	167.7	-60.9	173.4	0	0	0	106.5	V386	V386-I388 HydrophobicContact CG1-CG1 4.36Å
389	A	30.8	Very low	28.9	Very low	85 Å²	85	132.1 Å²	132.1	70%	0.702	77%	0.765	S	S	*	*			trans	-103.6	108.5	171.1	0	0	0	0	0	108.6	D391	A389-D391 PolarHBondContact O-N 3.37Å
390	D	26.5	Very low	29.1	Very low	130 Å²	130	134.4 Å²	134.4	70%	0.695	77%	0.766	S	S	*	*			trans	-89.3	75.5	178.3	-76.3	-39	0	0	0	111.1	N392	D390-N392 VanDerWaalsContact C-N 3.33Å; D390-N392 PolarHBondContact O-N 3.46Å; D390-N392 PolarHBondContact O-ND2 3.49Å
391	D	31.6	Very low	29	Very low	163 Å²	163	135.4 Å²	135.4	87%	0.872	77%	0.767	S	S	*	*			trans	-73.8	86.9	172	-78.8	-36.7	0	0	0	111	A389 H393	A389-D391 PolarHBondContact O-N 3.37Å; D391-H393 PolarHBondContact O-N 2.99Å
392	N	28.8	Very low	29.1	Very low	131 Å²	131	134 Å²	134	70%	0.701	76%	0.759	S	S	*	*			trans	-74.8	112.2	176.5	-77.4	-95.5	0	0	0	111.1	D390	D390-N392 VanDerWaalsContact C-N 3.33Å; D390-N392 PolarHBondContact O-N 3.46Å; D390-N392 PolarHBondContact O-ND2 3.49Å
393	H	31.1	Very low	29.2	Very low	187 Å²	187	138.3 Å²	138.3	87%	0.866	76%	0.759	S	S	*	*			trans	-160.7	129.1	145	-106.3	-54.2	0	0	0	116.4	D391	D391-H393 PolarHBondContact O-N 2.99Å
394	S	31.4	Very low	29.4	Very low	91 Å²	91	140.5 Å²	140.5	64%	0.636	75%	0.753	S	S	*	*			trans	69.5	109.8	135.5	-150.2	0	0	0	0	121.4
395	N	30.8	Very low	29.4	Very low	129 Å²	129	138.4 Å²	138.4	69%	0.69	75%	0.747	S	S	*	*			trans	62.6	113.1	136.1	-74.4	-34.6	0	0	0	122.2
396	N	30.1	Very low	29.4	Very low	127 Å²	127	140.6 Å²	140.6	68%	0.679	75%	0.749	S	S	*	*				73.6	125.4	125.6	-60.4	-22	0	0	0	121.4
397	N	30.5	Very low	29.3	Very low	134 Å²	134	143.1 Å²	143.1	72%	0.717	75%	0.753	S	S	*	*			trans	76.2	106.2	145.1	-59.2	-13.5	0	0	0	119.6
398	N	29.4	Very low	29.4	Very low	130 Å²	130	140 Å²	140	70%	0.695	74%	0.74	S	S	*	*			trans	79.3	117.9	138.2	-54.6	-19.9	0	0	0	119.8	H400	N398-H400 PolarHBondContact O-N 2.93Å; N398-H400 PolarHBondContact O-ND1 3.16Å
399	N	29.2	Very low	29.5	Very low	156 Å²	156	139.4 Å²	139.4	83%	0.834	75%	0.745	S	S	*	*			trans	47.3	67.6	142.3	-60.8	-1.4	0	0	0	117.4
400	H	30.1	Very low	29.5	Very low	171 Å²	171	141.9 Å²	141.9	79%	0.792	75%	0.752	S	S	*	*			trans	-121.5	135.6	159.5	-83.3	74	0	0	0	111.5	N398 N402	N398-H400 PolarHBondContact O-N 2.93Å; N398-H400 PolarHBondContact O-ND1 3.16Å; H400-N402 PolarHBondContact O-N 3.08Å
401	N	28.3	Very low	30	Very low	159 Å²	159	144.9 Å²	144.9	85%	0.85	76%	0.759	S	S	*	*			trans	-81.1	106.1	-170.9	-63.4	-52.4	0	0	0	110.5	H403	N401-H403 VanDerWaalsContact C-N 3.29Å; N401-H403 PolarHBondContact O-N 3.42Å
402	N	30.8	Very low	30.1	Very low	142 Å²	142	142.2 Å²	142.2	76%	0.759	76%	0.76	S	S	*	*			trans	-71.8	85.8	172.2	-78.5	-6.6	0	0	0	110.6	H400 F404	H400-N402 PolarHBondContact O-N 3.08Å; N402-F404 HydrophobicContact CB-CE2 4.43Å; N402-F404 WeakPolarHBondContact O-CD2 3.47Å; N402-F404 PolarHBondContact O-N 3.31Å
403	H	29.5	Very low	30.4	Very low	163 Å²	163	140.9 Å²	140.9	76%	0.755	75%	0.752	S	S	*	*			trans	-66.5	90.2	176.3	179.5	-139.1	0	0	0	110.6	N401 V405	N401-H403 VanDerWaalsContact C-N 3.29Å; N401-H403 PolarHBondContact O-N 3.42Å; H403-V405 PolarHBondContact O-N 3.15Å
404	F	29.1	Very low	30.7	Very low	176 Å²	176	134.8 Å²	134.8	77%	0.772	73%	0.73	S	S	*	*			trans	-68.5	97.4	177.2	-91.1	-86.1	0	0	0	111.5	N402 I406	N402-F404 HydrophobicContact CB-CE2 4.43Å; N402-F404 WeakPolarHBondContact O-CD2 3.47Å; N402-F404 PolarHBondContact O-N 3.31Å; F404-I406 PolarHBondContact O-N 2.95Å
405	V	28.4	Very low	31	Very low	115 Å²	115	137.9 Å²	137.9	70%	0.697	73%	0.734	S	S	*	*			trans	-70.9	93.4	169.8	-178.8	0	0	0	0	109	H403 Q407	H403-V405 PolarHBondContact O-N 3.15Å; V405-Q407 VanDerWaalsContact C-N 3.32Å; V405-Q407 PolarHBondContact O-N 3.05Å
406	I	28.1	Very low	31.5	Very low	141 Å²	141	134.9 Å²	134.9	72%	0.723	73%	0.728	S	S	*	*			trans	-74.7	87.7	173.8	-56	179.4	0	0	0	108.6	F404 T408	F404-I406 PolarHBondContact O-N 2.95Å; I406-T408 HydrophobicContact CG2-CG2 4.29Å; I406-T408 PolarHBondContact O-N 2.83Å
407	Q	25.9	Very low	32	Very low	178 Å²	178	132.3 Å²	132.3	83%	0.832	71%	0.714	S	S	*	*			trans	-68.8	93.4	172	-169.5	176.5	15.8	0	0	109.5	V405	V405-Q407 VanDerWaalsContact C-N 3.32Å; V405-Q407 PolarHBondContact O-N 3.05Å
408	T	29.4	Very low	32.4	Very low	96 Å²	96	131.3 Å²	131.3	59%	0.589	71%	0.705	S	S	*	*			trans	-65.7	131	175.8	51.1	0	0	0	0	109.7	I406 T410	I406-T408 HydrophobicContact CG2-CG2 4.29Å; I406-T408 PolarHBondContact O-N 2.83Å; T408-T410 PolarHBondContact O-N 2.93Å
409	P	30.7	Very low	32.9	Very low	123 Å²	123	131.6 Å²	131.6	80%	0.799	71%	0.706	S	S	*	*			trans	-73.5	93.7	-175	27.5	-34.3	0	0	0	111.2	K411	P409-K411 VanDerWaalsContact C-N 3.28Å; P409-K411 PolarHBondContact O-N 2.72Å
410	T	29.7	Very low	33.3	Very low	137 Å²	137	128.3 Å²	128.3	84%	0.84	70%	0.695	S	S	*	*			trans	-73	73.8	174.9	44.5	0	0	0	0	111.8	T408	T408-T410 PolarHBondContact O-N 2.93Å
411	K	36.6	Very low	33.5	Very low	194 Å²	194	127.4 Å²	127.4	84%	0.843	69%	0.689	S	S	*	*			trans	-118.5	129.3	163.2	-94.3	-177.6	172.9	176.6	0	110.7	P409 L413	P409-K411 VanDerWaalsContact C-N 3.28Å; P409-K411 PolarHBondContact O-N 2.72Å; K411-L413 PolarHBondContact O-N 2.97Å
412	A	34.8	Very low	33.8	Very low	107 Å²	107	128 Å²	128	88%	0.884	69%	0.686	S	S	*	*			trans	-30.1	119.2	-169.7	0	0	0	0	0	116.1
413	L	34.3	Very low	33.9	Very low	103 Å²	103	127.9 Å²	127.9	54%	0.539	69%	0.685	S	S	.	*			trans	-66.1	132.7	164.9	-71.1	170.3	0	0	0	109.6	K411 D417 Q418	K411-L413 PolarHBondContact O-N 2.97Å; L413-D417 HydrophobicContact CB-CB 4.4Å; L413-D417 HydrophobicContact CD2-CB 4.07Å; L413-Q418 HydrophobicContact CB-CG 4.11Å; L413-Q418 PolarHBondContact O-NE2 3.38Å
414	S	38.7	Very low	34.1	Very low	58 Å²	58	124.5 Å²	124.5	41%	0.406	68%	0.676	S	S	.	*			trans	-67.7	155.9	171	79.2	0	0	0	0	110.5	A416 D417 Q418	S414-A416 PolarHBondContact O-N 2.92Å; S414-D417 WeakPolarHBondContact CB-OD2 3.33Å; S414-D417 PolarHBondContact N-OD2 3.17Å; S414-D417 WeakPolarHBondContact O-CB 3.4Å; S414-D417 PolarHBondContact O-N 3.13Å; S414-D417 PolarHBondContact OG-N 3Å; S414-D417 PolarHBondContact OG-OD2 3.28Å; S414-Q418 PolarHBondContact O-N 2.83Å; S414-Q418 VanDerWaalsContact O-N 3.09Å
415	E	36	Very low	34.1	Very low	156 Å²	156	120.7 Å²	120.7	73%	0.729	67%	0.671	S	S	*	*	H	α-helix	trans	-59.8	-29.5	176.9	-163.7	173.2	-171.5	0	0	112	Q418 L419	E415-Q418 PolarHBondContact O-N 2.61Å; E415-L419 WeakPolarHBondContact O-CG 3.13Å; E415-L419 PolarHBondContact O-N 3Å
416	A	42.1	Very low	34.1	Very low	67 Å²	67	120.2 Å²	120.2	55%	0.554	67%	0.671	S	S	*	*	H	α-helix	trans	-68.1	-31.6	173.1	0	0	0	0	0	113.5	S414 S420	S414-A416 PolarHBondContact O-N 2.92Å; A416-S420 PolarHBondContact O-OG 3.19Å
417	D	40.6	Very low	34.3	Very low	73 Å²	73	118.3 Å²	118.3	39%	0.39	67%	0.668	S	S	.	*	H	α-helix	trans	-72.4	-42.5	171.8	-62.1	-65.7	0	0	0	110.7	L413 S414 L419 S420 F421	L413-D417 HydrophobicContact CB-CB 4.4Å; L413-D417 HydrophobicContact CD2-CB 4.07Å; S414-D417 WeakPolarHBondContact CB-OD2 3.33Å; S414-D417 PolarHBondContact N-OD2 3.17Å; S414-D417 WeakPolarHBondContact O-CB 3.4Å; S414-D417 PolarHBondContact O-N 3.13Å; S414-D417 PolarHBondContact OG-N 3Å; S414-D417 PolarHBondContact OG-OD2 3.28Å; D417-L419 VanDerWaalsContact C-N 3.34Å; D417-L419 PolarHBondContact O-N 3Å; D417-S420 WeakPolarHBondContact O-CA 3.33Å; D417-S420 VanDerWaalsContact O-CB 3.26Å; D417-S420 WeakPolarHBondContact O-CB 3.43Å; D417-S420 PolarHBondContact O-N 3.44Å; D417-F421 VanDerWaalsContact O-CD2 3.26Å; D417-F421 WeakPolarHBondContact O-CD2 3.47Å
418	Q	39.5	Very low	34.5	Very low	112 Å²	112	114.2 Å²	114.2	52%	0.523	66%	0.664	S	S	.	*	H	α-helix	trans	-60.4	-42.7	179.3	-63.4	-177.9	38.6	0	0	111.7	L413 S414 E415 S420 F421	L413-Q418 HydrophobicContact CB-CG 4.11Å; L413-Q418 PolarHBondContact O-NE2 3.38Å; S414-Q418 PolarHBondContact O-N 2.83Å; S414-Q418 VanDerWaalsContact O-N 3.09Å; E415-Q418 PolarHBondContact O-N 2.61Å; Q418-S420 PolarHBondContact O-N 2.88Å; Q418-S420 VanDerWaalsContact O-N 3.15Å; Q418-F421 PolarHBondContact O-N 3.07Å
419	L	38.9	Very low	34.6	Very low	136 Å²	136	116.3 Å²	116.3	71%	0.712	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-14	173	-70	172.4	0	0	0	114.1	E415 D417	E415-L419 WeakPolarHBondContact O-CG 3.13Å; E415-L419 PolarHBondContact O-N 3Å; D417-L419 VanDerWaalsContact C-N 3.34Å; D417-L419 PolarHBondContact O-N 3Å
420	S	38.5	Very low	34.6	Very low	88 Å²	88	116.9 Å²	116.9	62%	0.615	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-10.4	177.8	-61.8	0	0	0	0	114.1	A416 D417 Q418	A416-S420 PolarHBondContact O-OG 3.19Å; D417-S420 WeakPolarHBondContact O-CA 3.33Å; D417-S420 VanDerWaalsContact O-CB 3.26Å; D417-S420 WeakPolarHBondContact O-CB 3.43Å; D417-S420 PolarHBondContact O-N 3.44Å; Q418-S420 PolarHBondContact O-N 2.88Å; Q418-S420 VanDerWaalsContact O-N 3.15Å
421	F	33.9	Very low	34.5	Very low	151 Å²	151	113.7 Å²	113.7	66%	0.662	67%	0.666	S	S	*	*			trans	-92.4	-9.5	-174.7	-84.9	-76.4	0	0	0	116.2	D417 Q418 L423	D417-F421 VanDerWaalsContact O-CD2 3.26Å; D417-F421 WeakPolarHBondContact O-CD2 3.47Å; Q418-F421 PolarHBondContact O-N 3.07Å; F421-L423 PolarHBondContact O-N 3.46Å
422	H	35.3	Very low	34.2	Very low	171 Å²	171	109.5 Å²	109.5	79%	0.792	66%	0.662	S	S	*	*			trans	-77.4	65.1	174.1	-79.9	-59.9	0	0	0	113.1	T424	H422-T424 PolarHBondContact O-N 3.1Å
423	L	33	Very low	33.9	Very low	141 Å²	141	109.7 Å²	109.7	74%	0.738	66%	0.663	S	S	*	*			trans	-63.4	84.6	158.3	-70.7	178.2	0	0	0	109	F421 S425	F421-L423 PolarHBondContact O-N 3.46Å; L423-S425 PolarHBondContact O-N 2.89Å
424	T	32.8	Very low	33.5	Very low	91 Å²	91	107.7 Å²	107.7	56%	0.558	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-63.2	119.1	165.4	-44.5	0	0	0	0	107	K69 H422	K69-T424 PolarHBondContact NZ-OG1 3.02Å; H422-T424 PolarHBondContact O-N 3.1Å
425	S	28.4	Very low	33	Very low	96 Å²	96	116.5 Å²	116.5	67%	0.671	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-52.4	140.2	174.5	36.2	0	0	0	0	110.4	L423	L423-S425 PolarHBondContact O-N 2.89Å
426	P	30.2	Very low	32.5	Very low	106 Å²	106	119.8 Å²	119.8	69%	0.688	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-58	131.7	170.8	-20.6	32.3	0	0	0	108.8	A428	P426-A428 PolarHBondContact O-N 2.93Å
427	P	32.4	Very low	31.9	Very low	101 Å²	101	121.9 Å²	121.9	66%	0.656	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-60.4	124.5	174.2	25.2	-32.9	0	0	0	108.4	V429	P427-V429 PolarHBondContact O-N 2.78Å
428	A	29.9	Very low	31.3	Very low	92 Å²	92	124.6 Å²	124.6	76%	0.76	73%	0.726	S	S	*	*			trans	-67.2	99.1	-179.4	0	0	0	0	0	109.5	P426 L430	P426-A428 PolarHBondContact O-N 2.93Å; A428-L430 VanDerWaalsContact C-N 3.26Å; A428-L430 PolarHBondContact O-N 3.09Å
429	V	31	Very low	30.9	Very low	139 Å²	139	125.5 Å²	125.5	84%	0.842	74%	0.74	S	S	*	*			trans	-69.8	91.5	169	-179.7	0	0	0	0	107.1	P427 G431	P427-V429 PolarHBondContact O-N 2.78Å; V429-G431 PolarHBondContact O-N 3.28Å
430	L	30.7	Very low	30.3	Very low	135 Å²	135	125.3 Å²	125.3	71%	0.707	74%	0.739	S	S	*	*			trans	-56.3	106.4	175.8	-101.1	161	0	0	0	109.5	A428 S432	A428-L430 VanDerWaalsContact C-N 3.26Å; A428-L430 PolarHBondContact O-N 3.09Å; L430-S432 PolarHBondContact O-N 2.87Å
