A0A096N2U1_PAPAN Loading...

dual-specificity kinase

AlphaFold DB , UniProt , Accession A0A096N2U1, Species PAPAN (Papio anubis, Olive baboon), Gene DYRK3, Length 588 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	35.9	Very low	246 Å²	246	148.8 Å²	148.8	100%	1.212	89%	0.885	S	S	*	*				0	149.3	0	-75.5	-164.8	-176.4	0	0	108.9
2	G	32	Very low	35.7	Very low	84 Å²	84	149.3 Å²	149.3	87%	0.866	88%	0.881	S	S	*	*			trans	-52.9	163.3	-165.9	0	0	0	0	0	115.5
3	G	32.3	Very low	35.3	Very low	65 Å²	65	145.9 Å²	145.9	67%	0.67	88%	0.88	S	S	*	*			cis	117.8	130.4	31.3	0	0	0	0	0	109.3
4	T	38	Very low	35	Very low	151 Å²	151	140.9 Å²	140.9	93%	0.926	87%	0.873	S	S	*	*			trans	88.1	143	157.8	74.2	0	0	0	0	117.3
5	A	36.2	Very low	35	Very low	98 Å²	98	140.3 Å²	140.3	81%	0.81	87%	0.871	S	S	*	*			cis	-155.8	163.5	23.8	0	0	0	0	0	114.3
6	R	37.4	Very low	35.2	Very low	254 Å²	254	139.3 Å²	139.3	96%	0.958	87%	0.868	S	S	*	*			trans	-66.4	160.8	171	-60.5	169.9	175.7	-175.2	-2.6	111.1
7	G	35.6	Very low	34.8	Very low	73 Å²	73	135.7 Å²	135.7	75%	0.753	86%	0.864	S	S	*	*			cis	174.4	-146.5	11	0	0	0	0	0	105.9
8	P	50.4	Low	34.6	Very low	139 Å²	139	134.4 Å²	134.4	90%	0.903	87%	0.868	S	S	*	*			cis	-123.7	171.8	-48.1	38.7	-23.6	0	0	0	112.6
9	G	31.7	Very low	34.2	Very low	81 Å²	81	131.3 Å²	131.3	84%	0.835	86%	0.862	S	S	*	*			trans	178.9	95.2	167.1	0	0	0	0	0	114
10	R	33.4	Very low	34	Very low	233 Å²	233	133.5 Å²	133.5	88%	0.879	87%	0.865	S	S	*	*			trans	-79.3	144.3	171.1	-80	-178.2	173.1	-175.2	-3	111.1
11	K	33.5	Very low	33.8	Very low	213 Å²	213	132.5 Å²	132.5	93%	0.926	86%	0.859	S	S	*	*			trans	-163.1	122.7	134.7	-103.5	174.7	-172.5	-175.4	0	109.7
12	D	33.1	Very low	33.6	Very low	155 Å²	155	126.7 Å²	126.7	83%	0.829	84%	0.84	S	S	*	*			trans	-77	148.6	179	-64.5	-59	0	0	0	112.6
13	A	30.7	Very low	33.4	Very low	105 Å²	105	132 Å²	132	87%	0.868	84%	0.841	S	S	*	*			trans	-177.6	113.3	134.9	0	0	0	0	0	112.9
14	G	30.5	Very low	33.2	Very low	76 Å²	76	138 Å²	138	78%	0.784	85%	0.852	S	S	*	*			trans	81.2	120.9	140.4	0	0	0	0	0	120.1
15	P	35.2	Very low	32.5	Very low	131 Å²	131	141.5 Å²	141.5	85%	0.851	85%	0.849	S	S	*	*			trans	-98.9	162.5	161.4	36.5	-28	0	0	0	113
16	P	38	Very low	32.2	Very low	125 Å²	125	148.8 Å²	148.8	81%	0.812	86%	0.855	S	S	*	*			trans	-106.7	170.9	-160.5	40	-31.5	0	0	0	114.1
17	G	29.7	Very low	31.7	Very low	78 Å²	78	144.5 Å²	144.5	80%	0.804	85%	0.85	S	S	*	*			trans	91.1	113.1	130.2	0	0	0	0	0	117.9
18	A	30.2	Very low	31.5	Very low	113 Å²	113	143.7 Å²	143.7	93%	0.934	84%	0.842	S	S	*	*			trans	-70.2	138.4	-177.1	0	0	0	0	0	114.8
19	G	26.8	Very low	30.7	Very low	74 Å²	74	145.4 Å²	145.4	76%	0.763	84%	0.843	S	S	*	*			trans	-120.4	124	159	0	0	0	0	0	109.7
20	L	30.6	Very low	30.6	Very low	176 Å²	176	144.2 Å²	144.2	92%	0.921	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-68.9	139.3	176.5	-74.8	159	0	0	0	111.3
21	P	30.7	Very low	30.8	Very low	112 Å²	112	136.2 Å²	136.2	73%	0.727	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-90.9	159.2	172.5	34.7	-30.4	0	0	0	112.5
22	P	30.4	Very low	30.9	Very low	125 Å²	125	129.2 Å²	129.2	81%	0.812	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-76.1	146.9	-174.2	-0.8	17.6	0	0	0	112.4	Q24	P22-Q24 PolarHBondContact O-N 2.95Å
23	Q	27.3	Very low	30.7	Very low	194 Å²	194	129.4 Å²	129.4	91%	0.907	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-53.9	119.7	173.9	-78.2	174.4	-15.1	0	0	112.3	R25	Q23-R25 PolarHBondContact O-N 3.28Å
24	Q	27.4	Very low	30.6	Very low	192 Å²	192	128.8 Å²	128.8	90%	0.897	76%	0.763	S	S	*	*			trans	-73.7	104.9	174.1	-149.3	163.4	23.1	0	0	109.3	P22 R26	P22-Q24 PolarHBondContact O-N 2.95Å; Q24-R26 PolarHBondContact O-N 3.18Å
25	R	24.5	Very low	30.9	Very low	225 Å²	225	128.6 Å²	128.6	85%	0.849	74%	0.74	S	S	*	*			trans	-56.6	123.7	168.4	-75.5	-177	179.7	-178.3	0.2	109.1	Q23 L27	Q23-R25 PolarHBondContact O-N 3.28Å; R25-L27 PolarHBondContact O-N 3.04Å; R25-L27 VanDerWaalsContact O-N 3.09Å
26	R	29.1	Very low	30.8	Very low	251 Å²	251	126.1 Å²	126.1	95%	0.947	72%	0.719	S	S	*	*			trans	-66.4	102.6	167.1	-65.9	-178.8	-156.5	-162.7	4.5	108.1	Q24 G28	Q24-R26 PolarHBondContact O-N 3.18Å; R26-G28 PolarHBondContact O-N 2.99Å
27	L	27.7	Very low	30.4	Very low	164 Å²	164	125.9 Å²	125.9	86%	0.859	71%	0.708	S	S	*	*			trans	-81.1	98.6	156.6	-90.1	96.4	0	0	0	107.7	R25	R25-L27 PolarHBondContact O-N 3.04Å; R25-L27 VanDerWaalsContact O-N 3.09Å