431	G	27.9	Very low	29.9	Very low	70 Å²	70	127.5 Å²	127.5	72%	0.722	74%	0.743	S	S	*	*			trans	-70.9	78.9	172.6	0	0	0	0	0	110.3	V429 A433	V429-G431 PolarHBondContact O-N 3.28Å; G431-A433 PolarHBondContact O-N 3.43Å
432	S	28.5	Very low	29.7	Very low	107 Å²	107	126.4 Å²	126.4	75%	0.748	75%	0.745	S	S	*	*			trans	-70.9	58	179.1	-64.7	0	0	0	0	112.6	L430 G434	L430-S432 PolarHBondContact O-N 2.87Å; S432-G434 VanDerWaalsContact C-N 3.27Å; S432-G434 PolarHBondContact O-N 3.39Å
433	A	28.9	Very low	29.4	Very low	111 Å²	111	127.6 Å²	127.6	92%	0.917	75%	0.75	S	S	*	*			trans	-74.5	75.9	176.5	0	0	0	0	0	110.8	G431	G431-A433 PolarHBondContact O-N 3.43Å
434	G	26.3	Very low	29.1	Very low	61 Å²	61	129.7 Å²	129.7	63%	0.629	75%	0.753	S	S	*	*	S	Bend	trans	124.7	85.3	164.3	0	0	0	0	0	115.8	S432	S432-G434 VanDerWaalsContact C-N 3.27Å; S432-G434 PolarHBondContact O-N 3.39Å
435	R	27.6	Very low	29	Very low	242 Å²	242	131.5 Å²	131.5	91%	0.913	76%	0.758	S	S	*	*			trans	-175	98.8	136.5	-100.9	166.6	-142.6	-93.5	4.8	109	P437	R435-P437 WeakPolarHBondContact O-CD 3.3Å
436	Y	26.4	Very low	29.2	Very low	225 Å²	225	132.6 Å²	132.6	88%	0.882	76%	0.761	S	S	*	*			trans	-76.2	124.5	163.6	-75.8	-85.9	0	0	0	108.8	V438	Y436-V438 PolarHBondContact O-N 2.88Å
437	P	30.1	Very low	29.1	Very low	111 Å²	111	134 Å²	134	72%	0.721	76%	0.763	S	S	*	*			trans	-71.3	123.6	161.2	-8.6	26	0	0	0	108.2	R435 T439	R435-P437 WeakPolarHBondContact O-CD 3.3Å; P437-T439 PolarHBondContact O-N 2.79Å
438	V	27.1	Very low	29.2	Very low	131 Å²	131	136.3 Å²	136.3	79%	0.794	77%	0.769	S	S	*	*			trans	-83.4	100.1	173.2	178.7	0	0	0	0	108.4	Y436 N440	Y436-V438 PolarHBondContact O-N 2.88Å; V438-N440 HydrophobicContact CG1-CB 4.47Å
439	T	30.3	Very low	29.3	Very low	131 Å²	131	138.8 Å²	138.8	80%	0.804	77%	0.769	S	S	*	*			trans	-118.6	57.9	169.5	58.6	0	0	0	0	110.6	P437	P437-T439 PolarHBondContact O-N 2.79Å
440	N	26.8	Very low	29.6	Very low	132 Å²	132	141.1 Å²	141.1	71%	0.706	77%	0.768	S	S	*	*			trans	-82	149	156	-107	9.3	0	0	0	107.6	V438	V438-N440 HydrophobicContact CG1-CB 4.47Å
441	L	29.8	Very low	29.7	Very low	133 Å²	133	140.6 Å²	140.6	70%	0.696	77%	0.77	S	S	*	*			cis	-160.9	-160	1.2	-171.9	52.9	0	0	0	107.3
442	N	29.9	Very low	30	Very low	129 Å²	129	143.2 Å²	143.2	69%	0.69	78%	0.775	S	S	*	*			trans	96.1	85.6	151.4	-54.1	-25.2	0	0	0	116.7
443	H	30.1	Very low	30.3	Very low	195 Å²	195	146.3 Å²	146.3	90%	0.903	78%	0.781	S	S	*	*			trans	-101.7	113.8	134.2	-85.7	11.6	0	0	0	110.2
444	K	27.3	Very low	30.5	Very low	185 Å²	185	143.6 Å²	143.6	80%	0.804	76%	0.764	S	S	*	*			trans	85.7	128.4	137.3	-159.8	173.5	-175.8	-177.6	0	119.8
445	I	29	Very low	30.9	Very low	129 Å²	129	146.6 Å²	146.6	66%	0.662	78%	0.776	S	S	*	*			trans	84.1	117	152.1	-86.3	169.4	0	0	0	119.4
446	T	32.2	Very low	31.1	Very low	120 Å²	120	145.6 Å²	145.6	74%	0.736	77%	0.772	S	S	*	*			trans	58	144.5	150.7	57.6	0	0	0	0	120.3
447	D	29.9	Very low	31.3	Very low	136 Å²	136	141.6 Å²	141.6	73%	0.727	76%	0.764	S	S	*	*			cis	-158.2	174.3	-8.9	-139	-30.4	0	0	0	111.3
448	L	34.1	Very low	31.2	Very low	148 Å²	148	141.8 Å²	141.8	78%	0.775	77%	0.766	S	S	*	*			trans	61.8	128.5	159.6	-99	65.8	0	0	0	121.1
449	D	32.3	Very low	31	Very low	144 Å²	144	146.9 Å²	146.9	77%	0.77	77%	0.771	S	S	*	*			trans	-69.4	152.8	174.3	-49.4	-87.5	0	0	0	115.3
450	K	35.6	Very low	30.9	Very low	188 Å²	188	150.4 Å²	150.4	82%	0.817	78%	0.775	S	S	*	*				177.9	116.4	109.7	-94.3	153.6	-170.4	171.3	0	116.4
451	T	34	Very low	30.9	Very low	124 Å²	124	148.4 Å²	148.4	76%	0.761	77%	0.771	S	S	*	*			trans	49.1	124.1	138.4	58.1	0	0	0	0	122.5
452	P	34.5	Very low	30.8	Very low	125 Å²	125	150.7 Å²	150.7	81%	0.812	78%	0.779	S	S	*	*			trans	-111.5	154.6	173	39.9	-32.1	0	0	0	116.2
453	I	35.4	Very low	30.9	Very low	172 Å²	172	152.4 Å²	152.4	88%	0.882	79%	0.786	S	S	*	*			trans	-148.3	145.6	160.7	-69.4	100.4	0	0	0	106.2
454	G	31.8	Very low	30.8	Very low	55 Å²	55	155 Å²	155	57%	0.567	79%	0.788	S	S	*	*			cis	160.1	159.5	-5.4	0	0	0	0	0	111.6
455	S	34.1	Very low	31	Very low	124 Å²	124	149.4 Å²	149.4	87%	0.867	78%	0.783	S	S	*	*			trans	68.3	170.1	176.2	83.7	0	0	0	0	117.8
456	R	33.5	Very low	31.1	Very low	220 Å²	220	151 Å²	151	83%	0.83	79%	0.793	S	S	*	*				-166.5	134.3	-68.4	-111.1	-175.8	-172	-163.2	6	109.1
457	I	29	Very low	31.1	Very low	141 Å²	141	153.3 Å²	153.3	72%	0.723	80%	0.8	S	S	*	*			trans	56.3	124.8	136.6	-64.3	173.4	0	0	0	117.1
458	P	28	Very low	31	Very low	116 Å²	116	150.7 Å²	150.7	75%	0.753	81%	0.806	S	S	*	*				-145.7	161.6	71.2	37.8	-18.8	0	0	0	118.7
459	R	24	Very low	30.8	Very low	238 Å²	238	147.7 Å²	147.7	90%	0.898	80%	0.802	S	S	*	*			trans	-92.8	147	153.1	-60.4	173.1	-179.5	147.6	-2.1	107.9
460	F	27.2	Very low	30.9	Very low	205 Å²	205	147 Å²	147	90%	0.899	81%	0.805	S	S	*	*			trans	-140.1	163.7	154.4	-123.9	-89.1	0	0	0	110.1
461	S	27	Very low	30.8	Very low	89 Å²	89	145.9 Å²	145.9	62%	0.622	81%	0.808	S	S	*	*			trans	-149.4	152.2	-161.6	56.6	0	0	0	0	113.5
462	Q	28.7	Very low	30.9	Very low	182 Å²	182	150.9 Å²	150.9	85%	0.85	81%	0.812	S	S	*	*			trans	73.1	170.9	169.8	-56	178.6	-11.3	0	0	116
463	I	32.4	Very low	30.8	Very low	165 Å²	165	152.5 Å²	152.5	85%	0.846	80%	0.802	S	S	*	*			trans	68.2	92.5	-173.3	-45.6	171.4	0	0	0	111.4
464	R	28.1	Very low	30.7	Very low	249 Å²	249	147.3 Å²	147.3	94%	0.94	78%	0.78	S	S	*	*			cis	83.8	88.6	39	-166.4	-162.6	-85.2	-135.3	0.4	113.4
465	G	30.1	Very low	30.8	Very low	68 Å²	68	150.2 Å²	150.2	70%	0.701	78%	0.782	S	S	*	*			trans	154	115	166.8	0	0	0	0	0	111.9
466	D	31	Very low	30.7	Very low	162 Å²	162	146.3 Å²	146.3	87%	0.866	75%	0.754	S	S	*	*			trans	51.7	171.3	168.2	-64.7	-43.6	0	0	0	120.8
467	D	32.5	Very low	30.9	Very low	168 Å²	168	138.4 Å²	138.4	90%	0.898	73%	0.73	S	S	*	*			trans	54.3	117.6	174.4	-69.8	-26	0	0	0	121.7
468	G	28.9	Very low	31.2	Very low	82 Å²	82	138 Å²	138	85%	0.845	72%	0.72	S	S	*	*			trans	95.6	74.3	133.1	0	0	0	0	0	119.6
469	A	29.3	Very low	31.6	Very low	84 Å²	84	138.1 Å²	138.1	69%	0.694	71%	0.713	S	S	*	*			trans	-143.4	123.3	159.1	0	0	0	0	0	112.9	L471	A469-L471 PolarHBondContact O-N 3.31Å; A469-L471 VanDerWaalsContact O-N 3.1Å
470	P	34.2	Very low	32	Very low	129 Å²	129	134.6 Å²	134.6	84%	0.838	71%	0.705	S	S	*	*			trans	-76.9	99.5	-179.9	30	-33.7	0	0	0	111.6	R472	P470-R472 PolarHBondContact O-N 3.19Å
471	L	34.1	Very low	32.2	Very low	165 Å²	165	128.7 Å²	128.7	86%	0.864	68%	0.682	S	S	*	*			trans	-56.6	108.3	179.7	-70.8	169.4	0	0	0	112.4	A469 R473	A469-L471 PolarHBondContact O-N 3.31Å; A469-L471 VanDerWaalsContact O-N 3.1Å; L471-R473 PolarHBondContact O-N 2.68Å
472	R	34.9	Very low	32.3	Very low	229 Å²	229	130.5 Å²	130.5	86%	0.864	69%	0.685	S	S	*	*			trans	-69.8	90.7	171.2	-83.9	-167.5	167.3	-154.4	-2.5	110.5	P470	P470-R472 PolarHBondContact O-N 3.19Å
473	R	32.8	Very low	32.4	Very low	159 Å²	159	128 Å²	128	60%	0.6	68%	0.677	S	S	*	*			trans	-53	138.8	170	-64.9	-173.7	-177.5	120.2	5	110.9	L471 R478	L471-R473 PolarHBondContact O-N 2.68Å; R473-R478 VanDerWaalsContact O-CZ 3.24Å; R473-R478 PolarHBondContact O-NH1 2.95Å; R473-R478 PolarHBondContact O-NH2 3.16Å
474	P	32.8	Very low	32.2	Very low	64 Å²	64	123 Å²	123	42%	0.416	66%	0.655	S	S	.	*			trans	-66.8	170.9	174.5	29.6	-35.1	0	0	0	111.6	C476 T477 R478	P474-C476 VanDerWaalsContact C-N 3.28Å; P474-C476 PolarHBondContact O-N 2.94Å; P474-T477 HydrophobicContact CG-CG2 4.23Å; P474-R478 PolarHBondContact O-NH1 2.81Å
475	L	34.2	Very low	32.2	Very low	116 Å²	116	118.8 Å²	118.8	61%	0.607	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-23.9	-172	-138	153.3	0	0	0	112.7
476	C	33.1	Very low	32.1	Very low	42 Å²	42	122.3 Å²	122.3	28%	0.284	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.5	-36.5	-176.1	51.1	0	0	0	0	115.6	P474 R478	P474-C476 VanDerWaalsContact C-N 3.28Å; P474-C476 PolarHBondContact O-N 2.94Å; C476-R478 VanDerWaalsContact C-N 3.33Å; C476-R478 PolarHBondContact O-N 2.91Å
477	T	37.8	Very low	32	Very low	53 Å²	53	121 Å²	121	33%	0.325	65%	0.652	S	S	.	*	G	3₁₀ helix	trans	-71.2	-29.6	-178.5	69.4	0	0	0	0	112.4	P474 L479 F480 D481	P474-T477 HydrophobicContact CG-CG2 4.23Å; T477-L479 PolarHBondContact O-N 2.9Å; T477-F480 PolarHBondContact O-N 3.01Å; T477-D481 VanDerWaalsContact C-OD2 3.3Å; T477-D481 WeakPolarHBondContact CB-OD2 3.43Å; T477-D481 PolarHBondContact O-N 3.47Å; T477-D481 VanDerWaalsContact O-N 3.14Å; T477-D481 PolarHBondContact OG1-OD2 2.78Å
478	R	34.5	Very low	31.8	Very low	134 Å²	134	118.3 Å²	118.3	51%	0.506	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-61.9	-4.7	178.4	-66.6	-165.4	-175.5	78	4.7	115.2	R473 P474 C476	R473-R478 VanDerWaalsContact O-CZ 3.24Å; R473-R478 PolarHBondContact O-NH1 2.95Å; R473-R478 PolarHBondContact O-NH2 3.16Å; P474-R478 PolarHBondContact O-NH1 2.81Å; C476-R478 VanDerWaalsContact C-N 3.33Å; C476-R478 PolarHBondContact O-N 2.91Å
479	L	36.3	Very low	31.7	Very low	117 Å²	117	122.2 Å²	122.2	61%	0.613	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-88.3	-10.6	172.8	-76.2	168.4	0	0	0	114	T477	T477-L479 PolarHBondContact O-N 2.9Å
480	F	33	Very low	31.6	Very low	165 Å²	165	123.8 Å²	123.8	72%	0.724	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	-12.9	178.3	-62.6	-74.8	0	0	0	114.5	T477 N482	T477-F480 PolarHBondContact O-N 3.01Å; F480-N482 PolarHBondContact O-N 3.16Å
481	D	31.1	Very low	31.1	Very low	80 Å²	80	123.2 Å²	123.2	43%	0.428	65%	0.649	S	S	.	*			trans	-66.3	25.6	178	-64.9	-21	0	0	0	115.2	T477	T477-D481 VanDerWaalsContact C-OD2 3.3Å; T477-D481 WeakPolarHBondContact CB-OD2 3.43Å; T477-D481 PolarHBondContact O-N 3.47Å; T477-D481 VanDerWaalsContact O-N 3.14Å; T477-D481 PolarHBondContact OG1-OD2 2.78Å
482	N	28.9	Very low	30.8	Very low	127 Å²	127	121.7 Å²	121.7	68%	0.679	65%	0.647	S	S	*	*			trans	-120.7	36.8	179.7	-78.8	-33.9	0	0	0	112.7	F480	F480-N482 PolarHBondContact O-N 3.16Å
483	I	29.9	Very low	30.2	Very low	131 Å²	131	116 Å²	116	67%	0.672	64%	0.642	S	S	*	*			trans	-83	118.1	160.7	-58.1	176.4	0	0	0	106.7	N485	I483-N485 PolarHBondContact O-N 3.27Å
484	P	29	Very low	30	Very low	60 Å²	60	117 Å²	117	39%	0.39	66%	0.658	S	S	.	*			trans	-73.4	116.5	-178.8	28.6	-33.1	0	0	0	110.9	L228 D486	L228-P484 HydrophobicContact CD1-CG 4.13Å; L228-P484 HydrophobicContact CD2-CG 4.42Å; P484-D486 HydrophobicContact CB-CB 4.41Å; P484-D486 PolarHBondContact O-N 3.33Å
485	N	28.4	Very low	29.5	Very low	159 Å²	159	119.1 Å²	119.1	85%	0.85	68%	0.675	S	S	*	*			trans	-78.7	48.4	167.4	-83.5	-6.8	0	0	0	110.9	I483	I483-N485 PolarHBondContact O-N 3.27Å
486	D	27.5	Very low	29.1	Very low	143 Å²	143	118.8 Å²	118.8	77%	0.765	68%	0.682	S	S	*	*			trans	-120.1	70.3	-175.1	-72.8	-58.9	0	0	0	111.2	P484	P484-D486 HydrophobicContact CB-CB 4.41Å; P484-D486 PolarHBondContact O-N 3.33Å
487	T	28.6	Very low	28.6	Very low	135 Å²	135	121.9 Å²	121.9	83%	0.828	70%	0.704	S	S	*	*			trans	-124.7	75.2	161.8	-50.2	0	0	0	0	108.6	L489	T487-L489 PolarHBondContact O-N 3.08Å
488	S	29.1	Very low	28.2	Very low	111 Å²	111	129.3 Å²	129.3	78%	0.776	73%	0.732	S	S	*	*			trans	-62.9	131.3	172.1	47.2	0	0	0	0	110.4	P490	S488-P490 WeakPolarHBondContact O-CD 3.26Å
489	L	26.3	Very low	27.6	Very low	164 Å²	164	129 Å²	129	86%	0.859	75%	0.745	S	S	*	*			trans	-63.1	123.9	179.8	-71.4	152.2	0	0	0	111.3	T487 S491	T487-L489 PolarHBondContact O-N 3.08Å; L489-S491 PolarHBondContact O-N 3.22Å