28	G	29.7	Very low	30.5	Very low	55 Å²	55	126 Å²	126	57%	0.567	69%	0.69	S	S	*	*			trans	-78.4	169.4	152.7	0	0	0	0	0	110.1	R26	R26-G28 PolarHBondContact O-N 2.99Å
29	D	34.4	Very low	30.4	Very low	175 Å²	175	125.7 Å²	125.7	94%	0.936	67%	0.672	S	S	*	*			trans	87.5	118.7	169.9	-54.2	-22.8	0	0	0	116.7
30	G	30.7	Very low	30.4	Very low	56 Å²	56	130.7 Å²	130.7	58%	0.577	68%	0.675	S	S	*	*			trans	150.3	5.6	-179.2	0	0	0	0	0	115.4
31	V	36.1	Very low	30.3	Very low	66 Å²	66	128 Å²	128	40%	0.4	67%	0.667	S	S	.	*	S	Bend	trans	-97.3	-1.2	-174.7	-172.1	0	0	0	0	113.5	F35	V31-F35 WeakPolarHBondContact O-CE2 3.48Å
32	Y	37.2	Very low	30.2	Very low	66 Å²	66	132.2 Å²	132.2	26%	0.259	67%	0.674	S	S	.	*	S	Bend	trans	-130.8	-16.9	-171.9	-66.9	-82.1	0	0	0	116.1	T34 Y296 F374 P407	Y32-T34 VanDerWaalsContact C-N 3.26Å; Y32-T34 PolarHBondContact O-N 3.22Å; Y32-T34 VanDerWaalsContact O-N 3.1Å; Y32-Y296 WeakPolarHBondContact CB-OH 3.47Å; Y32-Y296 AromaticContact CD1-CE2 3.77Å; Y32-Y296 HydrophobicContact CD1-CE2 3.77Å; Y32-Y296 AromaticContact CD1-CZ 3.84Å; Y32-Y296 HydrophobicContact CD2-CE2 4.43Å; Y32-Y296 WeakPolarHBondContact CD2-OH 3.17Å; Y32-Y296 AromaticContact CE1-CE2 3.67Å; Y32-Y296 HydrophobicContact CE1-CE2 3.67Å; Y32-Y296 HydrophobicContact CE2-CE2 4.33Å; Y32-Y296 HydrophobicContact CG-CE2 4.16Å; Y32-Y296 AromaticContact CG-CZ 3.8Å; Y32-Y296 AromaticContact CZ-CE2 3.96Å; Y32-F374 HydrophobicContact CE1-CE2 4.3Å; Y32-P407 HydrophobicContact CE1-CG 4.43Å; Y32-P407 WeakPolarHBondContact OH-CD 3.34Å; Y32-P407 WeakPolarHBondContact OH-CG 3.35Å
33	D	28.6	Very low	29.9	Very low	159 Å²	159	131.5 Å²	131.5	85%	0.85	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	21.5	-173.7	-72.8	-28.3	0	0	0	115.2
34	T	28.6	Very low	30	Very low	91 Å²	91	127.5 Å²	127.5	56%	0.558	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.2	21.1	-176.7	-22.7	0	0	0	0	115.3	Y32 M36	Y32-T34 VanDerWaalsContact C-N 3.26Å; Y32-T34 PolarHBondContact O-N 3.22Å; Y32-T34 VanDerWaalsContact O-N 3.1Å; T34-M36 PolarHBondContact O-N 3.31Å
35	F	36.1	Very low	30.1	Very low	72 Å²	72	124.5 Å²	124.5	32%	0.316	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.1	59.9	-171.9	-65.5	-68.5	0	0	0	114.2	V31	V31-F35 WeakPolarHBondContact O-CE2 3.48Å
36	M	32.8	Very low	30.2	Very low	80 Å²	80	120.1 Å²	120.1	39%	0.394	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	-142.3	32.1	152.3	-76.2	-149	-175.4	0	0	112.6	T34 I38 S219 F220	T34-M36 PolarHBondContact O-N 3.31Å; M36-I38 PolarHBondContact O-N 3.39Å; M36-S219 PolarHBondContact SD-OG 3.35Å; M36-F220 HydrophobicContact SD-CD2 4.39Å; M36-F220 HydrophobicContact SD-CE2 4.48Å
37	M	30.2	Very low	30.2	Very low	119 Å²	119	113 Å²	113	59%	0.586	65%	0.649	S	S	*	*			trans	-82.3	99	167.4	-64.5	-113.8	-68.4	0	0	108.7	D39	M37-D39 PolarHBondContact O-N 3.02Å; M37-D39 VanDerWaalsContact O-N 3.12Å
38	I	31.7	Very low	30.3	Very low	82 Å²	82	112.6 Å²	112.6	42%	0.421	65%	0.648	S	S	.	*			trans	-70.8	92.2	152	-60.6	175.4	0	0	0	104.2	M36 E40 Y369	M36-I38 PolarHBondContact O-N 3.39Å; I38-E40 PolarHBondContact O-N 3.14Å; I38-Y369 HydrophobicContact CB-CE1 4.47Å; I38-Y369 HydrophobicContact CG1-CD1 4.42Å; I38-Y369 HydrophobicContact CG1-CE1 4.32Å; I38-Y369 HydrophobicContact CG2-CD1 4Å; I38-Y369 HydrophobicContact CG2-CE1 4.29Å
39	D	27	Very low	30.3	Very low	106 Å²	106	116.8 Å²	116.8	57%	0.567	66%	0.662	S	S	*	*			trans	-58.2	122.9	172.2	-91.3	-27.9	0	0	0	108.7	M37 T41	M37-D39 PolarHBondContact O-N 3.02Å; M37-D39 VanDerWaalsContact O-N 3.12Å; D39-T41 PolarHBondContact O-N 3.3Å
40	E	27.5	Very low	30.1	Very low	178 Å²	178	116.6 Å²	116.6	83%	0.832	66%	0.66	S	S	*	*			trans	-66.4	100.9	172.7	-68.2	-168.7	156.6	0	0	110	I38 K42	I38-E40 PolarHBondContact O-N 3.14Å; E40-K42 PolarHBondContact O-N 3.42Å
41	T	28	Very low	30	Very low	121 Å²	121	119.7 Å²	119.7	74%	0.742	67%	0.671	S	S	*	*			trans	-87.8	103.4	160.8	55.7	0	0	0	0	109.2	D39 C43	D39-T41 PolarHBondContact O-N 3.3Å; T41-C43 PolarHBondContact O-N 3.05Å; T41-C43 VanDerWaalsContact O-N 3.16Å
42	K	28.5	Very low	29.6	Very low	200 Å²	200	124.2 Å²	124.2	87%	0.87	69%	0.693	S	S	*	*			trans	-58.2	110.3	159.1	-74.8	177.7	178.5	174.7	0	108.5	E40	E40-K42 PolarHBondContact O-N 3.42Å
43	C	25.6	Very low	29.6	Very low	109 Å²	109	126.2 Å²	126.2	74%	0.736	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-103.6	138.2	159.3	-81.8	0	0	0	0	109.1	T41	T41-C43 PolarHBondContact O-N 3.05Å; T41-C43 VanDerWaalsContact O-N 3.16Å