490	P	27.5	Very low	27.3	Very low	117 Å²	117	130.7 Å²	130.7	76%	0.76	76%	0.76	S	S	*	*			trans	-79.3	108.4	153.9	31.1	-27.3	0	0	0	108.1	S488 T492	S488-P490 WeakPolarHBondContact O-CD 3.26Å; P490-T492 PolarHBondContact O-N 3.17Å
491	S	23.6	Very low	26.8	Very low	116 Å²	116	126.9 Å²	126.9	81%	0.811	75%	0.754	S	S	*	*			trans	-75.9	108.9	-179.2	55.3	0	0	0	0	111.9	L489	L489-S491 PolarHBondContact O-N 3.22Å
492	T	27.4	Very low	26.7	Very low	134 Å²	134	130.3 Å²	130.3	82%	0.822	77%	0.772	S	S	*	*			trans	-128.8	126.1	160.8	48.1	0	0	0	0	110.7	P490	P490-T492 PolarHBondContact O-N 3.17Å
493	S	23.6	Very low	26.6	Very low	110 Å²	110	128.9 Å²	128.9	77%	0.769	77%	0.769	S	S	*	*			trans	-66.5	146.2	174.7	52.3	0	0	0	0	112.6
494	L	27.3	Very low	26.7	Very low	178 Å²	178	128.8 Å²	128.8	93%	0.932	77%	0.769	S	S	*	*			trans	-160	143.5	134.5	-106.3	169.6	0	0	0	109.5
495	S	22.9	Very low	26.7	Very low	110 Å²	110	136 Å²	136	77%	0.769	79%	0.789	S	S	*	*			trans	-113.2	117.2	-164.7	-55.6	0	0	0	0	113.5
496	S	25.2	Very low	26.7	Very low	108 Å²	108	132.4 Å²	132.4	76%	0.755	78%	0.776	S	S	*	*			trans	-165.3	112.8	153.5	45.2	0	0	0	0	108.3
497	S	23.7	Very low	26.9	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	78%	0.776	S	S	*	*				60.8	81.8	58.9	-56.2	0	0	0	0	113.3
498	F	27.5	Very low	27	Very low	209 Å²	209	133.5 Å²	133.5	92%	0.917	78%	0.776	S	S	*	*			trans	-139.5	112.3	146.1	-101.8	-74.7	0	0	0	110.3
499	T	23.7	Very low	27	Very low	128 Å²	128	132.8 Å²	132.8	79%	0.785	77%	0.771	S	S	*	*			trans	-95.6	133.5	176	47.9	0	0	0	0	110.4
500	V	29.4	Very low	27.3	Very low	152 Å²	152	133.9 Å²	133.9	92%	0.921	77%	0.772	S	S	*	*			trans	-128.1	122.4	157.2	-178.6	0	0	0	0	107.8
501	S	23.3	Very low	27.3	Very low	86 Å²	86	137.6 Å²	137.6	60%	0.601	78%	0.776	S	S	*	*			trans	-131.8	129	-172.2	55.7	0	0	0	0	111
502	N	28.9	Very low	27.5	Very low	151 Å²	151	138 Å²	138	81%	0.807	77%	0.774	S	S	*	*			trans	-162.1	112.1	151.1	-92	-28.5	0	0	0	107.1
503	T	26.5	Very low	27.4	Very low	98 Å²	98	137.2 Å²	137.2	60%	0.601	77%	0.774	S	S	*	*			cis	84.4	139.5	46.5	77.4	0	0	0	0	113.9
504	N	31.5	Very low	27.4	Very low	128 Å²	128	137.5 Å²	137.5	68%	0.684	78%	0.776	S	S	*	*			trans	77.6	140.2	-177.3	-51.7	-75.8	0	0	0	116.1
505	R	28.1	Very low	27.3	Very low	212 Å²	212	135.1 Å²	135.1	80%	0.8	77%	0.768	S	S	*	*			cis	-161.1	119.1	-12.5	-117.1	173.5	-167.8	-131.9	0.4	107.5
506	S	29.5	Very low	27.4	Very low	84 Å²	84	138.6 Å²	138.6	59%	0.587	78%	0.777	S	S	*	*				89.8	144.1	91.2	69.7	0	0	0	0	115.3
507	N	31.5	Very low	27.4	Very low	144 Å²	144	138.7 Å²	138.7	77%	0.77	78%	0.778	S	S	*	*			trans	83	134.8	177.4	-48.7	-19.6	0	0	0	114.2
508	L	30.4	Very low	27.4	Very low	157 Å²	157	141.4 Å²	141.4	82%	0.822	78%	0.783	S	S	*	*			cis	-141	-178.1	-1.2	-150	68.8	0	0	0	111.2
509	S	29.1	Very low	27.3	Very low	95 Å²	95	136.7 Å²	136.7	66%	0.664	78%	0.776	S	S	*	*			trans	-63.2	164.3	-176	54.4	0	0	0	0	114
510	E	32.2	Very low	27.3	Very low	188 Å²	188	137 Å²	137	88%	0.879	78%	0.778	S	S	*	*			cis	-144.2	174.6	40.5	-70.5	-171	138.6	0	0	117.4
511	K	27.3	Very low	27.2	Very low	195 Å²	195	134.6 Å²	134.6	85%	0.848	76%	0.764	S	S	*	*			trans	-50.2	171.1	-170.8	-94.4	167.9	172.6	169.7	0	120.3
512	T	29.5	Very low	27.3	Very low	124 Å²	124	135.1 Å²	135.1	76%	0.761	77%	0.768	S	S	*	*			trans	77.8	86.7	157.6	42.6	0	0	0	0	119.8
513	S	23.4	Very low	27.2	Very low	118 Å²	118	138.4 Å²	138.4	83%	0.825	77%	0.771	S	S	*	*				30.1	106.4	121.4	-47	0	0	0	0	119.8
514	S	24.9	Very low	27.4	Very low	116 Å²	116	140.3 Å²	140.3	81%	0.811	78%	0.777	S	S	*	*				-170.1	154.4	120.9	52.6	0	0	0	0	113.2
515	T	25.7	Very low	27.4	Very low	127 Å²	127	139.7 Å²	139.7	78%	0.779	78%	0.783	S	S	*	*			trans	-23.3	141.4	170.3	45.5	0	0	0	0	119.1	S517	T515-S517 PolarHBondContact O-N 3.4Å
516	L	23.4	Very low	28	Very low	183 Å²	183	133.6 Å²	133.6	96%	0.958	77%	0.772	S	S	*	*			trans	-43	103.2	165.2	-68.6	161.7	0	0	0	112.8	L518	L516-L518 PolarHBondContact O-N 2.85Å
517	S	25.3	Very low	28.8	Very low	111 Å²	111	133.1 Å²	133.1	78%	0.776	76%	0.762	S	S	*	*			trans	-81.3	95.5	177.7	59.2	0	0	0	0	111.2	T515 S519	T515-S517 PolarHBondContact O-N 3.4Å; S517-S519 PolarHBondContact O-N 3.16Å; S517-S519 VanDerWaalsContact O-N 3.13Å
518	L	24.9	Very low	29.4	Very low	163 Å²	163	132.6 Å²	132.6	85%	0.853	76%	0.756	S	S	*	*			trans	-66	108.4	174.3	-163.2	74.7	0	0	0	109.8	L516 T520	L516-L518 PolarHBondContact O-N 2.85Å; L518-T520 PolarHBondContact O-N 2.95Å
519	S	24.6	Very low	30	Very low	110 Å²	110	127.8 Å²	127.8	77%	0.769	74%	0.738	S	S	*	*			trans	-73	99.1	-173.6	40.5	0	0	0	0	112.2	S517 T521	S517-S519 PolarHBondContact O-N 3.16Å; S517-S519 VanDerWaalsContact O-N 3.13Å; S519-T521 PolarHBondContact O-N 2.95Å; S519-T521 VanDerWaalsContact O-N 3.09Å
520	T	23.9	Very low	31	Very low	134 Å²	134	129.3 Å²	129.3	82%	0.822	73%	0.733	S	S	*	*			trans	-71.2	99	-179.7	52	0	0	0	0	112.4	L518	L518-T520 PolarHBondContact O-N 2.95Å
521	T	26.5	Very low	31.6	Very low	103 Å²	103	121.8 Å²	121.8	63%	0.632	70%	0.701	S	S	*	*			trans	-80.7	124	161.7	47.9	0	0	0	0	110	S519 Y523	S519-T521 PolarHBondContact O-N 2.95Å; S519-T521 VanDerWaalsContact O-N 3.09Å; T521-Y523 PolarHBondContact O-N 2.82Å; T521-Y523 VanDerWaalsContact O-N 3.11Å
522	S	25.3	Very low	32.7	Very low	97 Å²	97	117 Å²	117	68%	0.678	68%	0.683	S	S	*	*			trans	-82.3	92	-171	60.5	0	0	0	0	112.3	N524	S522-N524 PolarHBondContact O-N 3.47Å
523	Y	28.2	Very low	33.6	Very low	220 Å²	220	113.7 Å²	113.7	86%	0.863	67%	0.669	S	S	*	*			trans	-70.9	68.9	171.6	-74.7	-82.4	0	0	0	112.4	T521	T521-Y523 PolarHBondContact O-N 2.82Å; T521-Y523 VanDerWaalsContact O-N 3.11Å
524	N	29.8	Very low	35.1	Very low	137 Å²	137	111.5 Å²	111.5	73%	0.733	65%	0.647	S	S	*	*			trans	-83.1	148.6	170.7	-76.4	-46.5	0	0	0	111.1	S522	S522-N524 PolarHBondContact O-N 3.47Å
525	S	32.1	Very low	36.4	Very low	115 Å²	115	110.4 Å²	110.4	80%	0.804	63%	0.631	S	S	*	*			trans	61.7	61.4	169.6	-165.4	0	0	0	0	116.8	D527	S525-D527 PolarHBondContact O-N 3.21Å
526	C	39.8	Very low	37.8	Very low	84 Å²	84	107.7 Å²	107.7	57%	0.568	62%	0.615	S	S	*	*			trans	-68.5	109.3	156.4	-172.1	0	0	0	0	109.2
527	D	47.6	Very low	38.8	Very low	74 Å²	74	100.8 Å²	100.8	40%	0.396	59%	0.585	S	S	.	*			trans	-66.4	127.4	-172.5	-177.6	3.9	0	0	0	112.6	S525 A529 K530 C531	S525-D527 PolarHBondContact O-N 3.21Å; D527-A529 PolarHBondContact O-N 2.78Å; D527-A529 WeakPolarHBondContact OD1-CB 3.36Å; D527-A529 PolarHBondContact OD1-N 3.25Å; D527-K530 HydrophobicContact CB-CB 4.49Å; D527-K530 HydrophobicContact CB-CD 4.18Å; D527-K530 HydrophobicContact CB-CG 4.05Å; D527-K530 PolarHBondContact O-N 2.89Å; D527-K530 VanDerWaalsContact O-N 3.15Å; D527-C531 PolarHBondContact O-N 2.83Å
528	E	42.7	Very low	39.8	Very low	134 Å²	134	102.4 Å²	102.4	63%	0.626	58%	0.577	S	S	*	*	H	α-helix	trans	-61.9	-32.9	-179.9	-174.4	167	-158.6	0	0	111.4	K530 C531 I532	E528-K530 VanDerWaalsContact C-N 3.34Å; E528-K530 PolarHBondContact O-N 3.33Å; E528-C531 WeakPolarHBondContact O-CB 3.28Å; E528-C531 PolarHBondContact O-N 3.04Å; E528-I532 HydrophobicContact CG-CD1 4Å; E528-I532 HydrophobicContact CG-CG1 4.49Å; E528-I532 WeakPolarHBondContact O-CG1 3.26Å; E528-I532 PolarHBondContact O-N 2.89Å
529	A	43.7	Very low	40.5	Very low	55 Å²	55	96 Å²	96	46%	0.455	55%	0.549	S	S	.	.	H	α-helix	trans	-61.8	-40.1	175.8	0	0	0	0	0	112.3	D527 C531 I532 A533	D527-A529 PolarHBondContact O-N 2.78Å; D527-A529 WeakPolarHBondContact OD1-CB 3.36Å; D527-A529 PolarHBondContact OD1-N 3.25Å; A529-C531 VanDerWaalsContact C-N 3.33Å; A529-C531 PolarHBondContact O-N 3Å; A529-I532 PolarHBondContact O-N 2.99Å; A529-A533 WeakPolarHBondContact O-CB 3.42Å; A529-A533 PolarHBondContact O-N 3.44Å
530	K	49.8	Very low	41.6	Very low	127 Å²	127	94.6 Å²	94.6	55%	0.552	54%	0.535	S	S	*	.	H	α-helix	trans	-63.9	-39.9	176	-64.8	-176.1	-179.5	-170.9	0	111.2	D527 E528 A533 I534	D527-K530 HydrophobicContact CB-CB 4.49Å; D527-K530 HydrophobicContact CB-CD 4.18Å; D527-K530 HydrophobicContact CB-CG 4.05Å; D527-K530 PolarHBondContact O-N 2.89Å; D527-K530 VanDerWaalsContact O-N 3.15Å; E528-K530 VanDerWaalsContact C-N 3.34Å; E528-K530 PolarHBondContact O-N 3.33Å; K530-A533 PolarHBondContact O-N 2.97Å; K530-I534 WeakPolarHBondContact O-CG1 3.19Å; K530-I534 PolarHBondContact O-N 3.17Å; K530-I534 VanDerWaalsContact O-N 3.13Å
531	C	46.2	Very low	42.6	Very low	31 Å²	31	93 Å²	93	21%	0.209	53%	0.525	C	S	.	.	H	α-helix	trans	-65.4	-43.8	176.9	-60.5	0	0	0	0	112	D527 E528 A529 I534 L535	D527-C531 PolarHBondContact O-N 2.83Å; E528-C531 WeakPolarHBondContact O-CB 3.28Å; E528-C531 PolarHBondContact O-N 3.04Å; A529-C531 VanDerWaalsContact C-N 3.33Å; A529-C531 PolarHBondContact O-N 3Å; C531-I534 PolarHBondContact O-N 3.21Å; C531-L535 WeakPolarHBondContact O-CG 3.27Å; C531-L535 PolarHBondContact O-N 3.33Å; C531-L535 VanDerWaalsContact O-N 3.13Å
532	I	49.3	Very low	43.2	Very low	93 Å²	93	92.2 Å²	92.2	48%	0.477	51%	0.51	S	S	.	.	H	α-helix	trans	-63.9	-41.3	176.3	-68.7	167.8	0	0	0	111.3	E528 A529 L535 T536	E528-I532 HydrophobicContact CG-CD1 4Å; E528-I532 HydrophobicContact CG-CG1 4.49Å; E528-I532 WeakPolarHBondContact O-CG1 3.26Å; E528-I532 PolarHBondContact O-N 2.89Å; A529-I532 PolarHBondContact O-N 2.99Å; I532-L535 PolarHBondContact O-N 3.05Å; I532-T536 WeakPolarHBondContact O-CB 3.39Å; I532-T536 PolarHBondContact O-N 3.39Å; I532-T536 PolarHBondContact O-OG1 3.41Å
533	A	49.4	Very low	43.8	Very low	55 Å²	55	91.3 Å²	91.3	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-60.2	-46.7	177.3	0	0	0	0	0	112	A529 K530 L535 T536 A537	A529-A533 WeakPolarHBondContact O-CB 3.42Å; A529-A533 PolarHBondContact O-N 3.44Å; K530-A533 PolarHBondContact O-N 2.97Å; A533-L535 PolarHBondContact O-N 3.5Å; A533-T536 PolarHBondContact O-N 3.23Å; A533-A537 WeakPolarHBondContact O-CB 3.45Å; A533-A537 PolarHBondContact O-N 3.11Å
534	I	54.3	Low	44.3	Very low	72 Å²	72	91.2 Å²	91.2	37%	0.369	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-41.4	177.6	-67.4	167	0	0	0	111.5	K530 C531 A537 K538 I654	K530-I534 WeakPolarHBondContact O-CG1 3.19Å; K530-I534 PolarHBondContact O-N 3.17Å; K530-I534 VanDerWaalsContact O-N 3.13Å; C531-I534 PolarHBondContact O-N 3.21Å; I534-A537 PolarHBondContact O-N 2.88Å; I534-K538 PolarHBondContact O-N 3.15Å; I534-I654 HydrophobicContact CD1-CG2 4.24Å; I534-I654 HydrophobicContact CG1-CG2 3.99Å
535	L	52.7	Low	44.8	Very low	93 Å²	93	87 Å²	87	49%	0.487	48%	0.48	S	S	.	.	H	α-helix	trans	-64.9	-39.4	175.9	-72.2	169.6	0	0	0	112	C531 I532 A533 K538 A539	C531-L535 WeakPolarHBondContact O-CG 3.27Å; C531-L535 PolarHBondContact O-N 3.33Å; C531-L535 VanDerWaalsContact O-N 3.13Å; I532-L535 PolarHBondContact O-N 3.05Å; A533-L535 PolarHBondContact O-N 3.5Å; L535-K538 PolarHBondContact O-N 3.23Å; L535-A539 WeakPolarHBondContact O-CB 3.48Å; L535-A539 PolarHBondContact O-N 3.06Å
536	T	55.3	Low	45.2	Very low	70 Å²	70	85.7 Å²	85.7	43%	0.429	46%	0.464	S	S	.	.	H	α-helix	trans	-70.5	-37.7	177.5	-61.1	0	0	0	0	111.8	I532 A533 A539 T540	I532-T536 WeakPolarHBondContact O-CB 3.39Å; I532-T536 PolarHBondContact O-N 3.39Å; I532-T536 PolarHBondContact O-OG1 3.41Å; A533-T536 PolarHBondContact O-N 3.23Å; T536-A539 PolarHBondContact O-N 3.34Å; T536-T540 HydrophobicContact CG2-CG2 4.45Å; T536-T540 WeakPolarHBondContact O-CB 3.42Å; T536-T540 WeakPolarHBondContact O-CG2 3.37Å; T536-T540 PolarHBondContact O-N 2.89Å; T536-T540 PolarHBondContact O-OG1 2.87Å