44	P	27.5	Very low	29.5	Very low	111 Å²	111	124.3 Å²	124.3	72%	0.721	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-71.3	152.8	179.5	29.1	-31.9	0	0	0	111	C46	P44-C46 PolarHBondContact O-N 2.95Å
45	P	30.7	Very low	29.6	Very low	128 Å²	128	129.1 Å²	129.1	83%	0.831	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-70.2	123.6	-179.3	26.7	-30.5	0	0	0	110.8	S47	P45-S47 PolarHBondContact O-N 3.22Å
46	C	26.4	Very low	29.5	Very low	133 Å²	133	130.9 Å²	130.9	90%	0.899	75%	0.749	S	S	*	*			trans	-72.1	110.6	159	-72.4	0	0	0	0	108.3	P44	P44-C46 PolarHBondContact O-N 2.95Å
47	S	29.8	Very low	29.5	Very low	101 Å²	101	132.9 Å²	132.9	71%	0.706	77%	0.767	S	S	*	*			trans	-66.1	128	166.1	46.4	0	0	0	0	110.4	P45	P45-S47 PolarHBondContact O-N 3.22Å
48	N	28.9	Very low	29.7	Very low	156 Å²	156	132.9 Å²	132.9	83%	0.834	78%	0.776	S	S	*	*			trans	171	94.8	138.6	-86.1	-11	0	0	0	109.6
49	V	29.9	Very low	29.7	Very low	144 Å²	144	135.1 Å²	135.1	87%	0.873	80%	0.796	S	S	*	*			trans	-138.4	127.1	152.5	-178.3	0	0	0	0	107.8
50	L	29.7	Very low	29.8	Very low	171 Å²	171	141.4 Å²	141.4	90%	0.895	81%	0.812	S	S	*	*			trans	-59.4	137.1	179.9	-74.1	125.1	0	0	0	112.3
51	C	28.2	Very low	29.9	Very low	120 Å²	120	143.8 Å²	143.8	81%	0.811	81%	0.813	S	S	*	*			trans	-75.8	145.5	170	-68.5	0	0	0	0	111.7
52	N	28	Very low	29.8	Very low	161 Å²	161	145.4 Å²	145.4	86%	0.861	82%	0.817	S	S	*	*			trans	-135.5	140.2	143.8	-117.3	-1	0	0	0	108.7
53	P	36.9	Very low	29.6	Very low	108 Å²	108	143.1 Å²	143.1	70%	0.701	81%	0.814	S	S	*	*			trans	-105.9	142.7	-159.3	37	-28.1	0	0	0	113.4
54	S	26.9	Very low	29.6	Very low	119 Å²	119	146 Å²	146	83%	0.832	82%	0.818	S	S	*	*			trans	-156.6	107.2	157.1	-49.7	0	0	0	0	110.9
55	E	31.3	Very low	29.5	Very low	192 Å²	192	146.1 Å²	146.1	90%	0.897	82%	0.818	S	S	*	*			trans	81.4	155.3	147	-83.1	-169.3	171	0	0	122.9
56	P	33.9	Very low	29.3	Very low	110 Å²	110	145.9 Å²	145.9	71%	0.714	81%	0.814	S	S	*	*				-109	172.2	-116.6	42	-39.2	0	0	0	116.1
57	P	32.9	Very low	29.3	Very low	121 Å²	121	149.1 Å²	149.1	79%	0.786	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-96.6	152.7	-175.6	37	-31.4	0	0	0	114.3
58	P	34.2	Very low	29.2	Very low	119 Å²	119	152.3 Å²	152.3	77%	0.773	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-91.6	166.8	166.2	35.8	-30.5	0	0	0	112.7
59	P	31.7	Very low	28.9	Very low	129 Å²	129	152.8 Å²	152.8	84%	0.838	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-91.6	156.2	-145.5	34.3	-34.4	0	0	0	115.9
60	R	29.9	Very low	28.7	Very low	238 Å²	238	153.6 Å²	153.6	90%	0.898	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.8	148.1	169.8	-72	178.2	171.1	177.6	-2.6	112.3
61	R	29.1	Very low	28.6	Very low	229 Å²	229	155.3 Å²	155.3	86%	0.864	80%	0.804	S	S	*	*			trans	159.8	143.8	133.3	-95	-177.8	-164.2	-140.9	6.5	108.3
62	L	26.2	Very low	28.3	Very low	155 Å²	155	157.2 Å²	157.2	81%	0.812	81%	0.806	S	S	*	*			cis	-154.6	156	24.6	-97.7	133.3	0	0	0	111.1
63	N	24.9	Very low	28.3	Very low	152 Å²	152	157 Å²	157	81%	0.813	80%	0.8	S	S	*	*			trans	-66.1	151.3	166.4	-70.6	-23	0	0	0	112.3
64	M	25.4	Very low	27.8	Very low	168 Å²	168	158.4 Å²	158.4	83%	0.828	81%	0.806	S	S	*	*			trans	-146.3	114.6	140.9	-85	-125.4	86.5	0	0	111.2
65	T	25.3	Very low	27.7	Very low	115 Å²	115	160.4 Å²	160.4	71%	0.706	80%	0.803	S	S	*	*			trans	42.9	120.1	137.4	50.3	0	0	0	0	123.1
66	T	26.3	Very low	27.5	Very low	122 Å²	122	160.2 Å²	160.2	75%	0.748	80%	0.802	S	S	*	*			trans	-36.6	135.8	148.8	-37.3	0	0	0	0	116.1
67	E	26.2	Very low	27	Very low	202 Å²	202	163.8 Å²	163.8	94%	0.944	81%	0.806	S	S	*	*			trans	-138.2	150.6	137.7	-84.3	-157.5	155.3	0	0	110.7
68	K	26.7	Very low	26.6	Very low	168 Å²	168	166.2 Å²	166.2	73%	0.73	81%	0.811	S	S	*	*			trans	-123.1	140.8	-159.8	-119.4	-170.4	179.9	180	0	108.9
69	F	24.3	Very low	26.2	Very low	166 Å²	166	168.4 Å²	168.4	73%	0.728	82%	0.817	S	S	*	*			trans	66.5	138	158.4	-76.3	-91.9	0	0	0	116.7
70	I	25.2	Very low	25.7	Very low	161 Å²	161	165.7 Å²	165.7	83%	0.826	81%	0.812	S	S	*	*				-151.3	139.5	74.7	-78.3	157.7	0	0	0	111.1
71	R	26.9	Very low	25.4	Very low	207 Å²	207	157.9 Å²	157.9	78%	0.781	81%	0.806	S	S	*	*			trans	-79.5	139.5	161	-85.6	176.5	166.2	170.8	-5.6	108.4
72	D	22.8	Very low	25.2	Very low	160 Å²	160	156.2 Å²	156.2	86%	0.856	81%	0.808	S	S	*	*			trans	-149.1	144.9	137.5	-122.5	-18.1	0	0	0	113.3
73	H	27.5	Very low	25.2	Very low	157 Å²	157	157.6 Å²	157.6	73%	0.727	81%	0.812	S	S	*	*			trans	-83.7	142.9	-176.2	-79.7	-76.4	0	0	0	111.6
74	T	25.9	Very low	25.1	Very low	136 Å²	136	159.5 Å²	159.5	83%	0.834	81%	0.813	S	S	*	*				-161.2	129.1	126.9	-16.7	0	0	0	0	112
75	Q	25.9	Very low	25	Very low	162 Å²	162	158 Å²	158	76%	0.757	81%	0.814	S	S	*	*			trans	-76.2	145.2	166.7	-72.3	171.8	-37.4	0	0	110.1
76	H	25.8	Very low	25	Very low	188 Å²	188	160.9 Å²	160.9	87%	0.87	82%	0.819	S	S	*	*			trans	-144.3	122	148.1	-101.9	-76.4	0	0	0	110.1
77	F	23.3	Very low	24.9	Very low	185 Å²	185	162.9 Å²	162.9	81%	0.811	82%	0.82	S	S	*	*			trans	-87.8	135.1	166.4	-97.5	-96.8	0	0	0	109.4
78	L	25.5	Very low	24.8	Very low	171 Å²	171	161.2 Å²	161.2	90%	0.895	82%	0.816	S	S	*	*			trans	-166.8	103.7	146.3	-75.9	-173.7	0	0	0	105
79	D	24.8	Very low	24.7	Very low	166 Å²	166	161.7 Å²	161.7	89%	0.888	82%	0.819	S	S	*	*				70.3	134.1	82.4	-157.7	26.5	0	0	0	115.8
80	G	22.8	Very low	24.7	Very low	72 Å²	72	162.3 Å²	162.3	74%	0.742	82%	0.824	S	S	*	*			trans	95.7	105.8	158.1	0	0	0	0	0	118.5
81	G	23.7	Very low	24.8	Very low	74 Å²	74	163.2 Å²	163.2	76%	0.763	83%	0.825	S	S	*	*			trans	167.9	62	162	0	0	0	0	0	116.4	M83	G81-M83 PolarHBondContact O-N 3.38Å
82	E	24	Very low	24.8	Very low	194 Å²	194	163.4 Å²	163.4	91%	0.907	83%	0.832	S	S	*	*			trans	-59	117.5	163.9	-72.5	-176.9	144.8	0	0	110.4
83	M	25.2	Very low	24.9	Very low	184 Å²	184	158.8 Å²	158.8	91%	0.906	82%	0.821	S	S	*	*			trans	-101.1	106.3	162.5	-80.3	-165.9	-174.9	0	0	109.8	G81 V85	G81-M83 PolarHBondContact O-N 3.38Å; M83-V85 PolarHBondContact O-N 2.94Å
84	K	23.4	Very low	24.9	Very low	192 Å²	192	159.6 Å²	159.6	84%	0.835	83%	0.831	S	S	*	*			trans	-56.4	122.8	162.1	-81.1	174.2	173.4	174.4	0	109.6
85	V	24.2	Very low	25	Very low	137 Å²	137	165.1 Å²	165.1	83%	0.83	84%	0.837	S	S	*	*			trans	-90.9	99.6	165	176.8	0	0	0	0	107.2	M83 Q87	M83-V85 PolarHBondContact O-N 2.94Å; V85-Q87 PolarHBondContact O-N 3.42Å
86	E	24.2	Very low	25.1	Very low	174 Å²	174	166.9 Å²	166.9	81%	0.813	84%	0.842	S	S	*	*			trans	-71	123.3	167.4	-85.7	177.4	161.8	0	0	109.9	L88	E86-L88 PolarHBondContact O-N 3.26Å
87	Q	24.8	Very low	25.2	Very low	165 Å²	165	162.9 Å²	162.9	77%	0.771	84%	0.835	S	S	*	*			trans	-71.6	112.5	171.4	-77.4	174.8	-25.6	0	0	109.8	V85 F89	V85-Q87 PolarHBondContact O-N 3.42Å; Q87-F89 HydrophobicContact CB-CD2 4.44Å
88	L	24.3	Very low	25.3	Very low	166 Å²	166	162.2 Å²	162.2	87%	0.869	84%	0.84	S	S	*	*			trans	-91.4	95.8	160.4	-83.6	162.2	0	0	0	109	E86	E86-L88 PolarHBondContact O-N 3.26Å
89	F	24.9	Very low	25.4	Very low	179 Å²	179	160.2 Å²	160.2	79%	0.785	84%	0.835	S	S	*	*			trans	-90.5	120.8	153.5	-86.3	-90.3	0	0	0	107.4	Q87	Q87-F89 HydrophobicContact CB-CD2 4.44Å
90	Q	24.6	Very low	25.5	Very low	178 Å²	178	158.9 Å²	158.9	83%	0.832	83%	0.833	S	S	*	*			trans	-139	119.5	157.2	-134.9	165.6	21.4	0	0	110.7
91	E	27.3	Very low	25.8	Very low	181 Å²	181	164.1 Å²	164.1	85%	0.846	84%	0.838	S	S	*	*			trans	-65.9	145.7	176.3	-61.3	168.5	142	0	0	110.7
92	F	25.4	Very low	26.1	Very low	211 Å²	211	165.1 Å²	165.1	93%	0.925	83%	0.833	S	S	*	*			trans	-114.8	94.8	159.8	-90.2	-81.7	0	0	0	109.3
93	G	26.5	Very low	26.3	Very low	62 Å²	62	163.9 Å²	163.9	64%	0.639	83%	0.832	S	S	*	*			trans	-89	144.3	154.8	0	0	0	0	0	110.3	R95	G93-R95 PolarHBondContact O-N 3.16Å
94	N	27.4	Very low	26.3	Very low	175 Å²	175	158.6 Å²	158.6	94%	0.936	83%	0.825	S	S	*	*			trans	-43.6	125	179.1	-77.7	-26.9	0	0	0	114.3
95	R	27.5	Very low	26.6	Very low	251 Å²	251	157.3 Å²	157.3	95%	0.947	83%	0.826	S	S	*	*			trans	-88	114.4	162.3	-80.5	-175.3	175.7	-176.9	-1.3	110.1	G93	G93-R95 PolarHBondContact O-N 3.16Å
96	K	27.8	Very low	26.7	Very low	200 Å²	200	154.9 Å²	154.9	87%	0.87	82%	0.815	S	S	*	*			trans	-87.7	139.6	152.3	-82.9	-175.7	175	-178	0	108.5
97	S	27.9	Very low	26.9	Very low	103 Å²	103	153.9 Å²	153.9	72%	0.72	82%	0.815	S	S	*	*			trans	-62.9	137.6	177.4	48.2	0	0	0	0	113.1
98	N	25.1	Very low	27	Very low	171 Å²	171	150.6 Å²	150.6	91%	0.914	81%	0.81	S	S	*	*			trans	-120.7	126.1	155.6	-90	-5.9	0	0	0	108.7
99	T	27.9	Very low	27.3	Very low	129 Å²	129	151.6 Å²	151.6	79%	0.791	81%	0.811	S	S	*	*			trans	-99.2	140.4	176.4	-42.9	0	0	0	0	108
100	V	26.5	Very low	27.4	Very low	139 Å²	139	152.3 Å²	152.3	84%	0.842	81%	0.813	S	S	*	*			trans	-124.8	118.8	161.5	174.4	0	0	0	0	106.7