537	A	44.5	Very low	45	Very low	39 Å²	39	88 Å²	88	32%	0.322	47%	0.47	S	S	.	.	H	α-helix	trans	-60.8	-49	172.2	0	0	0	0	0	111.3	A533 I534 A539 T540 V541	A533-A537 WeakPolarHBondContact O-CB 3.45Å; A533-A537 PolarHBondContact O-N 3.11Å; I534-A537 PolarHBondContact O-N 2.88Å; A537-A539 PolarHBondContact O-N 3.34Å; A537-T540 PolarHBondContact O-N 3.47Å; A537-T540 PolarHBondContact O-OG1 2.99Å; A537-V541 WeakPolarHBondContact O-CG2 3.42Å; A537-V541 PolarHBondContact O-N 3.17Å
538	K	46.2	Very low	44.3	Very low	144 Å²	144	89.8 Å²	89.8	63%	0.626	49%	0.486	S	S	*	.	H	α-helix	trans	-58.8	-45.7	174	-78.1	-172.4	172.8	-176.9	0	112.4	I534 L535 T540 V541 W542	I534-K538 PolarHBondContact O-N 3.15Å; L535-K538 PolarHBondContact O-N 3.23Å; K538-T540 PolarHBondContact O-N 3.28Å; K538-V541 PolarHBondContact O-N 3.29Å; K538-W542 WeakPolarHBondContact O-CB 3.29Å; K538-W542 PolarHBondContact O-N 2.85Å
539	A	39.1	Very low	43.9	Very low	30 Å²	30	89.5 Å²	89.5	25%	0.248	49%	0.493	C	S	.	.	H	α-helix	trans	-63.7	-39.4	179.7	0	0	0	0	0	112.8	L535 T536 A537 W542 N543	L535-A539 WeakPolarHBondContact O-CB 3.48Å; L535-A539 PolarHBondContact O-N 3.06Å; T536-A539 PolarHBondContact O-N 3.34Å; A537-A539 PolarHBondContact O-N 3.34Å; A539-W542 PolarHBondContact O-N 3.26Å; A539-N543 PolarHBondContact O-N 3.46Å; A539-N543 PolarHBondContact O-ND2 3.18Å
540	T	48	Very low	43.3	Very low	79 Å²	79	92.9 Å²	92.9	49%	0.485	51%	0.508	S	S	.	.	H	α-helix	trans	-73	-37.2	179.6	47.8	0	0	0	0	112.9	T536 A537 K538 R544	T536-T540 HydrophobicContact CG2-CG2 4.45Å; T536-T540 WeakPolarHBondContact O-CB 3.42Å; T536-T540 WeakPolarHBondContact O-CG2 3.37Å; T536-T540 PolarHBondContact O-N 2.89Å; T536-T540 PolarHBondContact O-OG1 2.87Å; A537-T540 PolarHBondContact O-N 3.47Å; A537-T540 PolarHBondContact O-OG1 2.99Å; K538-T540 PolarHBondContact O-N 3.28Å; T540-R544 PolarHBondContact O-N 3.28Å; T540-R544 VanDerWaalsContact O-N 3.17Å
541	V	45.2	Very low	42.5	Very low	101 Å²	101	91.6 Å²	91.6	61%	0.612	52%	0.515	S	S	*	.	H	α-helix	trans	-61.5	-45.7	169.9	171.3	0	0	0	0	110.9	A537 K538 R544 A545	A537-V541 WeakPolarHBondContact O-CG2 3.42Å; A537-V541 PolarHBondContact O-N 3.17Å; K538-V541 PolarHBondContact O-N 3.29Å; V541-R544 PolarHBondContact O-N 3.21Å; V541-A545 PolarHBondContact O-N 2.78Å
542	W	38	Very low	41.8	Very low	86 Å²	86	95.9 Å²	95.9	33%	0.326	54%	0.541	S	S	.	.	H	α-helix	trans	-65.9	-40.9	-178.6	-163.7	14.9	0	0	0	112.3	E178 L182 L185 K538 A539 R544 A545	E178-W542 WeakPolarHBondContact O-CZ2 3.4Å; L182-W542 HydrophobicContact CD2-CE3 3.65Å; L182-W542 HydrophobicContact CD2-CZ3 3.62Å; L185-W542 HydrophobicContact CD1-CH2 4.14Å; L185-W542 HydrophobicContact CD1-CZ3 3.88Å; K538-W542 WeakPolarHBondContact O-CB 3.29Å; K538-W542 PolarHBondContact O-N 2.85Å; A539-W542 PolarHBondContact O-N 3.26Å; W542-R544 VanDerWaalsContact C-N 3.33Å; W542-R544 PolarHBondContact O-N 3.46Å; W542-A545 WeakPolarHBondContact O-CB 3.17Å; W542-A545 PolarHBondContact O-N 3.28Å; W542-A545 VanDerWaalsContact O-N 3.08Å
543	N	38.9	Very low	40.9	Very low	78 Å²	78	96.4 Å²	96.4	42%	0.417	55%	0.552	S	S	.	*	H	α-helix	trans	-60.3	-38.6	172.8	-83.2	-76.3	0	0	0	112.9	L182 A539 A545 L546	L182-N543 WeakPolarHBondContact CD1-ND2 3.44Å; A539-N543 PolarHBondContact O-N 3.46Å; A539-N543 PolarHBondContact O-ND2 3.18Å; N543-A545 PolarHBondContact O-N 3Å; N543-L546 PolarHBondContact O-N 3.37Å; N543-L546 VanDerWaalsContact O-N 3.16Å
544	R	37.9	Very low	39.9	Very low	219 Å²	219	100 Å²	100	83%	0.826	57%	0.569	S	S	*	*	H	α-helix	trans	-65.2	-24.7	175.3	-87.6	-179.8	157.1	171.4	-8.3	113	T540 V541 W542 L546	T540-R544 PolarHBondContact O-N 3.28Å; T540-R544 VanDerWaalsContact O-N 3.17Å; V541-R544 PolarHBondContact O-N 3.21Å; W542-R544 VanDerWaalsContact C-N 3.33Å; W542-R544 PolarHBondContact O-N 3.46Å; R544-L546 VanDerWaalsContact C-N 3.32Å
545	A	41.2	Very low	38.8	Very low	48 Å²	48	102 Å²	102	40%	0.397	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.6	0.4	175.1	0	0	0	0	0	114.4	V541 W542 N543 R641	V541-A545 PolarHBondContact O-N 2.78Å; W542-A545 WeakPolarHBondContact O-CB 3.17Å; W542-A545 PolarHBondContact O-N 3.28Å; W542-A545 VanDerWaalsContact O-N 3.08Å; N543-A545 PolarHBondContact O-N 3Å; A545-R641 VanDerWaalsContact O-CZ 3.3Å; A545-R641 PolarHBondContact O-NH1 3.21Å; A545-R641 PolarHBondContact O-NH2 2.9Å
546	L	39.6	Very low	37.5	Very low	87 Å²	87	102.1 Å²	102.1	46%	0.455	60%	0.599	S	S	.	*	S	Bend	trans	-106.3	-10.3	-178.6	-68.9	171.7	0	0	0	114	N543 R544	N543-L546 PolarHBondContact O-N 3.37Å; N543-L546 VanDerWaalsContact O-N 3.16Å; R544-L546 VanDerWaalsContact C-N 3.32Å
547	L	35.5	Very low	36.4	Very low	133 Å²	133	104.9 Å²	104.9	70%	0.696	62%	0.616	S	S	*	*	S	Bend	trans	-88.4	124.4	174.2	-75.6	163.1	0	0	0	110.4	T549	L547-T549 PolarHBondContact O-N 3.21Å
548	P	33.5	Very low	35.7	Very low	112 Å²	112	108.2 Å²	108.2	73%	0.727	64%	0.637	S	S	*	*			trans	-62.9	122.1	167.5	-18.9	32.1	0	0	0	109.7	T550	P548-T550 PolarHBondContact O-N 3.43Å
549	T	33.9	Very low	34.8	Very low	128 Å²	128	106.4 Å²	106.4	79%	0.785	64%	0.643	S	S	*	*			trans	-74.5	92.1	173.3	49.2	0	0	0	0	109.5	L547 S551	L547-T549 PolarHBondContact O-N 3.21Å; T549-S551 PolarHBondContact O-N 3.05Å
550	T	31.4	Very low	34.3	Very low	126 Å²	126	113.5 Å²	113.5	77%	0.773	68%	0.675	S	S	*	*			trans	-69.4	77.8	163.9	52.8	0	0	0	0	108.8	P548 T552	P548-T550 PolarHBondContact O-N 3.43Å; T550-T552 PolarHBondContact O-N 3.2Å
551	S	32.8	Very low	33.2	Very low	99 Å²	99	114.2 Å²	114.2	69%	0.692	68%	0.684	S	S	*	*			trans	-74.9	87.2	-179.8	53.4	0	0	0	0	110.2	T549 S553	T549-S551 PolarHBondContact O-N 3.05Å; S551-S553 PolarHBondContact O-N 3.26Å
552	T	30.9	Very low	32.5	Very low	122 Å²	122	115.7 Å²	115.7	75%	0.748	69%	0.693	S	S	*	*			trans	-64.8	97.9	169.6	-51.4	0	0	0	0	109	T550 T554	T550-T552 PolarHBondContact O-N 3.2Å; T552-T554 PolarHBondContact O-N 3.39Å
553	S	30.2	Very low	32	Very low	103 Å²	103	116.5 Å²	116.5	72%	0.72	71%	0.712	S	S	*	*			trans	-76	88.5	-178.3	54.7	0	0	0	0	111.1	S551 T555	S551-S553 PolarHBondContact O-N 3.26Å; S553-T555 VanDerWaalsContact C-N 3.33Å; S553-T555 PolarHBondContact O-N 2.91Å
554	T	29.6	Very low	31.7	Very low	131 Å²	131	121.2 Å²	121.2	80%	0.804	73%	0.731	S	S	*	*			trans	-76.9	84	168.7	51.4	0	0	0	0	109.8	T552 A556	T552-T554 PolarHBondContact O-N 3.39Å; T554-A556 PolarHBondContact O-N 3.19Å
555	T	30.9	Very low	31.2	Very low	113 Å²	113	120.3 Å²	120.3	69%	0.693	73%	0.733	S	S	*	*			trans	-63.7	124.7	172.7	-51	0	0	0	0	109.8	S553 T557	S553-T555 VanDerWaalsContact C-N 3.33Å; S553-T555 PolarHBondContact O-N 2.91Å; T555-T557 HydrophobicContact CG2-CG2 4.45Å
556	A	25.7	Very low	30.7	Very low	97 Å²	97	123.4 Å²	123.4	80%	0.802	75%	0.752	S	S	*	*			trans	-79.6	127	171	0	0	0	0	0	110	T554	T554-A556 PolarHBondContact O-N 3.19Å
557	T	30.7	Very low	30.2	Very low	128 Å²	128	126.7 Å²	126.7	79%	0.785	77%	0.765	S	S	*	*			trans	-126.6	114.3	171.2	51.2	0	0	0	0	109.3	T555	T555-T557 HydrophobicContact CG2-CG2 4.45Å
558	S	29.9	Very low	30	Very low	109 Å²	109	126.4 Å²	126.4	76%	0.762	76%	0.764	S	S	*	*			trans	-75.6	144.5	176.9	48.9	0	0	0	0	112.1
559	S	27	Very low	29.8	Very low	106 Å²	106	124.6 Å²	124.6	74%	0.741	75%	0.754	S	S	*	*			trans	43.6	102.4	147.8	61.6	0	0	0	0	118.9
560	L	29.1	Very low	29.6	Very low	178 Å²	178	128 Å²	128	93%	0.932	75%	0.753	S	S	*	*				-146	159.2	124.7	-144.1	65.2	0	0	0	110.8
561	S	25.9	Very low	29.5	Very low	95 Å²	95	130.3 Å²	130.3	66%	0.664	75%	0.753	S	S	*	*			trans	-113.2	-178.9	-168.2	55.1	0	0	0	0	112.5
562	T	28.8	Very low	29.1	Very low	131 Å²	131	131.9 Å²	131.9	80%	0.804	76%	0.759	S	S	*	*			trans	81.5	106	167.3	68.1	0	0	0	0	119.7
563	S	28.3	Very low	29	Very low	104 Å²	104	130.5 Å²	130.5	73%	0.727	76%	0.76	S	S	*	*				61.3	103.4	118.7	-158.2	0	0	0	0	121.2
564	Q	33.5	Very low	28.9	Very low	176 Å²	176	132.1 Å²	132.1	82%	0.822	76%	0.76	S	S	*	*				174.8	126.8	116.5	-89.6	165.2	36.5	0	0	108
565	K	26.3	Very low	28.9	Very low	200 Å²	200	133.2 Å²	133.2	87%	0.87	76%	0.761	S	S	*	*				45.7	125	86.4	-70.9	-175.2	177	179.8	0	112.6
566	S	30.8	Very low	28.9	Very low	113 Å²	113	135.1 Å²	135.1	79%	0.79	77%	0.767	S	S	*	*			cis	-152.7	-171.7	3.6	53.6	0	0	0	0	108.4
567	H	29.9	Very low	29.1	Very low	156 Å²	156	138.8 Å²	138.8	72%	0.722	77%	0.768	S	S	*	*			cis	-163	161.7	18.1	-160.5	-138.7	0	0	0	110
568	L	30.7	Very low	29.2	Very low	128 Å²	128	139.2 Å²	139.2	67%	0.67	77%	0.765	S	S	*	*			trans	66.5	117.8	173.3	-51.1	170.8	0	0	0	115.3
569	S	29.3	Very low	29.2	Very low	74 Å²	74	140.4 Å²	140.4	52%	0.517	76%	0.763	S	S	.	*			cis	63.6	135.6	33	83.6	0	0	0	0	113.7
570	Y	30.4	Very low	29.3	Very low	199 Å²	199	142.1 Å²	142.1	78%	0.78	76%	0.764	S	S	*	*			cis	-144.3	164.5	34.3	-79	-106.2	0	0	0	111.9
571	F	28.2	Very low	29.2	Very low	174 Å²	174	144.8 Å²	144.8	76%	0.763	76%	0.761	S	S	*	*			cis	-162.2	164	-28.1	-131.3	-97.1	0	0	0	107.7
572	T	24.9	Very low	29.3	Very low	132 Å²	132	145.9 Å²	145.9	81%	0.81	76%	0.759	S	S	*	*			trans	-116.3	135	-176.8	51.3	0	0	0	0	114.5
573	A	29	Very low	29.3	Very low	94 Å²	94	147.8 Å²	147.8	78%	0.777	76%	0.756	S	S	*	*			trans	-155.1	123.6	152.3	0	0	0	0	0	106.9
574	N	27.2	Very low	29.4	Very low	137 Å²	137	150.2 Å²	150.2	73%	0.733	75%	0.754	S	S	*	*			cis	66.1	110	39.9	-165.6	26	0	0	0	113.9
575	N	30.2	Very low	29.4	Very low	153 Å²	153	146.7 Å²	146.7	82%	0.818	74%	0.741	S	S	*	*			trans	-166.9	113.1	156	-101.1	-30.3	0	0	0	110.4
576	N	31	Very low	29.7	Very low	154 Å²	154	144.3 Å²	144.3	82%	0.824	73%	0.733	S	S	*	*			trans	-84	142.6	165.4	-79.5	-38.8	0	0	0	109.7
577	H	30.8	Very low	29.7	Very low	174 Å²	174	145.3 Å²	145.3	81%	0.806	73%	0.729	S	S	*	*			trans	-80.4	129.2	166.3	-95.3	33.8	0	0	0	110.9
578	N	31.1	Very low	29.8	Very low	137 Å²	137	145.3 Å²	145.3	73%	0.733	73%	0.729	S	S	*	*				173.2	148.7	113.7	-88.5	-28.3	0	0	0	112.5
579	N	29.8	Very low	29.6	Very low	134 Å²	134	147.5 Å²	147.5	72%	0.717	73%	0.734	S	S	*	*			trans	62.3	112.1	161.8	-52.5	-18.6	0	0	0	115.5
580	N	30	Very low	29.6	Very low	142 Å²	142	151 Å²	151	76%	0.759	75%	0.747	S	S	*	*			cis	-167.5	160.4	34.5	-86.5	-51.8	0	0	0	111.8
581	R	27.7	Very low	29.3	Very low	233 Å²	233	149.2 Å²	149.2	88%	0.879	75%	0.748	S	S	*	*			trans	68.1	144	157.2	-76.3	179.8	-179.4	-167.1	-0.5	117.2
582	L	27.4	Very low	29.2	Very low	118 Å²	118	145 Å²	145	62%	0.618	74%	0.74	S	S	*	*			cis	-168.2	137.4	-10.6	-175.5	71.9	0	0	0	109.4
583	F	28.6	Very low	29.2	Very low	171 Å²	171	143.4 Å²	143.4	75%	0.75	73%	0.734	S	S	*	*			trans	62.5	161.3	174	-58.1	-37.3	0	0	0	115.2
584	K	31.2	Very low	29	Very low	156 Å²	156	149.6 Å²	149.6	68%	0.678	74%	0.739	S	S	*	*			cis	-165.6	160	-20.4	-102.5	-176.5	150.6	-73.9	0	104.8
585	D	33.4	Very low	29.1	Very low	102 Å²	102	150.9 Å²	150.9	55%	0.545	74%	0.74	S	S	.	*			cis	-147.6	134.1	2.2	-102.6	-29.4	0	0	0	107.7
586	E	31.2	Very low	28.8	Very low	150 Å²	150	149 Å²	149	70%	0.701	74%	0.739	S	S	*	*				81	135	103.3	-62.5	-84.3	105	0	0	116.8
587	N	31.5	Very low	28.7	Very low	133 Å²	133	148.4 Å²	148.4	71%	0.711	73%	0.731	S	S	*	*			trans	73.8	139.2	157	-54	-22.3	0	0	0	120.4
588	E	32	Very low	28.5	Very low	156 Å²	156	148 Å²	148	73%	0.729	74%	0.735	S	S	*	*			cis	-157.4	-178.9	-17	-118.7	-160.7	134.7	0	0	111.8
589	F	26.1	Very low	28.3	Very low	174 Å²	174	149.5 Å²	149.5	76%	0.763	74%	0.735	S	S	*	*			trans	-41.5	165.5	173.8	-65.2	-88.8	0	0	0	116.4
590	N	30.1	Very low	28.1	Very low	149 Å²	149	149 Å²	149	80%	0.797	74%	0.739	S	S	*	*			cis	-158.8	176.5	33.1	-147.1	-19	0	0	0	115.3
591	M	23.5	Very low	28.1	Very low	160 Å²	160	149.1 Å²	149.1	79%	0.788	74%	0.739	S	S	*	*			trans	-89.8	156.4	-176.3	-161.2	-168.7	78.9	0	0	113.5
592	S	25.6	Very low	28.2	Very low	87 Å²	87	144 Å²	144	61%	0.608	73%	0.733	S	S	*	*			trans	129.5	160.3	130.9	78	0	0	0	0	117.4
593	S	26.9	Very low	28.2	Very low	98 Å²	98	145.3 Å²	145.3	69%	0.685	74%	0.741	S	S	*	*			trans	85.2	112.3	150.4	-55.1	0	0	0	0	119.9
594	Y	24.7	Very low	28.3	Very low	223 Å²	223	142 Å²	142	88%	0.875	73%	0.731	S	S	*	*			trans	4.2	124.8	146.4	-57.7	-93.5	0	0	0	119.1
595	Q	28.4	Very low	28.3	Very low	164 Å²	164	139.3 Å²	139.3	77%	0.766	73%	0.732	S	S	*	*				-154.3	134.4	126.4	-158.4	74.5	-13.1	0	0	109.8
596	S	24.8	Very low	28.1	Very low	113 Å²	113	143.3 Å²	143.3	79%	0.79	75%	0.75	S	S	*	*			trans	-83.1	119.8	176.6	54.1	0	0	0	0	111.4
597	H	29.1	Very low	28.1	Very low	143 Å²	143	142.7 Å²	142.7	66%	0.662	75%	0.749	S	S	*	*			trans	-126.5	120	169.2	-86.9	-86.8	0	0	0	111.9	F599	H597-F599 HydrophobicContact CB-CD2 4.41Å; H597-F599 HydrophobicContact CB-CE2 4.25Å; H597-F599 PolarHBondContact O-N 3.12Å
598	N	25.6	Very low	28.2	Very low	166 Å²	166	144.5 Å²	144.5	89%	0.888	75%	0.745	S	S	*	*			trans	-71.6	123.5	172.7	-67.3	-49.6	0	0	0	109.9
599	F	27.1	Very low	28.2	Very low	167 Å²	167	147.7 Å²	147.7	73%	0.732	75%	0.752	S	S	*	*			trans	-125.4	120.3	166.4	-86.6	-82.3	0	0	0	110.1	H597 I601	H597-F599 HydrophobicContact CB-CD2 4.41Å; H597-F599 HydrophobicContact CB-CE2 4.25Å; H597-F599 PolarHBondContact O-N 3.12Å; F599-I601 HydrophobicContact CB-CG1 4.46Å; F599-I601 PolarHBondContact O-N 3.12Å
600	P	25.6	Very low	28.5	Very low	123 Å²	123	147.5 Å²	147.5	80%	0.799	75%	0.753	S	S	*	*			trans	-80	104	176	31.3	-31.5	0	0	0	109.8
601	I	29.3	Very low	28.6	Very low	146 Å²	146	146.2 Å²	146.2	75%	0.749	75%	0.747	S	S	*	*			trans	-110.7	85.9	175.9	-54.5	-178.2	0	0	0	109.7	F599	F599-I601 HydrophobicContact CB-CG1 4.46Å; F599-I601 PolarHBondContact O-N 3.12Å
602	T	30	Very low	29	Very low	125 Å²	125	145.7 Å²	145.7	77%	0.767	75%	0.747	S	S	*	*			trans	-66.3	122.8	153.6	48.5	0	0	0	0	108.6
603	N	28.5	Very low	29.3	Very low	145 Å²	145	148.5 Å²	148.5	78%	0.775	76%	0.755	S	S	*	*			trans	-162.3	92.7	150.9	-100.4	-28.1	0	0	0	113.3	S605	N603-S605 PolarHBondContact O-N 2.85Å
604	D	30.3	Very low	29.4	Very low	102 Å²	102	154.2 Å²	154.2	55%	0.545	76%	0.763	S	S	.	*			trans	-36.1	82.2	155.6	173.7	35.4	0	0	0	114.9	R608	D604-R608 IonicContact OD1-NE 3.62Å; D604-R608 IonicContact OD2-CZ 3.38Å; D604-R608 IonicContact OD2-NE 3.27Å; D604-R608 PolarHBondContact OD2-NE 3.26Å; D604-R608 IonicContact OD2-NH2 2.67Å; D604-R608 PolarHBondContact OD2-NH2 2.85Å
605	S	31.3	Very low	29.6	Very low	100 Å²	100	150.1 Å²	150.1	70%	0.699	76%	0.763	S	S	*	*			trans	-130.9	-40	177.3	-166.8	0	0	0	0	113.5	N603 M607	N603-S605 PolarHBondContact O-N 2.85Å; S605-M607 PolarHBondContact O-N 2.84Å
606	M	28.5	Very low	29.5	Very low	185 Å²	185	152.8 Å²	152.8	91%	0.911	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	0.8	-174.4	-154.3	160.4	69.4	0	0	115.1
607	M	31.8	Very low	29.7	Very low	138 Å²	138	156.1 Å²	156.1	68%	0.68	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-2.9	-178.6	-76.8	-67.5	-71.9	0	0	114.6	S605 N611	S605-M607 PolarHBondContact O-N 2.84Å; M607-N611 PolarHBondContact O-ND2 2.83Å
608	R	33.6	Very low	29.6	Very low	170 Å²	170	153.9 Å²	153.9	64%	0.642	77%	0.769	S	S	*	*	S	Bend	trans	-87.3	-9.2	-172	-64	-174.5	178.7	-162.9	1.5	115.2	D604	D604-R608 IonicContact OD1-NE 3.62Å; D604-R608 IonicContact OD2-CZ 3.38Å; D604-R608 IonicContact OD2-NE 3.27Å; D604-R608 PolarHBondContact OD2-NE 3.26Å; D604-R608 IonicContact OD2-NH2 2.67Å; D604-R608 PolarHBondContact OD2-NH2 2.85Å
609	Y	31.7	Very low	29.6	Very low	223 Å²	223	156 Å²	156	88%	0.875	77%	0.765	S	S	*	*	S	Bend	trans	-94.7	-12.1	-175.9	-120.6	-85	0	0	0	115.7
610	H	31.6	Very low	29.5	Very low	170 Å²	170	152.5 Å²	152.5	79%	0.787	76%	0.762	S	S	*	*	S	Bend	trans	-98.1	-3.9	-175.9	-91.4	-77.8	0	0	0	115.4	N612	H610-N612 PolarHBondContact O-N 3.34Å
611	N	33.2	Very low	29.6	Very low	123 Å²	123	154.8 Å²	154.8	66%	0.658	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	6.5	-167.7	-69.2	-23.4	0	0	0	116	M607	M607-N611 PolarHBondContact O-ND2 2.83Å
612	N	30.6	Very low	29.6	Very low	148 Å²	148	155.2 Å²	155.2	79%	0.791	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	12.4	-171.5	-75.3	-15.3	0	0	0	115.5	H610	H610-N612 PolarHBondContact O-N 3.34Å
613	L	32	Very low	29.5	Very low	147 Å²	147	154.6 Å²	154.6	77%	0.77	76%	0.76	S	S	*	*	S	Bend	trans	-131.9	119.4	175.6	-71.1	171.6	0	0	0	111.2
614	Y	30.2	Very low	29.4	Very low	218 Å²	218	154.1 Å²	154.1	86%	0.855	76%	0.758	S	S	*	*			trans	68.5	100.5	-179.3	-62.1	-81	0	0	0	117.1	Y616	Y614-Y616 PolarHBondContact O-N 3.22Å
615	P	27.7	Very low	29.3	Very low	137 Å²	137	156.7 Å²	156.7	89%	0.89	77%	0.771	S	S	*	*			trans	-81.5	97.5	176.4	32.6	-33.6	0	0	0	112
616	Y	26.6	Very low	29.1	Very low	219 Å²	219	159.9 Å²	159.9	86%	0.859	78%	0.78	S	S	*	*			trans	-94.5	106	169.9	-153.9	-89.7	0	0	0	110.6	Y614 S618	Y614-Y616 PolarHBondContact O-N 3.22Å; Y616-S618 PolarHBondContact O-N 3.15Å
617	K	29.8	Very low	29.3	Very low	184 Å²	184	156 Å²	156	80%	0.8	77%	0.767	S	S	*	*			trans	-70.7	95.1	177.2	-87.1	-172.1	172.3	-177.4	0	111.2	Y619	K617-Y619 PolarHBondContact O-N 2.91Å; K617-Y619 VanDerWaalsContact O-N 3.15Å
618	S	26.1	Very low	29	Very low	96 Å²	96	156.8 Å²	156.8	67%	0.671	77%	0.774	S	S	*	*			trans	-72.7	95.7	168.4	53.2	0	0	0	0	111.2	Y616 S620	Y616-S618 PolarHBondContact O-N 3.15Å; S618-S620 PolarHBondContact O-N 2.99Å
619	Y	25.7	Very low	28.9	Very low	209 Å²	209	157 Å²	157	82%	0.82	78%	0.78	S	S	*	*			trans	-80.7	100	167.2	-112.5	-87.8	0	0	0	109.5	K617	K617-Y619 PolarHBondContact O-N 2.91Å; K617-Y619 VanDerWaalsContact O-N 3.15Å
620	S	26.4	Very low	28.9	Very low	95 Å²	95	153 Å²	153	66%	0.664	77%	0.773	S	S	*	*			trans	-148.2	60.8	-179.3	62	0	0	0	0	112.4	S618	S618-S620 PolarHBondContact O-N 2.99Å
621	Q	26.8	Very low	29.2	Very low	171 Å²	171	149.4 Å²	149.4	80%	0.799	77%	0.766	S	S	*	*			trans	-159.9	162	169.9	-103.5	154.5	16	0	0	108.3
622	I	28.9	Very low	29.2	Very low	154 Å²	154	152.5 Å²	152.5	79%	0.79	78%	0.776	S	S	*	*			trans	67.1	91.1	-157.9	-46.1	168	0	0	0	108.9
623	V	27.4	Very low	29.5	Very low	113 Å²	113	153.2 Å²	153.2	69%	0.685	78%	0.779	S	S	*	*			cis	62.8	105.8	37	-170.7	0	0	0	0	112.4
624	N	27.1	Very low	29.9	Very low	135 Å²	135	155.2 Å²	155.2	72%	0.722	78%	0.781	S	S	*	*			trans	59.3	91.3	168.1	-56.5	-10.7	0	0	0	117.3
625	N	27.8	Very low	30.2	Very low	155 Å²	155	150.6 Å²	150.6	83%	0.829	78%	0.778	S	S	*	*				175.4	162.6	114.4	-86.7	-29.3	0	0	0	112.5	V627	N625-V627 PolarHBondContact O-N 3.15Å; N625-V627 VanDerWaalsContact O-N 3.16Å
626	N	28.4	Very low	30.7	Very low	167 Å²	167	151 Å²	151	89%	0.893	77%	0.772	S	S	*	*			trans	-65.9	107.5	-176.4	-66	-33	0	0	0	112.3
627	V	31.1	Very low	31.1	Very low	104 Å²	104	149.7 Å²	149.7	63%	0.63	77%	0.774	S	S	*	*			trans	-131.2	126.4	170.2	-176.3	0	0	0	0	110.4	N625 F629	N625-V627 PolarHBondContact O-N 3.15Å; N625-V627 VanDerWaalsContact O-N 3.16Å; V627-F629 HydrophobicContact CB-CD2 4.09Å; V627-F629 HydrophobicContact CB-CE2 3.79Å; V627-F629 HydrophobicContact CG1-CD2 3.85Å; V627-F629 HydrophobicContact CG1-CE2 3.49Å; V627-F629 VanDerWaalsContact CG1-CE2 3.49Å; V627-F629 HydrophobicContact CG1-CZ 4Å; V627-F629 PolarHBondContact O-N 2.95Å; V627-F629 VanDerWaalsContact O-N 3.08Å
628	N	27.3	Very low	31.3	Very low	154 Å²	154	148.3 Å²	148.3	82%	0.824	77%	0.768	S	S	*	*			trans	-82.6	80.9	-172.7	-171.6	6.3	0	0	0	111.6	N630	N628-N630 PolarHBondContact O-N 3.4Å; N628-N630 VanDerWaalsContact O-N 3.16Å
629	F	30.2	Very low	31.6	Very low	176 Å²	176	149.2 Å²	149.2	77%	0.772	77%	0.774	S	S	*	*			trans	-78.6	96.4	-179.1	-82.9	-77.7	0	0	0	112.7	V627 P631	V627-F629 HydrophobicContact CB-CD2 4.09Å; V627-F629 HydrophobicContact CB-CE2 3.79Å; V627-F629 HydrophobicContact CG1-CD2 3.85Å; V627-F629 HydrophobicContact CG1-CE2 3.49Å; V627-F629 VanDerWaalsContact CG1-CE2 3.49Å; V627-F629 HydrophobicContact CG1-CZ 4Å; V627-F629 PolarHBondContact O-N 2.95Å; V627-F629 VanDerWaalsContact O-N 3.08Å; F629-P631 VanDerWaalsContact O-CD 3.28Å; F629-P631 WeakPolarHBondContact O-CD 3Å
630	N	31.5	Very low	32	Very low	137 Å²	137	145 Å²	145	73%	0.733	78%	0.775	S	S	*	*			trans	-114.4	78.5	173.2	-165.1	1.3	0	0	0	110.1	N628 Q632	N628-N630 PolarHBondContact O-N 3.4Å; N628-N630 VanDerWaalsContact O-N 3.16Å; N630-Q632 PolarHBondContact O-N 2.58Å; N630-Q632 VanDerWaalsContact O-N 3.14Å
631	P	38.7	Very low	32.3	Very low	96 Å²	96	148.6 Å²	148.6	62%	0.623	77%	0.774	S	S	*	*			trans	-73.7	106	-172.3	29.4	-34.6	0	0	0	111.4	F629 L633	F629-P631 VanDerWaalsContact O-CD 3.28Å; F629-P631 WeakPolarHBondContact O-CD 3Å; P631-L633 PolarHBondContact O-N 3.22Å
632	Q	33.3	Very low	32.8	Very low	188 Å²	188	150.1 Å²	150.1	88%	0.879	78%	0.778	S	S	*	*			trans	-67.1	95	166.3	-70.9	-171	-3.4	0	0	109.9	N630 K634	N630-Q632 PolarHBondContact O-N 2.58Å; N630-Q632 VanDerWaalsContact O-N 3.14Å; Q632-K634 PolarHBondContact O-N 2.85Å
633	L	37.7	Very low	32.9	Very low	162 Å²	162	151.2 Å²	151.2	85%	0.848	78%	0.78	S	S	*	*			trans	-64.1	101.2	172.6	-69.4	171.6	0	0	0	109.6	P631	P631-L633 PolarHBondContact O-N 3.22Å
634	K	39.1	Very low	33.4	Very low	190 Å²	190	150.6 Å²	150.6	83%	0.826	78%	0.779	S	S	*	*			trans	-59.7	138.9	166.1	-75.3	-173.6	174.9	-177.1	0	109.2	Q632 L636	Q632-K634 PolarHBondContact O-N 2.85Å; K634-L636 PolarHBondContact O-N 3.02Å
635	P	37.2	Very low	33.7	Very low	120 Å²	120	150.2 Å²	150.2	78%	0.779	77%	0.772	S	S	*	*			trans	-55.8	138.4	172.1	-24.7	34.5	0	0	0	111.4	E637	P635-E637 PolarHBondContact O-N 2.92Å
636	L	38.1	Very low	33.9	Very low	147 Å²	147	149.4 Å²	149.4	77%	0.77	77%	0.767	S	S	*	*			trans	-70.9	111.4	170.1	-77.9	164.4	0	0	0	109.1	K634 F638	K634-L636 PolarHBondContact O-N 3.02Å; L636-F638 HydrophobicContact CB-CE2 3.97Å; L636-F638 HydrophobicContact CB-CZ 4.36Å; L636-F638 WeakPolarHBondContact O-CD2 3.27Å; L636-F638 PolarHBondContact O-N 2.96Å
637	E	34.8	Very low	34.3	Very low	191 Å²	191	145.3 Å²	145.3	89%	0.893	75%	0.748	S	S	*	*			trans	-77.4	104.1	176.1	-173.2	171.9	-165.4	0	0	109.7	P635	P635-E637 PolarHBondContact O-N 2.92Å
638	F	34.6	Very low	34.5	Very low	155 Å²	155	146.3 Å²	146.3	68%	0.68	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-86.5	126.7	171.7	-66.7	-84.5	0	0	0	109.5	L636	L636-F638 HydrophobicContact CB-CE2 3.97Å; L636-F638 HydrophobicContact CB-CZ 4.36Å; L636-F638 WeakPolarHBondContact O-CD2 3.27Å; L636-F638 PolarHBondContact O-N 2.96Å