101	Q	28.6	Very low	27.4	Very low	181 Å²	181	149.8 Å²	149.8	85%	0.846	81%	0.814	S	S	*	*			trans	-162.9	128.8	146.3	-109.5	173	10	0	0	111.3
102	S	30	Very low	27.2	Very low	95 Å²	95	146 Å²	146	66%	0.664	81%	0.808	S	S	*	*			trans	-6.7	140.1	159.5	54.6	0	0	0	0	123.1
103	D	28.3	Very low	27.7	Very low	168 Å²	168	141.6 Å²	141.6	90%	0.898	80%	0.8	S	S	*	*				50.6	128.6	130	-58.7	-24.5	0	0	0	122.8
104	G	26.2	Very low	27.7	Very low	73 Å²	73	144.4 Å²	144.4	75%	0.753	81%	0.805	S	S	*	*			trans	148.7	88.2	153.7	0	0	0	0	0	117.1
105	I	28.5	Very low	27.6	Very low	165 Å²	165	141.9 Å²	141.9	85%	0.846	80%	0.796	S	S	*	*			trans	41	139.6	132.8	-57.7	175.5	0	0	0	121.7
106	S	27	Very low	27.5	Very low	87 Å²	87	134.6 Å²	134.6	61%	0.608	78%	0.783	S	S	*	*			trans	-31.5	143.4	172.9	54.5	0	0	0	0	119.8
107	D	28.2	Very low	27.5	Very low	153 Å²	153	134.4 Å²	134.4	82%	0.818	79%	0.785	S	S	*	*				179.5	162.7	99.5	-104.9	-29.1	0	0	0	114.2
108	S	28.1	Very low	27.5	Very low	95 Å²	95	133.1 Å²	133.1	66%	0.664	79%	0.789	S	S	*	*			trans	-49.7	150.8	177.8	53.7	0	0	0	0	117.4
109	E	29.3	Very low	27.7	Very low	188 Å²	188	135.6 Å²	135.6	88%	0.879	79%	0.791	S	S	*	*				174.7	162.4	111.4	-95.5	-168.7	157.5	0	0	114.5
110	K	27.6	Very low	27.6	Very low	194 Å²	194	135.1 Å²	135.1	84%	0.843	79%	0.793	S	S	*	*			trans	-74	160.4	-165.7	-67.2	164	172.4	167.3	0	115.2
111	C	23.7	Very low	27.7	Very low	125 Å²	125	133.2 Å²	133.2	85%	0.845	79%	0.786	S	S	*	*				125.9	129.3	118.5	-123.4	0	0	0	0	116.8
112	S	24.6	Very low	27.6	Very low	102 Å²	102	131.5 Å²	131.5	71%	0.713	78%	0.783	S	S	*	*			trans	-78.1	174.2	177.4	-35.8	0	0	0	0	112
113	P	35.1	Very low	27.5	Very low	117 Å²	117	132.1 Å²	132.1	76%	0.76	79%	0.786	S	S	*	*				-139.1	143.2	74.6	23.7	-0.8	0	0	0	114.5
114	T	25.7	Very low	28	Very low	122 Å²	122	131.5 Å²	131.5	75%	0.748	78%	0.782	S	S	*	*				54	122.8	90.6	-6	0	0	0	0	112.8
115	V	26.3	Very low	28	Very low	122 Å²	122	135.2 Å²	135.2	74%	0.739	78%	0.784	S	S	*	*				-170.4	136.5	67.2	164.5	0	0	0	0	112.5
116	S	24.8	Very low	28.4	Very low	98 Å²	98	133.8 Å²	133.8	69%	0.685	78%	0.783	S	S	*	*			trans	48.4	125.8	148.7	78.6	0	0	0	0	124.1
117	Q	28.3	Very low	28.5	Very low	195 Å²	195	135.9 Å²	135.9	91%	0.911	79%	0.792	S	S	*	*				173.1	136.4	105.8	-88.6	-175.9	6.8	0	0	105.8
118	G	27.1	Very low	28.6	Very low	77 Å²	77	137.6 Å²	137.6	79%	0.794	79%	0.792	S	S	*	*			cis	134.3	111.5	45	0	0	0	0	0	104.6
119	K	29.1	Very low	28.9	Very low	222 Å²	222	139.1 Å²	139.1	97%	0.965	80%	0.803	S	S	*	*			trans	-70.3	142.4	-170.1	-72.5	176.6	175.6	177	0	111.9
120	S	26.8	Very low	29.2	Very low	120 Å²	120	134.7 Å²	134.7	84%	0.839	79%	0.793	S	S	*	*			trans	-95.9	134.9	175.6	173.5	0	0	0	0	110.9
121	S	28.5	Very low	29.8	Very low	98 Å²	98	130.7 Å²	130.7	69%	0.685	79%	0.79	S	S	*	*			trans	-155.9	131.3	143.4	55.8	0	0	0	0	110.9
122	D	26.7	Very low	30.7	Very low	145 Å²	145	129.8 Å²	129.8	78%	0.775	79%	0.785	S	S	*	*			trans	104.7	125.7	143.4	-64.7	-18.9	0	0	0	122.5
123	C	27	Very low	31.6	Very low	108 Å²	108	130.6 Å²	130.6	73%	0.73	79%	0.79	S	S	*	*			trans	83.6	112.9	144	-66.8	0	0	0	0	121.4
124	L	38.8	Very low	32.5	Very low	156 Å²	156	134.3 Å²	134.3	82%	0.817	80%	0.795	S	S	*	*			trans	31	113	130.2	-67.9	160.4	0	0	0	117.6
125	N	26.3	Very low	34.2	Very low	151 Å²	151	132.5 Å²	132.5	81%	0.807	79%	0.792	S	S	*	*				-172.9	146.4	123.5	-94.6	-32.1	0	0	0	113.4
126	T	38.1	Very low	36.3	Very low	134 Å²	134	132.5 Å²	132.5	82%	0.822	79%	0.794	S	S	*	*			trans	-21.1	125.1	161.2	27.1	0	0	0	0	116.4
127	V	29.5	Very low	38.9	Very low	132 Å²	132	137.3 Å²	137.3	80%	0.8	80%	0.803	S	S	*	*			trans	-133.6	130.2	161.2	-176.3	0	0	0	0	111.2
128	K	28.9	Very low	41.9	Very low	188 Å²	188	130.2 Å²	130.2	82%	0.817	77%	0.773	S	S	*	*			trans	-33.9	139.5	170.2	-68.3	164.2	174.1	173.8	0	113.8	S130	K128-S130 PolarHBondContact O-N 2.57Å
129	S	35.8	Very low	45	Very low	127 Å²	127	132.7 Å²	132.7	89%	0.888	77%	0.772	S	S	*	*			trans	-60.4	96.9	165.6	55.1	0	0	0	0	110.7
130	S	33.8	Very low	48.3	Very low	95 Å²	95	123.9 Å²	123.9	66%	0.664	74%	0.738	S	S	*	*			trans	-102.3	119.8	168.4	54.5	0	0	0	0	110.5	K128	K128-S130 PolarHBondContact O-N 2.57Å
131	S	40	Very low	51.7	Low	111 Å²	111	120.6 Å²	120.6	78%	0.776	71%	0.711	S	S	*	*			trans	52.1	93.1	155.1	61.9	0	0	0	0	118.1	S133	S131-S133 PolarHBondContact O-N 2.92Å
132	S	42.8	Very low	55	Low	106 Å²	106	118.5 Å²	118.5	74%	0.741	69%	0.693	S	S	*	*			trans	-62.9	116.5	153.8	59	0	0	0	0	109.4	K134	S132-K134 PolarHBondContact O-N 3.47Å