639	S	32.4	Very low	35	Very low	114 Å²	114	149.7 Å²	149.7	80%	0.797	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-55.6	142.6	173	-46.7	0	0	0	0	111	R641	S639-R641 PolarHBondContact O-N 3.34Å; S639-R641 VanDerWaalsContact O-N 3.11Å
640	S	34.1	Very low	35.1	Very low	121 Å²	121	148.8 Å²	148.8	85%	0.846	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-54.6	117	-177	43	0	0	0	0	111.7	K642	S640-K642 PolarHBondContact O-N 3.11Å
641	R	31.3	Very low	35.4	Very low	171 Å²	171	147.8 Å²	147.8	65%	0.645	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-65.6	119.6	179.5	-109.1	179.9	173.4	-144.2	-6.3	109.1	A545 S639 Q643	A545-R641 VanDerWaalsContact O-CZ 3.3Å; A545-R641 PolarHBondContact O-NH1 3.21Å; A545-R641 PolarHBondContact O-NH2 2.9Å; S639-R641 PolarHBondContact O-N 3.34Å; S639-R641 VanDerWaalsContact O-N 3.11Å; R641-Q643 PolarHBondContact O-N 3.06Å
642	K	37	Very low	35.3	Very low	202 Å²	202	149 Å²	149	88%	0.878	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-53.6	132.4	169.4	-70.2	-169.5	174.8	-170.7	0	109.1	S640	S640-K642 PolarHBondContact O-N 3.11Å
643	Q	32.9	Very low	35.7	Very low	177 Å²	177	147.2 Å²	147.2	83%	0.827	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-55.6	142.6	179.1	-75.5	-175.8	-13.9	0	0	110.7	R641 H645	R641-Q643 PolarHBondContact O-N 3.06Å; Q643-H645 PolarHBondContact O-N 3.42Å; Q643-H645 VanDerWaalsContact O-N 3.13Å
644	P	37.1	Very low	35.7	Very low	101 Å²	101	145.1 Å²	145.1	66%	0.656	72%	0.721	S	S	*	*			trans	-65.9	115.3	174.5	27.7	-33.2	0	0	0	109.2	L646	P644-L646 PolarHBondContact O-N 2.76Å
645	H	33.8	Very low	35.5	Very low	126 Å²	126	138.5 Å²	138.5	58%	0.583	70%	0.701	S	S	*	*			trans	-50.2	108.9	177.2	-72.9	-101.8	0	0	0	110.6	Q643 T647 R650 Y685	Q643-H645 PolarHBondContact O-N 3.42Å; Q643-H645 VanDerWaalsContact O-N 3.13Å; H645-T647 VanDerWaalsContact C-N 3.3Å; H645-T647 PolarHBondContact O-N 2.8Å; H645-R650 PolarHBondContact O-NH1 3.08Å; H645-Y685 PolarHBondContact CE1-OH 2.78Å; H645-Y685 PolarHBondContact ND1-OH 3.39Å
646	L	32.2	Very low	35.7	Very low	139 Å²	139	137 Å²	137	73%	0.728	69%	0.687	S	S	*	*			trans	-77.7	78.8	179.5	-79.2	167.5	0	0	0	109.9	P644 L648	P644-L646 PolarHBondContact O-N 2.76Å; L646-L648 PolarHBondContact O-N 2.86Å
647	T	36.2	Very low	36	Very low	81 Å²	81	136.6 Å²	136.6	50%	0.497	68%	0.681	S	S	.	*			trans	-64.4	132	166.8	45.4	0	0	0	0	109.9	H645 R649 R650	H645-T647 VanDerWaalsContact C-N 3.3Å; H645-T647 PolarHBondContact O-N 2.8Å; T647-R649 PolarHBondContact O-N 2.8Å; T647-R650 PolarHBondContact O-N 2.68Å
648	L	34.1	Very low	36.6	Very low	124 Å²	124	132.7 Å²	132.7	65%	0.649	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-43.9	-36.1	-175.1	-95.8	147.7	0	0	0	114.3	L646 R650 I651	L646-L648 PolarHBondContact O-N 2.86Å; L648-R650 PolarHBondContact O-N 2.85Å; L648-I651 PolarHBondContact O-N 3.36Å; L648-I651 VanDerWaalsContact O-N 3.15Å
649	R	37.7	Very low	37.2	Very low	226 Å²	226	129.3 Å²	129.3	85%	0.853	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-53.1	-25	176.5	-74.6	-171	174.5	-167.3	-1.6	115	T647 I651	T647-R649 PolarHBondContact O-N 2.8Å; R649-I651 VanDerWaalsContact C-N 3.3Å; R649-I651 PolarHBondContact O-N 3.31Å
650	R	33.6	Very low	38.1	Very low	156 Å²	156	129.2 Å²	129.2	59%	0.589	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-79.6	-5.2	-179	-60.9	-150.6	-164.5	90.5	5.3	115.1	H645 T647 L648	H645-R650 PolarHBondContact O-NH1 3.08Å; T647-R650 PolarHBondContact O-N 2.68Å; L648-R650 PolarHBondContact O-N 2.85Å
651	I	37.6	Very low	38.7	Very low	117 Å²	117	127.3 Å²	127.3	60%	0.6	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-91	-19.9	-178.9	-60.3	172.4	0	0	0	111.3	L648 R649 Q653	L648-I651 PolarHBondContact O-N 3.36Å; L648-I651 VanDerWaalsContact O-N 3.15Å; R649-I651 VanDerWaalsContact C-N 3.3Å; R649-I651 PolarHBondContact O-N 3.31Å; I651-Q653 PolarHBondContact O-N 2.97Å
652	V	36.5	Very low	39.5	Very low	120 Å²	120	125 Å²	125	73%	0.727	61%	0.612	S	S	*	*	S	Bend	trans	-99.1	37.3	-158.8	-156.7	0	0	0	0	113.5
653	Q	41.4	Very low	40	Very low	152 Å²	152	119.9 Å²	119.9	71%	0.71	59%	0.593	S	S	*	*	S	Bend	trans	-136.8	17.3	-171.3	-133.2	174.8	13.3	0	0	115.5	I651	I651-Q653 PolarHBondContact O-N 2.97Å
654	I	38.2	Very low	40.5	Very low	117 Å²	117	114.9 Å²	114.9	60%	0.6	58%	0.582	S	S	*	*	S	Bend	trans	-142	70.2	179.5	-45.2	179.4	0	0	0	110.3	I534	I534-I654 HydrophobicContact CD1-CG2 4.24Å; I534-I654 HydrophobicContact CG1-CG2 3.99Å
655	A	35.3	Very low	41	Very low	51 Å²	51	117.4 Å²	117.4	42%	0.421	58%	0.579	S	S	.	*			trans	-151.1	151	173.9	0	0	0	0	0	109.1	D659 W660	A655-D659 HydrophobicContact CB-CB 3.98Å; A655-W660 HydrophobicContact CB-CB 4.25Å
656	N	40.3	Very low	41.4	Very low	88 Å²	88	112.3 Å²	112.3	47%	0.471	56%	0.561	S	S	.	*			trans	-72.5	171.2	169.3	-150.2	56.4	0	0	0	110.7	D658 D659 W660	N656-D658 VanDerWaalsContact C-N 3.33Å; N656-D658 PolarHBondContact ND2-OD2 3.49Å; N656-D658 VanDerWaalsContact ND2-OD2 3.14Å; N656-D658 PolarHBondContact O-N 3.32Å; N656-D659 HydrophobicContact CB-CB 4.21Å; N656-D659 WeakPolarHBondContact CB-OD2 3.46Å; N656-D659 PolarHBondContact N-OD2 3.45Å; N656-D659 PolarHBondContact O-N 2.93Å; N656-W660 PolarHBondContact O-N 2.84Å
657	E	44.4	Very low	42.5	Very low	140 Å²	140	112.3 Å²	112.3	65%	0.654	56%	0.562	S	S	*	*	H	α-helix	trans	-65.1	-36.2	-178.2	-69.6	-153.4	121.9	0	0	113.6	W660	E657-W660 VanDerWaalsContact CA-CD1 3.44Å; E657-W660 PolarHBondContact O-NE1 3.37Å
658	D	47.2	Very low	43.6	Very low	108 Å²	108	111.5 Å²	111.5	58%	0.578	56%	0.555	S	S	*	*	H	α-helix	trans	-74.1	-39	175.3	-35.8	-82.4	0	0	0	111.3	N656 W660 Q661 E662	N656-D658 VanDerWaalsContact C-N 3.33Å; N656-D658 PolarHBondContact ND2-OD2 3.49Å; N656-D658 VanDerWaalsContact ND2-OD2 3.14Å; N656-D658 PolarHBondContact O-N 3.32Å; D658-W660 VanDerWaalsContact C-N 3.34Å; D658-W660 PolarHBondContact O-N 2.96Å; D658-Q661 WeakPolarHBondContact O-CB 3.47Å; D658-Q661 PolarHBondContact O-N 3.41Å; D658-Q661 VanDerWaalsContact O-N 3.14Å; D658-E662 PolarHBondContact O-N 2.99Å
659	D	47.7	Very low	44.7	Very low	85 Å²	85	114.5 Å²	114.5	46%	0.455	56%	0.558	S	S	.	*	H	α-helix	trans	-61.9	-39.8	177.7	-58.7	-26.7	0	0	0	111.4	A655 N656 Q661 E662 I663	A655-D659 HydrophobicContact CB-CB 3.98Å; N656-D659 HydrophobicContact CB-CB 4.21Å; N656-D659 WeakPolarHBondContact CB-OD2 3.46Å; N656-D659 PolarHBondContact N-OD2 3.45Å; N656-D659 PolarHBondContact O-N 2.93Å; D659-Q661 VanDerWaalsContact C-N 3.28Å; D659-Q661 PolarHBondContact O-N 3.09Å; D659-E662 PolarHBondContact O-N 3.27Å; D659-I663 WeakPolarHBondContact O-CD1 3.26Å; D659-I663 WeakPolarHBondContact O-CG1 3.46Å; D659-I663 PolarHBondContact O-N 2.97Å
660	W	51.4	Low	45.5	Very low	112 Å²	112	106.6 Å²	106.6	42%	0.424	54%	0.541	S	S	.	.	H	α-helix	trans	-69.2	-28	177.8	78.4	-117.5	0	0	0	111.9	A655 N656 E657 D658 I663 A664	A655-W660 HydrophobicContact CB-CB 4.25Å; N656-W660 PolarHBondContact O-N 2.84Å; E657-W660 VanDerWaalsContact CA-CD1 3.44Å; E657-W660 PolarHBondContact O-NE1 3.37Å; D658-W660 VanDerWaalsContact C-N 3.34Å; D658-W660 PolarHBondContact O-N 2.96Å; W660-I663 PolarHBondContact O-N 3.21Å; W660-A664 HydrophobicContact CE3-CB 3.92Å; W660-A664 HydrophobicContact CZ3-CB 4.29Å; W660-A664 WeakPolarHBondContact O-CB 3.42Å; W660-A664 PolarHBondContact O-N 3.42Å
661	Q	47.5	Very low	46.5	Very low	81 Å²	81	100 Å²	100	38%	0.379	52%	0.518	S	S	.	.	H	α-helix	trans	-66.3	-46.5	175.6	-72.6	-178.2	27.8	0	0	111.3	D658 D659 I663 A664 Y665	D658-Q661 WeakPolarHBondContact O-CB 3.47Å; D658-Q661 PolarHBondContact O-N 3.41Å; D658-Q661 VanDerWaalsContact O-N 3.14Å; D659-Q661 VanDerWaalsContact C-N 3.28Å; D659-Q661 PolarHBondContact O-N 3.09Å; Q661-I663 PolarHBondContact O-N 3.21Å; Q661-A664 PolarHBondContact O-N 3.35Å; Q661-Y665 HydrophobicContact CB-CD2 3.96Å; Q661-Y665 HydrophobicContact CB-CE2 3.87Å; Q661-Y665 HydrophobicContact CG-CE2 4.06Å; Q661-Y665 WeakPolarHBondContact O-CB 3.21Å; Q661-Y665 WeakPolarHBondContact O-CD2 3.13Å; Q661-Y665 PolarHBondContact O-N 3.06Å
662	E	46.2	Very low	47.5	Very low	121 Å²	121	99.3 Å²	99.3	57%	0.565	51%	0.513	S	S	*	.	H	α-helix	trans	-60	-35.4	174.3	-71.4	-155.6	157.9	0	0	113.1	D658 D659 G666	D658-E662 PolarHBondContact O-N 2.99Å; D659-E662 PolarHBondContact O-N 3.27Å; E662-G666 PolarHBondContact O-N 3.03Å
663	I	48	Very low	48.9	Very low	96 Å²	96	96.6 Å²	96.6	49%	0.492	50%	0.497	S	S	.	.	H	α-helix	trans	-74.4	-40.4	178.2	-65.4	167.8	0	0	0	111.4	D659 W660 Q661 G666 T671	D659-I663 WeakPolarHBondContact O-CD1 3.26Å; D659-I663 WeakPolarHBondContact O-CG1 3.46Å; D659-I663 PolarHBondContact O-N 2.97Å; W660-I663 PolarHBondContact O-N 3.21Å; Q661-I663 PolarHBondContact O-N 3.21Å; I663-G666 PolarHBondContact O-N 3.06Å; I663-T671 HydrophobicContact CG2-CG2 4.29Å; I663-T671 WeakPolarHBondContact O-CG2 3.31Å
664	A	43.6	Very low	50.1	Low	71 Å²	71	94.6 Å²	94.6	59%	0.587	49%	0.49	S	S	*	.	H	α-helix	trans	-77.5	-35.9	-177.5	0	0	0	0	0	112.9	W660 Q661 G666	W660-A664 HydrophobicContact CE3-CB 3.92Å; W660-A664 HydrophobicContact CZ3-CB 4.29Å; W660-A664 WeakPolarHBondContact O-CB 3.42Å; W660-A664 PolarHBondContact O-N 3.42Å; Q661-A664 PolarHBondContact O-N 3.35Å; A664-G666 VanDerWaalsContact C-N 3.26Å; A664-G666 PolarHBondContact O-N 2.68Å
665	Y	49	Very low	51.4	Low	154 Å²	154	92.7 Å²	92.7	60%	0.604	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-8	173.2	-65.3	-57	0	0	0	113	Q661 N667	Q661-Y665 HydrophobicContact CB-CD2 3.96Å; Q661-Y665 HydrophobicContact CB-CE2 3.87Å; Q661-Y665 HydrophobicContact CG-CE2 4.06Å; Q661-Y665 WeakPolarHBondContact O-CB 3.21Å; Q661-Y665 WeakPolarHBondContact O-CD2 3.13Å; Q661-Y665 PolarHBondContact O-N 3.06Å; Y665-N667 PolarHBondContact O-N 3.44Å; Y665-N667 VanDerWaalsContact O-N 3.14Å; Y665-N667 PolarHBondContact O-OD1 3.36Å
666	G	41	Very low	53	Low	19 Å²	19	96.8 Å²	96.8	20%	0.196	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	10.1	170	0	0	0	0	0	115.8	E662 I663 A664 N668 Q672	E662-G666 PolarHBondContact O-N 3.03Å; I663-G666 PolarHBondContact O-N 3.06Å; A664-G666 VanDerWaalsContact C-N 3.26Å; A664-G666 PolarHBondContact O-N 2.68Å; G666-N668 PolarHBondContact O-N 3.01Å; G666-Q672 PolarHBondContact O-NE2 2.81Å
667	N	54.5	Low	54.3	Low	139 Å²	139	97.1 Å²	97.1	74%	0.743	49%	0.492	S	S	*	.			trans	-76.2	-2.6	-169.9	-74.5	-25	0	0	0	114.8	Y665	Y665-N667 PolarHBondContact O-N 3.44Å; Y665-N667 VanDerWaalsContact O-N 3.14Å; Y665-N667 PolarHBondContact O-OD1 3.36Å
668	N	59.4	Low	55.3	Low	65 Å²	65	92.1 Å²	92.1	35%	0.348	47%	0.474	S	S	.	.	S	Bend	trans	-104.4	131.9	-179.9	-170.3	-36.6	0	0	0	111.3	G666 A670 T671 Q672	G666-N668 PolarHBondContact O-N 3.01Å; N668-A670 PolarHBondContact O-N 3.02Å; N668-A670 WeakPolarHBondContact OD1-CB 3.4Å; N668-A670 PolarHBondContact OD1-N 3.5Å; N668-T671 WeakPolarHBondContact O-CA 3.16Å; N668-T671 VanDerWaalsContact O-CB 3.31Å; N668-T671 WeakPolarHBondContact O-CB 3.34Å; N668-T671 PolarHBondContact O-N 2.8Å; N668-Q672 PolarHBondContact O-N 2.9Å
669	Y	57.5	Low	55.9	Low	186 Å²	186	93.1 Å²	93.1	73%	0.729	47%	0.474	S	S	*	.	H	α-helix	trans	-55.3	-35	177.6	-178.4	-93.7	0	0	0	113	Q672 T673	Y669-Q672 PolarHBondContact O-N 3.18Å; Y669-T673 WeakPolarHBondContact O-CB 3.38Å; Y669-T673 PolarHBondContact O-N 3.06Å; Y669-T673 PolarHBondContact O-OG1 2.87Å
670	A	54.4	Low	56.8	Low	60 Å²	60	91.9 Å²	91.9	50%	0.496	47%	0.472	S	S	.	.	H	α-helix	trans	-63.1	-41.9	173.7	0	0	0	0	0	111.5	N668 T673 L674	N668-A670 PolarHBondContact O-N 3.02Å; N668-A670 WeakPolarHBondContact OD1-CB 3.4Å; N668-A670 PolarHBondContact OD1-N 3.5Å; A670-T673 PolarHBondContact O-N 2.89Å; A670-L674 WeakPolarHBondContact O-CB 3.43Å; A670-L674 PolarHBondContact O-N 2.71Å
671	T	54.6	Low	57.3	Low	17 Å²	17	93.4 Å²	93.4	10%	0.104	48%	0.482	C	S	.	.	H	α-helix	trans	-65.2	-42.7	177	-51.7	0	0	0	0	111.3	I663 N668 T673 L674 I675	I663-T671 HydrophobicContact CG2-CG2 4.29Å; I663-T671 WeakPolarHBondContact O-CG2 3.31Å; N668-T671 WeakPolarHBondContact O-CA 3.16Å; N668-T671 VanDerWaalsContact O-CB 3.31Å; N668-T671 WeakPolarHBondContact O-CB 3.34Å; N668-T671 PolarHBondContact O-N 2.8Å; T671-T673 PolarHBondContact O-N 3.47Å; T671-L674 PolarHBondContact O-N 2.89Å; T671-I675 HydrophobicContact CG2-CD1 3.92Å; T671-I675 HydrophobicContact CG2-CG1 4.5Å; T671-I675 WeakPolarHBondContact O-CB 3.24Å; T671-I675 VanDerWaalsContact O-CG1 3.28Å; T671-I675 WeakPolarHBondContact O-CG1 3.05Å; T671-I675 PolarHBondContact O-N 2.74Å
672	Q	58.9	Low	58	Low	103 Å²	103	92.7 Å²	92.7	48%	0.481	48%	0.483	S	S	.	.	H	α-helix	trans	-62.4	-42.4	175.5	-64.2	-175.5	14.3	0	0	111.9	G666 N668 Y669 L674 I675 Q676	G666-Q672 PolarHBondContact O-NE2 2.81Å; N668-Q672 PolarHBondContact O-N 2.9Å; Y669-Q672 PolarHBondContact O-N 3.18Å; Q672-L674 PolarHBondContact O-N 3.45Å; Q672-I675 PolarHBondContact O-N 3.19Å; Q672-Q676 WeakPolarHBondContact O-CG 3.27Å; Q672-Q676 PolarHBondContact O-N 3.42Å
673	T	67.3	Low	58.7	Low	64 Å²	64	90.9 Å²	90.9	39%	0.393	48%	0.477	S	S	.	.	H	α-helix	trans	-60.9	-44.1	174.7	-54.3	0	0	0	0	111.3	Y669 A670 T671 Q676 L677	Y669-T673 WeakPolarHBondContact O-CB 3.38Å; Y669-T673 PolarHBondContact O-N 3.06Å; Y669-T673 PolarHBondContact O-OG1 2.87Å; A670-T673 PolarHBondContact O-N 2.89Å; T671-T673 PolarHBondContact O-N 3.47Å; T673-Q676 PolarHBondContact O-N 3.03Å; T673-L677 VanDerWaalsContact O-CB 3.31Å; T673-L677 WeakPolarHBondContact O-CB 3.42Å; T673-L677 PolarHBondContact O-N 2.83Å
674	L	65.8	Low	59.3	Low	109 Å²	109	90.7 Å²	90.7	57%	0.571	48%	0.477	S	S	*	.	H	α-helix	trans	-66.9	-38.5	178.7	-150.9	167.7	0	0	0	111.4	A670 T671 Q672 L677 A678	A670-L674 WeakPolarHBondContact O-CB 3.43Å; A670-L674 PolarHBondContact O-N 2.71Å; T671-L674 PolarHBondContact O-N 2.89Å; Q672-L674 PolarHBondContact O-N 3.45Å; L674-L677 PolarHBondContact O-N 3.3Å; L674-A678 VanDerWaalsContact O-CB 3.31Å; L674-A678 WeakPolarHBondContact O-CB 3.33Å; L674-A678 PolarHBondContact O-N 3.22Å
675	I	66.3	Low	59.7	Low	77 Å²	77	92.6 Å²	92.6	40%	0.395	47%	0.47	S	S	.	.	H	α-helix	trans	-66.7	-43	174.4	-70.9	167.6	0	0	0	111.5	T671 Q672 A678 K679	T671-I675 HydrophobicContact CG2-CD1 3.92Å; T671-I675 HydrophobicContact CG2-CG1 4.5Å; T671-I675 WeakPolarHBondContact O-CB 3.24Å; T671-I675 VanDerWaalsContact O-CG1 3.28Å; T671-I675 WeakPolarHBondContact O-CG1 3.05Å; T671-I675 PolarHBondContact O-N 2.74Å; Q672-I675 PolarHBondContact O-N 3.19Å; I675-A678 PolarHBondContact O-N 2.93Å; I675-K679 HydrophobicContact CG2-CD 4.29Å; I675-K679 WeakPolarHBondContact O-CB 3.43Å; I675-K679 WeakPolarHBondContact O-CG 3.43Å; I675-K679 PolarHBondContact O-N 3.08Å
676	Q	67.5	Low	59.7	Low	137 Å²	137	90.8 Å²	90.8	64%	0.64	47%	0.467	S	S	*	.	H	α-helix	trans	-61.8	-44.1	174.6	-76	-177	-3.1	0	0	111.5	Q672 T673 K679 S680	Q672-Q676 WeakPolarHBondContact O-CG 3.27Å; Q672-Q676 PolarHBondContact O-N 3.42Å; T673-Q676 PolarHBondContact O-N 3.03Å; Q676-K679 PolarHBondContact O-N 3.3Å; Q676-S680 PolarHBondContact O-N 3.28Å
677	L	69.2	Low	60.6	Low	96 Å²	96	95.5 Å²	95.5	50%	0.503	48%	0.484	S	S	.	.	H	α-helix	trans	-65.1	-41.6	176.9	-175	142.3	0	0	0	111.6	T673 L674 K679 S680 F681	T673-L677 VanDerWaalsContact O-CB 3.31Å; T673-L677 WeakPolarHBondContact O-CB 3.42Å; T673-L677 PolarHBondContact O-N 2.83Å; L674-L677 PolarHBondContact O-N 3.3Å; L677-K679 PolarHBondContact O-N 3.39Å; L677-S680 PolarHBondContact O-N 3.35Å; L677-S680 PolarHBondContact O-OG 3.33Å; L677-F681 HydrophobicContact CD2-CD2 3.83Å; L677-F681 HydrophobicContact CD2-CE2 3.78Å; L677-F681 HydrophobicContact CG-CD2 4.21Å; L677-F681 HydrophobicContact CG-CE2 4.09Å; L677-F681 VanDerWaalsContact O-CD2 3.3Å; L677-F681 WeakPolarHBondContact O-CD2 3.05Å; L677-F681 PolarHBondContact O-N 3.26Å; L677-F681 VanDerWaalsContact O-N 3.09Å
678	A	63.7	Low	60.6	Low	34 Å²	34	94.7 Å²	94.7	28%	0.281	48%	0.475	S	S	.	.	H	α-helix	trans	-61.3	-43.4	173.5	0	0	0	0	0	112	L674 I675 F681 T682	L674-A678 VanDerWaalsContact O-CB 3.31Å; L674-A678 WeakPolarHBondContact O-CB 3.33Å; L674-A678 PolarHBondContact O-N 3.22Å; I675-A678 PolarHBondContact O-N 2.93Å; A678-F681 PolarHBondContact O-N 2.87Å; A678-T682 PolarHBondContact O-N 3.47Å; A678-T682 PolarHBondContact O-OG1 3.37Å
679	K	59.7	Low	60.3	Low	130 Å²	130	95.8 Å²	95.8	57%	0.565	48%	0.478	S	S	*	.	H	α-helix	trans	-62	-39.8	174.7	-75.7	178	177.3	-174.7	0	112.3	I675 Q676 L677 F681 T682 N683	I675-K679 HydrophobicContact CG2-CD 4.29Å; I675-K679 WeakPolarHBondContact O-CB 3.43Å; I675-K679 WeakPolarHBondContact O-CG 3.43Å; I675-K679 PolarHBondContact O-N 3.08Å; Q676-K679 PolarHBondContact O-N 3.3Å; L677-K679 PolarHBondContact O-N 3.39Å; K679-F681 VanDerWaalsContact C-N 3.34Å; K679-F681 PolarHBondContact O-N 3.41Å; K679-T682 WeakPolarHBondContact CA-OG1 3.34Å; K679-T682 PolarHBondContact O-N 2.95Å; K679-T682 PolarHBondContact O-OG1 2.88Å; K679-N683 WeakPolarHBondContact O-CB 3.33Å; K679-N683 PolarHBondContact O-N 3.02Å; K679-N683 PolarHBondContact O-OD1 3.1Å; K679-N683 VanDerWaalsContact O-OD1 3.08Å
680	S	67.6	Low	60.2	Low	58 Å²	58	92.6 Å²	92.6	41%	0.406	47%	0.47	S	S	.	.	H	α-helix	trans	-65.8	-38	177.3	75.7	0	0	0	0	111.7	Q676 L677 N684	Q676-S680 PolarHBondContact O-N 3.28Å; L677-S680 PolarHBondContact O-N 3.35Å; L677-S680 PolarHBondContact O-OG 3.33Å; S680-N684 PolarHBondContact O-N 3.16Å; S680-N684 VanDerWaalsContact O-N 3.14Å; S680-N684 PolarHBondContact O-ND2 3.15Å
681	F	60.8	Low	60.2	Low	145 Å²	145	95.3 Å²	95.3	64%	0.636	47%	0.473	S	S	*	.	H	α-helix	trans	-66.8	-42.2	173.1	-85	-73.2	0	0	0	113.2	L677 A678 K679 Y685	L677-F681 HydrophobicContact CD2-CD2 3.83Å; L677-F681 HydrophobicContact CD2-CE2 3.78Å; L677-F681 HydrophobicContact CG-CD2 4.21Å; L677-F681 HydrophobicContact CG-CE2 4.09Å; L677-F681 VanDerWaalsContact O-CD2 3.3Å; L677-F681 WeakPolarHBondContact O-CD2 3.05Å; L677-F681 PolarHBondContact O-N 3.26Å; L677-F681 VanDerWaalsContact O-N 3.09Å; A678-F681 PolarHBondContact O-N 2.87Å; K679-F681 VanDerWaalsContact C-N 3.34Å; K679-F681 PolarHBondContact O-N 3.41Å; F681-Y685 WeakPolarHBondContact O-CB 3.43Å; F681-Y685 PolarHBondContact O-N 2.96Å; F681-Y685 VanDerWaalsContact O-N 3.09Å
682	T	63.8	Low	59.7	Low	65 Å²	65	97.1 Å²	97.1	40%	0.399	49%	0.486	S	S	.	.	H	α-helix	trans	-65.2	-41.1	177.4	51.7	0	0	0	0	112.3	A678 K679 Y685 Q686	A678-T682 PolarHBondContact O-N 3.47Å; A678-T682 PolarHBondContact O-OG1 3.37Å; K679-T682 WeakPolarHBondContact CA-OG1 3.34Å; K679-T682 PolarHBondContact O-N 2.95Å; K679-T682 PolarHBondContact O-OG1 2.88Å; T682-Y685 PolarHBondContact O-N 3.43Å; T682-Q686 PolarHBondContact O-N 3.01Å
683	N	60.1	Low	59.4	Low	84 Å²	84	96.4 Å²	96.4	45%	0.449	48%	0.484	S	S	.	.	H	α-helix	trans	-67.8	-42	-178.2	-67.4	13.5	0	0	0	111.4	K679 Y685 Q686 Q687	K679-N683 WeakPolarHBondContact O-CB 3.33Å; K679-N683 PolarHBondContact O-N 3.02Å; K679-N683 PolarHBondContact O-OD1 3.1Å; K679-N683 VanDerWaalsContact O-OD1 3.08Å; N683-Y685 VanDerWaalsContact C-N 3.3Å; N683-Y685 PolarHBondContact O-N 2.76Å; N683-Q686 PolarHBondContact O-N 3.49Å; N683-Q687 WeakPolarHBondContact O-CG 3.32Å; N683-Q687 PolarHBondContact O-N 3.45Å
684	N	60.9	Low	58.8	Low	91 Å²	91	97.7 Å²	97.7	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-60	-39.8	171.9	-84.1	-83	0	0	0	111.8	S680 Q686 Q687 Q688	S680-N684 PolarHBondContact O-N 3.16Å; S680-N684 VanDerWaalsContact O-N 3.14Å; S680-N684 PolarHBondContact O-ND2 3.15Å; N684-Q686 VanDerWaalsContact C-N 3.34Å; N684-Q686 PolarHBondContact O-N 3.35Å; N684-Q687 PolarHBondContact O-N 3.39Å; N684-Q688 WeakPolarHBondContact O-CG 3.36Å; N684-Q688 PolarHBondContact O-N 3.13Å
685	Y	50.9	Low	58.2	Low	112 Å²	112	98.8 Å²	98.8	44%	0.439	49%	0.491	S	S	.	.	H	α-helix	trans	-70.3	-27.6	179.6	-167.5	-106.8	0	0	0	113.8	H645 F681 T682 N683 Q689	H645-Y685 PolarHBondContact CE1-OH 2.78Å; H645-Y685 PolarHBondContact ND1-OH 3.39Å; F681-Y685 WeakPolarHBondContact O-CB 3.43Å; F681-Y685 PolarHBondContact O-N 2.96Å; F681-Y685 VanDerWaalsContact O-N 3.09Å; T682-Y685 PolarHBondContact O-N 3.43Å; N683-Y685 VanDerWaalsContact C-N 3.3Å; N683-Y685 PolarHBondContact O-N 2.76Å; Y685-Q689 VanDerWaalsContact CE1-NE2 3.28Å; Y685-Q689 PolarHBondContact O-N 3.42Å; Y685-Q689 PolarHBondContact O-NE2 3Å
686	Q	50.9	Low	57.3	Low	115 Å²	115	101.1 Å²	101.1	54%	0.537	50%	0.504	S	S	.	.	H	α-helix	trans	-73.4	-46.3	169.4	-70.7	179.8	-75.9	0	0	111.1	T682 N683 N684 Q688 Q689 Q690	T682-Q686 PolarHBondContact O-N 3.01Å; N683-Q686 PolarHBondContact O-N 3.49Å; N684-Q686 VanDerWaalsContact C-N 3.34Å; N684-Q686 PolarHBondContact O-N 3.35Å; Q686-Q688 PolarHBondContact O-N 2.77Å; Q686-Q689 PolarHBondContact O-N 3.1Å; Q686-Q689 VanDerWaalsContact O-N 3.15Å; Q686-Q690 PolarHBondContact O-N 3.21Å
687	Q	58.4	Low	56.5	Low	119 Å²	119	99.6 Å²	99.6	56%	0.556	50%	0.5	S	S	*	.	H	α-helix	trans	-60.6	-42.4	178.9	-71.7	178.8	4.8	0	0	112.8	N683 N684 Q689 Q690 Q691	N683-Q687 WeakPolarHBondContact O-CG 3.32Å; N683-Q687 PolarHBondContact O-N 3.45Å; N684-Q687 PolarHBondContact O-N 3.39Å; Q687-Q689 VanDerWaalsContact C-N 3.33Å; Q687-Q689 PolarHBondContact O-N 2.95Å; Q687-Q690 WeakPolarHBondContact O-CB 3.41Å; Q687-Q690 PolarHBondContact O-N 3.45Å; Q687-Q691 WeakPolarHBondContact O-CG 3.3Å; Q687-Q691 PolarHBondContact O-N 2.92Å
688	Q	55.2	Low	55.4	Low	122 Å²	122	100.8 Å²	100.8	57%	0.57	51%	0.507	S	S	*	.	H	α-helix	trans	-62.2	-37.5	175	-76.6	-175.9	-17.4	0	0	112.8	N684 Q686 S692	N684-Q688 WeakPolarHBondContact O-CG 3.36Å; N684-Q688 PolarHBondContact O-N 3.13Å; Q686-Q688 PolarHBondContact O-N 2.77Å; Q688-S692 WeakPolarHBondContact O-CB 2.84Å; Q688-S692 PolarHBondContact O-N 2.77Å; Q688-S692 PolarHBondContact O-OG 2.82Å
689	Q	53	Low	54.5	Low	88 Å²	88	105.9 Å²	105.9	41%	0.411	53%	0.529	S	S	.	.	H	α-helix	trans	-67	-45.4	173.5	-78.5	174.4	100.5	0	0	111.2	Y685 Q686 Q687 Q691 S692 I693	Y685-Q689 VanDerWaalsContact CE1-NE2 3.28Å; Y685-Q689 PolarHBondContact O-N 3.42Å; Y685-Q689 PolarHBondContact O-NE2 3Å; Q686-Q689 PolarHBondContact O-N 3.1Å; Q686-Q689 VanDerWaalsContact O-N 3.15Å; Q687-Q689 VanDerWaalsContact C-N 3.33Å; Q687-Q689 PolarHBondContact O-N 2.95Å; Q689-Q691 VanDerWaalsContact C-N 3.34Å; Q689-Q691 PolarHBondContact O-N 3.02Å; Q689-S692 PolarHBondContact O-N 2.85Å; Q689-S692 PolarHBondContact O-OG 3.17Å; Q689-I693 WeakPolarHBondContact O-CD1 3.47Å; Q689-I693 VanDerWaalsContact O-CG1 3.29Å; Q689-I693 WeakPolarHBondContact O-CG1 3.29Å; Q689-I693 PolarHBondContact O-N 3.31Å