133	S	44.2	Very low	58.4	Low	119 Å²	119	112 Å²	112	83%	0.832	66%	0.659	S	S	*	*			trans	-57	107.3	164.8	43.2	0	0	0	0	109	S131 A135	S131-S133 PolarHBondContact O-N 2.92Å; S133-A135 PolarHBondContact O-N 2.92Å
134	K	54.4	Low	61.8	Low	195 Å²	195	111.7 Å²	111.7	85%	0.848	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-65.4	119.8	175.3	-76.1	178.9	179.2	173.8	0	107.9	S132	S132-K134 PolarHBondContact O-N 3.47Å
135	A	61.2	Low	64.6	Low	83 Å²	83	108.8 Å²	108.8	69%	0.686	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-51.2	142.7	170.1	0	0	0	0	0	110.1	S133 K137	S133-A135 PolarHBondContact O-N 2.92Å; A135-K137 PolarHBondContact O-N 3.15Å
136	P	70.1	Confident	68	Low	123 Å²	123	101.6 Å²	101.6	80%	0.799	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-58.8	130.2	-179.4	22.3	-31.2	0	0	0	110.1	V138	P136-V138 PolarHBondContact O-N 3.25Å
137	K	79.2	Confident	70.9	Confident	198 Å²	198	97.2 Å²	97.2	86%	0.861	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-63.4	127	176.8	-72.6	-175.7	177.3	-178.3	0	109.1	A135 V139	A135-K137 PolarHBondContact O-N 3.15Å; K137-V139 PolarHBondContact O-N 2.71Å
138	V	90.8	Very high	74.1	Confident	47 Å²	47	99.2 Å²	99.2	29%	0.285	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-70.1	122.2	175.8	-176	0	0	0	0	108.5	P136 Y169 R232	P136-V138 PolarHBondContact O-N 3.25Å; V138-Y169 HydrophobicContact CG1-CD1 3.97Å; V138-Y169 HydrophobicContact CG1-CE1 4.24Å; V138-R232 HydrophobicContact CG2-CG 3.93Å
139	V	94.1	Very high	77.4	Confident	128 Å²	128	95.8 Å²	95.8	78%	0.776	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-88.9	119.5	174.8	-178.4	0	0	0	0	108.3	K137	K137-V139 PolarHBondContact O-N 2.71Å
140	P	97.1	Very high	80.3	Confident	37 Å²	37	92.8 Å²	92.8	24%	0.24	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-73	156	176.1	30.2	-33.4	0	0	0	111.4	E167 Y169	P140-E167 HydrophobicContact CB-CB 3.83Å; P140-E167 HydrophobicContact CB-CG 4.48Å; P140-E167 HydrophobicContact CG-CB 3.98Å; P140-E167 HydrophobicContact CG-CG 4.08Å; P140-Y169 HydrophobicContact CB-CD1 4.18Å; P140-Y169 HydrophobicContact CB-CD2 4.34Å; P140-Y169 HydrophobicContact CB-CE1 3.83Å; P140-Y169 HydrophobicContact CB-CE2 3.99Å; P140-Y169 HydrophobicContact CB-CG 4.42Å; P140-Y169 HydrophobicContact CG-CE1 4.28Å
141	L	98.1	Very high	83.3	Confident	52 Å²	52	94 Å²	94	27%	0.272	51%	0.51	S	S	.	.	B	Isolated β-bridge	trans	-80.4	153.2	165.3	-62.1	177.1	0	0	0	110.1	Q145 Y150 I168	L141-Q145 HydrophobicContact CB-CB 4.29Å; L141-Q145 HydrophobicContact CD2-CB 4.39Å; L141-Y150 HydrophobicContact CD1-CE2 3.9Å; L141-I168 HydrophobicContact CB-CB 4.22Å; L141-I168 PolarHBondContact N-O 3.34Å; L141-I168 WeakPolarHBondContact O-CB 3.44Å; L141-I168 PolarHBondContact O-N 3.15Å
142	T	98.4	Very high	86	Confident	53 Å²	53	97 Å²	97	33%	0.325	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-77.5	160.3	164.4	81.6	0	0	0	0	110.6	E144 Q145 A146	T142-E144 VanDerWaalsContact C-N 3.26Å; T142-E144 VanDerWaalsContact CB-OE2 3.25Å; T142-E144 WeakPolarHBondContact CB-OE2 3.38Å; T142-E144 PolarHBondContact O-N 3.47Å; T142-E144 PolarHBondContact OG1-N 3.28Å; T142-E144 PolarHBondContact OG1-OE2 3.12Å; T142-Q145 PolarHBondContact O-N 2.95Å; T142-Q145 WeakPolarHBondContact OG1-CG 3.39Å; T142-Q145 PolarHBondContact OG1-N 3.31Å; T142-A146 PolarHBondContact O-N 3.22Å
143	P	98.3	Very high	88.6	Confident	8 Å²	8	96 Å²	96	5%	0.052	50%	0.495	C	S	.	.	H	α-helix	trans	-53.2	-40.8	173.9	-29	37.1	0	0	0	113.5	A146 L147 I162 I163 Y165	P143-A146 PolarHBondContact O-N 2.8Å; P143-L147 WeakPolarHBondContact O-CB 3.46Å; P143-L147 VanDerWaalsContact O-CG 3.26Å; P143-L147 WeakPolarHBondContact O-CG 3.21Å; P143-L147 PolarHBondContact O-N 2.81Å; P143-I162 HydrophobicContact CB-CG1 4.45Å; P143-I162 WeakPolarHBondContact CG-O 3.21Å; P143-I163 HydrophobicContact CB-CD1 4.18Å; P143-Y165 VanDerWaalsContact CG-O 3.25Å; P143-Y165 WeakPolarHBondContact CG-O 3.36Å
144	E	97.9	Very high	91.2	Very high	103 Å²	103	90.9 Å²	90.9	48%	0.481	46%	0.458	S	S	.	.	H	α-helix	trans	-67.4	-40.1	-178.6	-56.2	70.8	-151.3	0	0	111.4	T142 K148	T142-E144 VanDerWaalsContact C-N 3.26Å; T142-E144 VanDerWaalsContact CB-OE2 3.25Å; T142-E144 WeakPolarHBondContact CB-OE2 3.38Å; T142-E144 PolarHBondContact O-N 3.47Å; T142-E144 PolarHBondContact OG1-N 3.28Å; T142-E144 PolarHBondContact OG1-OE2 3.12Å; E144-K148 VanDerWaalsContact O-CG 3.31Å; E144-K148 WeakPolarHBondContact O-CG 3.45Å; E144-K148 PolarHBondContact O-N 3.12Å; E144-K148 VanDerWaalsContact O-N 3.12Å