690	Q	54.9	Low	53.8	Low	118 Å²	118	104.6 Å²	104.6	55%	0.551	54%	0.536	S	S	*	.	H	α-helix	trans	-55.2	-47.3	175.3	-124.6	82.5	47.7	0	0	111.8	Q686 Q687 I693 N694	Q686-Q690 PolarHBondContact O-N 3.21Å; Q687-Q690 WeakPolarHBondContact O-CB 3.41Å; Q687-Q690 PolarHBondContact O-N 3.45Å; Q690-I693 PolarHBondContact O-N 2.91Å; Q690-N694 PolarHBondContact O-N 2.68Å; Q690-N694 PolarHBondContact O-OD1 2.78Å
691	Q	54.2	Low	52.6	Low	118 Å²	118	105.5 Å²	105.5	55%	0.551	54%	0.543	S	S	*	.	H	α-helix	trans	-60.9	-48.2	177.5	-74.2	172.2	-25.9	0	0	111.6	Q687 Q689 I693 N694 E695	Q687-Q691 WeakPolarHBondContact O-CG 3.3Å; Q687-Q691 PolarHBondContact O-N 2.92Å; Q689-Q691 VanDerWaalsContact C-N 3.34Å; Q689-Q691 PolarHBondContact O-N 3.02Å; Q691-I693 PolarHBondContact O-N 3.06Å; Q691-N694 PolarHBondContact O-N 2.87Å; Q691-N694 VanDerWaalsContact O-N 3.13Å; Q691-E695 PolarHBondContact O-N 3.46Å
692	S	44.1	Very low	51.4	Low	55 Å²	55	106.9 Å²	106.9	39%	0.385	55%	0.551	S	S	.	*	H	α-helix	trans	-64	-24.2	178.4	70.5	0	0	0	0	114.5	Q688 Q689 L696	Q688-S692 WeakPolarHBondContact O-CB 2.84Å; Q688-S692 PolarHBondContact O-N 2.77Å; Q688-S692 PolarHBondContact O-OG 2.82Å; Q689-S692 PolarHBondContact O-N 2.85Å; Q689-S692 PolarHBondContact O-OG 3.17Å; S692-L696 WeakPolarHBondContact O-CD1 3.37Å; S692-L696 WeakPolarHBondContact O-CG 3.41Å
693	I	53.5	Low	49.8	Very low	87 Å²	87	109.1 Å²	109.1	45%	0.446	57%	0.569	S	S	.	*	H	α-helix	trans	-79.7	-38.6	174.9	-69.4	164.3	0	0	0	110.5	Q689 Q690 Q691 L696 N697	Q689-I693 WeakPolarHBondContact O-CD1 3.47Å; Q689-I693 VanDerWaalsContact O-CG1 3.29Å; Q689-I693 WeakPolarHBondContact O-CG1 3.29Å; Q689-I693 PolarHBondContact O-N 3.31Å; Q690-I693 PolarHBondContact O-N 2.91Å; Q691-I693 PolarHBondContact O-N 3.06Å; I693-L696 PolarHBondContact O-N 3.21Å; I693-N697 PolarHBondContact O-N 3.2Å; I693-N697 PolarHBondContact O-ND2 3.47Å
694	N	55.4	Low	48.5	Very low	91 Å²	91	110.1 Å²	110.1	49%	0.487	58%	0.582	S	S	.	*	H	α-helix	trans	-66.7	-47.1	177	-67.4	-2.4	0	0	0	111.4	Q690 Q691 L696 N697 D698	Q690-N694 PolarHBondContact O-N 2.68Å; Q690-N694 PolarHBondContact O-OD1 2.78Å; Q691-N694 PolarHBondContact O-N 2.87Å; Q691-N694 VanDerWaalsContact O-N 3.13Å; N694-L696 PolarHBondContact O-N 3.06Å; N694-N697 PolarHBondContact O-N 2.65Å; N694-D698 PolarHBondContact O-N 3.3Å
695	E	51.7	Low	47.1	Very low	132 Å²	132	113.1 Å²	113.1	62%	0.617	60%	0.597	S	S	*	*	H	α-helix	trans	-58	-33.5	176.7	-70.9	178.2	172.4	0	0	112.8	Q691 L699	Q691-E695 PolarHBondContact O-N 3.46Å; E695-L699 WeakPolarHBondContact O-CD1 3.32Å; E695-L699 WeakPolarHBondContact O-CG 3.45Å
696	L	48.1	Very low	46.3	Very low	127 Å²	127	113.2 Å²	113.2	67%	0.665	62%	0.615	S	S	*	*	H	α-helix	trans	-75.4	-25.2	175.4	-77.9	172	0	0	0	113.8	S692 I693 N694	S692-L696 WeakPolarHBondContact O-CD1 3.37Å; S692-L696 WeakPolarHBondContact O-CG 3.41Å; I693-L696 PolarHBondContact O-N 3.21Å; N694-L696 PolarHBondContact O-N 3.06Å
697	N	50.3	Low	45.4	Very low	105 Å²	105	113.2 Å²	113.2	56%	0.561	63%	0.627	S	S	*	*	H	α-helix	trans	-80.9	-42.1	176.9	-72.6	-29.9	0	0	0	111.6	I693 N694 L699 S700	I693-N697 PolarHBondContact O-N 3.2Å; I693-N697 PolarHBondContact O-ND2 3.47Å; N694-N697 PolarHBondContact O-N 2.65Å; N697-L699 VanDerWaalsContact C-N 3.28Å; N697-L699 PolarHBondContact O-N 3.27Å; N697-S700 WeakPolarHBondContact O-CB 3.48Å; N697-S700 PolarHBondContact O-N 3.1Å
698	D	46.7	Very low	44.5	Very low	120 Å²	120	113 Å²	113	64%	0.642	64%	0.636	S	S	*	*	H	α-helix	trans	-62.8	-36.3	179.5	-71	-31.4	0	0	0	111.9	N694 S700 S701	N694-D698 PolarHBondContact O-N 3.3Å; D698-S700 PolarHBondContact O-N 3.01Å; D698-S701 PolarHBondContact O-N 3.44Å; D698-S701 PolarHBondContact O-OG 2.67Å
699	L	45.2	Very low	43.2	Very low	141 Å²	141	115.1 Å²	115.1	74%	0.738	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-10.8	174.5	-71.9	172	0	0	0	114.6	E695 N697 S701	E695-L699 WeakPolarHBondContact O-CD1 3.32Å; E695-L699 WeakPolarHBondContact O-CG 3.45Å; N697-L699 VanDerWaalsContact C-N 3.28Å; N697-L699 PolarHBondContact O-N 3.27Å; L699-S701 VanDerWaalsContact C-N 3.3Å
700	S	43.8	Very low	42.3	Very low	104 Å²	104	118.6 Å²	118.6	73%	0.727	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-6.4	178.4	-161	0	0	0	0	113.5	N697 D698	N697-S700 WeakPolarHBondContact O-CB 3.48Å; N697-S700 PolarHBondContact O-N 3.1Å; D698-S700 PolarHBondContact O-N 3.01Å
701	S	42.3	Very low	41.1	Very low	77 Å²	77	118.9 Å²	118.9	54%	0.538	68%	0.683	S	S	.	*	S	Bend	trans	-91.6	-15.9	-168	65	0	0	0	0	115.7	D698 L699	D698-S701 PolarHBondContact O-N 3.44Å; D698-S701 PolarHBondContact O-OG 2.67Å; L699-S701 VanDerWaalsContact C-N 3.3Å
702	H	36.8	Very low	39.9	Very low	174 Å²	174	118.9 Å²	118.9	81%	0.806	69%	0.691	S	S	*	*			trans	-107.8	120.4	-176.8	-69.9	-57.5	0	0	0	112.2
703	S	30.7	Very low	39.4	Very low	111 Å²	111	124.2 Å²	124.2	78%	0.776	71%	0.714	S	S	*	*			trans	-113.5	169.6	-167.3	62.3	0	0	0	0	114.1
704	S	31	Very low	38.3	Very low	105 Å²	105	128.1 Å²	128.1	73%	0.734	73%	0.728	S	S	*	*			trans	91.5	146.6	162.8	82.3	0	0	0	0	119.9
705	L	33.2	Very low	36.9	Very low	154 Å²	154	135 Å²	135	81%	0.806	75%	0.747	S	S	*	*			trans	81.4	88.4	162.8	-57.4	172.7	0	0	0	120.5
706	S	33	Very low	35.7	Very low	115 Å²	115	134 Å²	134	80%	0.804	75%	0.75	S	S	*	*				79.1	104.9	129.7	-55.2	0	0	0	0	121.3
707	S	31.7	Very low	34.8	Very low	115 Å²	115	135 Å²	135	80%	0.804	75%	0.754	S	S	*	*			trans	-90.7	-166	172.3	-26.5	0	0	0	0	112.3
708	P	39	Very low	33.7	Very low	113 Å²	113	135 Å²	135	73%	0.734	76%	0.763	S	S	*	*			cis	-134.9	174.1	-17.3	38.5	-22.4	0	0	0	114.6
709	L	29.7	Very low	32.7	Very low	168 Å²	168	134.5 Å²	134.5	88%	0.88	77%	0.769	S	S	*	*				177.1	104.7	129	-99.6	168	0	0	0	111.9
710	L	32.3	Very low	31.9	Very low	161 Å²	161	137 Å²	137	84%	0.843	78%	0.776	S	S	*	*			trans	-157.5	146.3	167.2	-150.6	71.3	0	0	0	110.5
711	P	31.3	Very low	31.3	Very low	124 Å²	124	137.7 Å²	137.7	81%	0.805	78%	0.781	S	S	*	*			trans	-70.7	138.1	-174	-22.9	35.7	0	0	0	115.4
712	T	29.1	Very low	30.5	Very low	117 Å²	117	141.9 Å²	141.9	72%	0.718	79%	0.794	S	S	*	*			trans	-78.9	121.1	-173.2	-46.1	0	0	0	0	114	K714	T712-K714 HydrophobicContact CG2-CG 3.85Å
713	I	32.3	Very low	30.2	Very low	167 Å²	167	140.8 Å²	140.8	86%	0.856	79%	0.794	S	S	*	*			trans	-92	104.8	155.7	-62.8	178.6	0	0	0	107.8	R715	I713-R715 PolarHBondContact O-N 3.27Å
714	K	30.4	Very low	29.9	Very low	170 Å²	170	142.4 Å²	142.4	74%	0.739	79%	0.789	S	S	*	*			trans	-70.9	120.4	-179.4	-67.8	-174.9	177.6	-175.9	0	110.8	T712	T712-K714 HydrophobicContact CG2-CG 3.85Å
715	R	26.2	Very low	29.7	Very low	236 Å²	236	148.2 Å²	148.2	89%	0.891	80%	0.797	S	S	*	*			trans	-83	105.6	149	-77.2	-168.8	179	106.9	-3.4	107.5	I713 I717	I713-R715 PolarHBondContact O-N 3.27Å; R715-I717 PolarHBondContact O-N 2.88Å; R715-I717 VanDerWaalsContact O-N 3.11Å
716	T	27.2	Very low	29.4	Very low	111 Å²	111	145.2 Å²	145.2	68%	0.681	79%	0.788	S	S	*	*			trans	-80.2	91.9	177.3	-38.6	0	0	0	0	109.7
717	I	28.1	Very low	29	Very low	146 Å²	146	146.3 Å²	146.3	75%	0.749	78%	0.784	S	S	*	*			trans	-91.6	100.3	158.5	-58.6	175.6	0	0	0	105.3	R715 S719	R715-I717 PolarHBondContact O-N 2.88Å; R715-I717 VanDerWaalsContact O-N 3.11Å; I717-S719 PolarHBondContact O-N 3.49Å
718	S	27	Very low	29	Very low	107 Å²	107	147.9 Å²	147.9	75%	0.748	78%	0.783	S	S	*	*			trans	-80.2	107.7	177.7	-63.7	0	0	0	0	109.7
719	S	25.6	Very low	28.4	Very low	109 Å²	109	148.8 Å²	148.8	76%	0.762	78%	0.782	S	S	*	*			trans	-112.5	81.7	177	59.6	0	0	0	0	111	I717	I717-S719 PolarHBondContact O-N 3.49Å
720	E	29.1	Very low	28.2	Very low	193 Å²	193	147.2 Å²	147.2	90%	0.902	78%	0.775	S	S	*	*			trans	-136.4	142.6	165.9	-70.5	175.1	158.8	0	0	106.6
721	S	30.8	Very low	27.9	Very low	118 Å²	118	148.9 Å²	148.9	83%	0.825	77%	0.77	S	S	*	*			cis	-125.8	163.7	12.4	53.5	0	0	0	0	113.2
722	M	26	Very low	27.8	Very low	165 Å²	165	149.2 Å²	149.2	81%	0.813	77%	0.765	S	S	*	*			trans	-81.1	154.9	164.6	-60.8	-170.9	75.3	0	0	110.8
723	N	30.1	Very low	27.6	Very low	152 Å²	152	148.6 Å²	148.6	81%	0.813	76%	0.764	S	S	*	*				-160.4	156.9	127.8	-101.6	-37.3	0	0	0	112.7
724	H	25.9	Very low	27.2	Very low	144 Å²	144	145.8 Å²	145.8	67%	0.667	76%	0.758	S	S	*	*			trans	-48.6	153.4	-179.7	-66.1	-96.4	0	0	0	113.7
725	Y	26.7	Very low	27	Very low	228 Å²	228	145.7 Å²	145.7	89%	0.894	76%	0.758	S	S	*	*				-151.4	167.5	58.4	-98.8	-89.2	0	0	0	116.5
726	S	25.5	Very low	27	Very low	90 Å²	90	142 Å²	142	63%	0.629	75%	0.751	S	S	*	*			trans	-101.6	149.1	-171.7	-55.5	0	0	0	0	114.4
727	I	25.6	Very low	27.1	Very low	138 Å²	138	144.4 Å²	144.4	71%	0.708	75%	0.754	S	S	*	*			trans	39.2	110.5	136.5	-52.3	165.3	0	0	0	118
728	N	30.5	Very low	27	Very low	149 Å²	149	144.8 Å²	144.8	80%	0.797	76%	0.757	S	S	*	*				-166	126.2	121.5	-88.2	-38.3	0	0	0	107.1
729	N	26.4	Very low	27.2	Very low	131 Å²	131	147.4 Å²	147.4	70%	0.701	76%	0.757	S	S	*	*				62.4	124.1	58.1	-83.7	-8	0	0	0	114.9
730	N	26.5	Very low	27.4	Very low	136 Å²	136	149.8 Å²	149.8	73%	0.727	76%	0.756	S	S	*	*			trans	67.2	144.9	172.3	-61.7	-24.9	0	0	0	115.7
731	R	26.2	Very low	27.7	Very low	195 Å²	195	146.2 Å²	146.2	74%	0.736	75%	0.75	S	S	*	*			cis	-167.4	154	-14.9	-123.6	-176.2	-171.4	160.8	1	108.3
732	D	29.4	Very low	27.8	Very low	131 Å²	131	148.2 Å²	148.2	70%	0.701	75%	0.748	S	S	*	*			trans	59.9	170.4	155.3	-47	-24.2	0	0	0	116
733	C	24.9	Very low	28.1	Very low	105 Å²	105	146.3 Å²	146.3	71%	0.709	74%	0.741	S	S	*	*			cis	-155.6	155.4	-46.7	-103.7	0	0	0	0	109.2
734	C	24.2	Very low	28.3	Very low	107 Å²	107	144.3 Å²	144.3	72%	0.723	73%	0.731	S	S	*	*			trans	68	134.1	148.5	-70.5	0	0	0	0	122.6
735	F	24.2	Very low	28.7	Very low	169 Å²	169	147.3 Å²	147.3	74%	0.741	74%	0.738	S	S	*	*			trans	76.6	133.6	147.2	-77.1	-123.5	0	0	0	117.2
736	E	26.9	Very low	29.5	Very low	158 Å²	158	149 Å²	149	74%	0.738	75%	0.754	S	S	*	*				67.2	124	74.4	-115.1	164.4	-128.7	0	0	110
737	E	28.9	Very low	29.6	Very low	162 Å²	162	152 Å²	152	76%	0.757	76%	0.76	S	S	*	*			cis	-134.7	158.4	27.3	-84	171.1	110.6	0	0	112
738	L	26.4	Very low	29.9	Very low	153 Å²	153	152.7 Å²	152.7	80%	0.801	76%	0.763	S	S	*	*				40.4	107.7	90.6	-92.6	164.7	0	0	0	112.6
739	E	31.1	Very low	29.8	Very low	162 Å²	162	152.9 Å²	152.9	76%	0.757	76%	0.761	S	S	*	*				-169.5	179.1	83.7	-91.6	-152.6	113	0	0	115.6
740	Q	29.9	Very low	30	Very low	160 Å²	160	154.2 Å²	154.2	75%	0.748	76%	0.764	S	S	*	*			trans	-51.3	164.4	-165.3	-56.5	175.7	40.3	0	0	120.5
741	P	36.4	Very low	30.3	Very low	118 Å²	118	155.4 Å²	155.4	77%	0.766	77%	0.767	S	S	*	*			trans	-89.2	160.9	169.7	37.9	-35.5	0	0	0	113.3
742	M	31.3	Very low	30.5	Very low	159 Å²	159	152.7 Å²	152.7	78%	0.783	77%	0.769	S	S	*	*			trans	-150.4	152.1	156.3	-96	-54.3	-58.3	0	0	111.2
743	D	32.6	Very low	30.6	Very low	126 Å²	126	154.3 Å²	154.3	67%	0.674	77%	0.774	S	S	*	*			trans	-70.2	163.8	175.6	-40.1	-94	0	0	0	112.9
744	N	35.8	Very low	31	Very low	110 Å²	110	158.1 Å²	158.1	59%	0.588	78%	0.779	S	S	*	*				166.1	145.9	111.3	-92.5	-67.9	0	0	0	114.9
745	Y	34.1	Very low	31.6	Very low	207 Å²	207	162.3 Å²	162.3	81%	0.812	78%	0.783	S	S	*	*			trans	53.7	147.2	159.7	-54.2	-55.6	0	0	0	119.7
746	E	41.9	Very low	32.3	Very low	264 Å²	264	161.7 Å²	161.7	100%	1.234	79%	0.787	S	S	*	*			cis	-100	0	3.2	-63.8	-179.5	113.8	0	0	113.9

Retrieved 746 of 746 residues in 172.8 ms (Link to these results)

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