145	Q	98.1	Very high	93.3	Very high	94 Å²	94	82 Å²	82	44%	0.439	42%	0.42	S	S	.	.	H	α-helix	trans	-65.1	-46.4	175	-68.5	172	-21.4	0	0	110.5	L141 T142 L147 K148 Q149	L141-Q145 HydrophobicContact CB-CB 4.29Å; L141-Q145 HydrophobicContact CD2-CB 4.39Å; T142-Q145 PolarHBondContact O-N 2.95Å; T142-Q145 WeakPolarHBondContact OG1-CG 3.39Å; T142-Q145 PolarHBondContact OG1-N 3.31Å; Q145-L147 PolarHBondContact O-N 3.35Å; Q145-K148 PolarHBondContact O-N 3.39Å; Q145-Q149 WeakPolarHBondContact O-CB 3.25Å; Q145-Q149 PolarHBondContact O-N 3.45Å
146	A	98.1	Very high	95	Very high	0 Å²	0	81.7 Å²	81.7	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-62.9	-40.8	178.2	0	0	0	0	0	112.2	T142 P143 K148 Q149 Y150 I162 I168	T142-A146 PolarHBondContact O-N 3.22Å; P143-A146 PolarHBondContact O-N 2.8Å; A146-K148 VanDerWaalsContact C-N 3.33Å; A146-K148 PolarHBondContact O-N 3.04Å; A146-Q149 PolarHBondContact O-N 3.04Å; A146-Y150 WeakPolarHBondContact O-CA 3.31Å; A146-Y150 WeakPolarHBondContact O-CB 3.45Å; A146-Y150 PolarHBondContact O-N 3.23Å; A146-I162 HydrophobicContact CB-CD1 3.77Å; A146-I168 HydrophobicContact CB-CB 4.26Å; A146-I168 HydrophobicContact CB-CG1 4.16Å; A146-I168 HydrophobicContact CB-CG2 3.9Å
147	L	98	Very high	96.4	Very high	43 Å²	43	77.6 Å²	77.6	23%	0.225	39%	0.386	C	S	.	.	H	α-helix	trans	-63.2	-36.9	175.7	-79.8	168.6	0	0	0	112.8	P143 Q145 K151 L154 K159 I162 I163	P143-L147 WeakPolarHBondContact O-CB 3.46Å; P143-L147 VanDerWaalsContact O-CG 3.26Å; P143-L147 WeakPolarHBondContact O-CG 3.21Å; P143-L147 PolarHBondContact O-N 2.81Å; Q145-L147 PolarHBondContact O-N 3.35Å; L147-K151 VanDerWaalsContact O-CA 3.27Å; L147-K151 WeakPolarHBondContact O-CA 3.15Å; L147-K151 VanDerWaalsContact O-CB 3.25Å; L147-K151 WeakPolarHBondContact O-CB 3.49Å; L147-K151 PolarHBondContact O-N 3.4Å; L147-L154 HydrophobicContact CD2-CD1 4.01Å; L147-K159 HydrophobicContact CD2-CB 4.06Å; L147-K159 HydrophobicContact CD2-CG 3.82Å; L147-I162 HydrophobicContact CD1-CG2 4.05Å; L147-I162 HydrophobicContact CD2-CG2 3.92Å; L147-I162 HydrophobicContact CG-CG2 3.89Å; L147-I163 HydrophobicContact CD1-CD1 3.71Å
148	K	97.4	Very high	97.3	Very high	173 Å²	173	68.2 Å²	68.2	75%	0.752	35%	0.346	S	S	*	.	H	α-helix	trans	-70.8	-51	175.4	-73.1	173	-177.3	179.4	0	111.1	E144 Q145 A146	E144-K148 VanDerWaalsContact O-CG 3.31Å; E144-K148 WeakPolarHBondContact O-CG 3.45Å; E144-K148 PolarHBondContact O-N 3.12Å; E144-K148 VanDerWaalsContact O-N 3.12Å; Q145-K148 PolarHBondContact O-N 3.39Å; A146-K148 VanDerWaalsContact C-N 3.33Å; A146-K148 PolarHBondContact O-N 3.04Å
149	Q	97.9	Very high	97.6	Very high	117 Å²	117	69.9 Å²	69.9	55%	0.547	35%	0.349	S	S	.	.	H	α-helix	trans	-72.2	-40.2	-173.8	-175.6	175.5	-9.3	0	0	113	Q145 A146	Q145-Q149 WeakPolarHBondContact O-CB 3.25Å; Q145-Q149 PolarHBondContact O-N 3.45Å; A146-Q149 PolarHBondContact O-N 3.04Å
150	Y	97.6	Very high	97.8	Very high	63 Å²	63	69.1 Å²	69.1	25%	0.247	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	21.5	-174.6	-61.7	-77	0	0	0	113.1	L141 A146 H152 H153 L154 V171	L141-Y150 HydrophobicContact CD1-CE2 3.9Å; A146-Y150 WeakPolarHBondContact O-CA 3.31Å; A146-Y150 WeakPolarHBondContact O-CB 3.45Å; A146-Y150 PolarHBondContact O-N 3.23Å; Y150-H152 PolarHBondContact O-N 3.34Å; Y150-H153 PolarHBondContact O-N 3.3Å; Y150-L154 WeakPolarHBondContact O-CG 3.43Å; Y150-L154 PolarHBondContact O-N 3.48Å; Y150-V171 HydrophobicContact CD1-CG2 3.78Å; Y150-V171 HydrophobicContact CD2-CG1 4.31Å; Y150-V171 HydrophobicContact CD2-CG2 3.97Å; Y150-V171 HydrophobicContact CE1-CG2 4.09Å; Y150-V171 HydrophobicContact CE2-CG2 4.27Å; Y150-V171 HydrophobicContact CG-CG2 3.71Å
151	K	95.5	Very high	97.9	Very high	121 Å²	121	68.1 Å²	68.1	53%	0.526	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-40.7	-177.1	-172.9	178.2	176.2	179.8	0	114.7	L147 K159	L147-K151 VanDerWaalsContact O-CA 3.27Å; L147-K151 WeakPolarHBondContact O-CA 3.15Å; L147-K151 VanDerWaalsContact O-CB 3.25Å; L147-K151 WeakPolarHBondContact O-CB 3.49Å; L147-K151 PolarHBondContact O-N 3.4Å; K151-K159 WeakPolarHBondContact O-CE 3.46Å; K151-K159 PolarHBondContact O-NZ 2.73Å
152	H	96.8	Very high	97.9	Very high	173 Å²	173	65.6 Å²	65.6	80%	0.801	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-9.1	-176.2	-61.5	-71	0	0	0	114.1	Y150	Y150-H152 PolarHBondContact O-N 3.34Å
153	H	97.9	Very high	97.9	Very high	87 Å²	87	67.6 Å²	67.6	40%	0.403	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-18	178.8	-58.4	86.5	0	0	0	112.6	Y150 P173 K177	Y150-H153 PolarHBondContact O-N 3.3Å; H153-P173 HydrophobicContact CB-CB 4.24Å; H153-P173 PolarHBondContact CD2-O 2.91Å; H153-K177 WeakPolarHBondContact O-CE 3.49Å
154	L	98.2	Very high	97.9	Very high	11 Å²	11	73.2 Å²	73.2	6%	0.058	36%	0.357	C	S	.	.	S	Bend	trans	-90.6	134.8	-179.5	-61.8	173.5	0	0	0	111.6	L147 Y150 E158 K159 I162 V171	L147-L154 HydrophobicContact CD2-CD1 4.01Å; Y150-L154 WeakPolarHBondContact O-CG 3.43Å; Y150-L154 PolarHBondContact O-N 3.48Å; L154-E158 WeakPolarHBondContact CA-OE2 3.45Å; L154-E158 HydrophobicContact CB-CB 4.26Å; L154-E158 HydrophobicContact CD2-CB 4.15Å; L154-K159 HydrophobicContact CB-CG 4.09Å; L154-K159 WeakPolarHBondContact O-CE 3.4Å; L154-I162 HydrophobicContact CD1-CD1 4.16Å; L154-V171 HydrophobicContact CD2-CB 4.1Å; L154-V171 HydrophobicContact CD2-CG1 4.42Å
155	T	98.4	Very high	97.9	Very high	9 Å²	9	70.6 Å²	70.6	6%	0.055	34%	0.342	C	S	.	.			trans	-68.1	165	170.1	61	0	0	0	0	111.6	Y157 E158 K159 K177	T155-Y157 VanDerWaalsContact C-N 3.28Å; T155-Y157 PolarHBondContact O-N 3.42Å; T155-E158 PolarHBondContact N-OE2 2.96Å; T155-E158 PolarHBondContact O-N 3.11Å; T155-E158 WeakPolarHBondContact OG1-CB 3.46Å; T155-E158 VanDerWaalsContact OG1-CD 3.27Å; T155-E158 VanDerWaalsContact OG1-CG 3.25Å; T155-E158 WeakPolarHBondContact OG1-CG 3.31Å; T155-E158 PolarHBondContact OG1-N 2.87Å; T155-E158 PolarHBondContact OG1-OE2 3.31Å; T155-K159 WeakPolarHBondContact O-CG 3.4Å; T155-K159 PolarHBondContact O-N 3.48Å; T155-K159 VanDerWaalsContact O-N 3.09Å; T155-K177 HydrophobicContact CG2-CB 3.78Å; T155-K177 HydrophobicContact CG2-CD 4.02Å
156	A	97.8	Very high	97.9	Very high	76 Å²	76	70.9 Å²	70.9	63%	0.628	35%	0.353	S	S	*	.	H	α-helix	trans	-59.5	-39.8	175.1	0	0	0	0	0	112.2	K159	A156-K159 PolarHBondContact O-N 3.33Å
157	Y	98.3	Very high	97.9	Very high	36 Å²	36	74.9 Å²	74.9	14%	0.141	37%	0.371	C	S	.	.	H	α-helix	trans	-60.6	-49.5	175.5	-165.5	-79.9	0	0	0	111.5	T155 K159 L160 E161 I182 Y190 R281	T155-Y157 VanDerWaalsContact C-N 3.28Å; T155-Y157 PolarHBondContact O-N 3.42Å; Y157-K159 VanDerWaalsContact C-N 3.27Å; Y157-K159 PolarHBondContact O-N 2.86Å; Y157-L160 PolarHBondContact O-N 3.47Å; Y157-L160 VanDerWaalsContact O-N 3.1Å; Y157-E161 HydrophobicContact CD1-CB 4.11Å; Y157-E161 HydrophobicContact CE1-CB 4.12Å; Y157-E161 HydrophobicContact CE1-CG 4.39Å; Y157-E161 WeakPolarHBondContact O-CB 3.48Å; Y157-E161 PolarHBondContact O-N 2.88Å; Y157-I182 HydrophobicContact CD2-CG1 3.73Å; Y157-I182 HydrophobicContact CE2-CB 4.41Å; Y157-I182 HydrophobicContact CE2-CG1 3.47Å; Y157-I182 VanDerWaalsContact CE2-CG1 3.47Å; Y157-Y190 WeakPolarHBondContact CB-OH 3.38Å; Y157-Y190 AromaticContact CD1-CE2 3.85Å; Y157-Y190 HydrophobicContact CD1-CE2 3.85Å; Y157-Y190 WeakPolarHBondContact CD1-OH 3.22Å; Y157-Y190 AromaticContact CD2-CE2 3.84Å; Y157-Y190 HydrophobicContact CD2-CE2 3.84Å; Y157-Y190 AromaticContact CE1-CE2 3.83Å; Y157-Y190 HydrophobicContact CE1-CE2 3.83Å; Y157-Y190 AromaticContact CE2-CE2 3.8Å; Y157-Y190 HydrophobicContact CE2-CE2 3.8Å; Y157-Y190 AromaticContact CG-CE2 3.86Å; Y157-Y190 HydrophobicContact CG-CE2 3.86Å; Y157-Y190 AromaticContact CZ-CE2 3.8Å; Y157-R281 HydrophobicContact CE1-CG 4.33Å
158	E	98.6	Very high	97.9	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-62.6	-33.4	-179.4	-74.2	164.1	151.6	0	0	112.7	L154 T155 L160 E161 I162 K177 H204 Y207 R281	L154-E158 WeakPolarHBondContact CA-OE2 3.45Å; L154-E158 HydrophobicContact CB-CB 4.26Å; L154-E158 HydrophobicContact CD2-CB 4.15Å; T155-E158 PolarHBondContact N-OE2 2.96Å; T155-E158 PolarHBondContact O-N 3.11Å; T155-E158 WeakPolarHBondContact OG1-CB 3.46Å; T155-E158 VanDerWaalsContact OG1-CD 3.27Å; T155-E158 VanDerWaalsContact OG1-CG 3.25Å; T155-E158 WeakPolarHBondContact OG1-CG 3.31Å; T155-E158 PolarHBondContact OG1-N 2.87Å; T155-E158 PolarHBondContact OG1-OE2 3.31Å; E158-L160 PolarHBondContact O-N 3.5Å; E158-E161 PolarHBondContact O-N 3.01Å; E158-I162 WeakPolarHBondContact O-CB 3.5Å; E158-I162 VanDerWaalsContact O-CG2 3.27Å; E158-I162 WeakPolarHBondContact O-CG2 3.47Å; E158-I162 PolarHBondContact O-N 3.35Å; E158-K177 WeakPolarHBondContact OE1-CE 3.24Å; E158-K177 IonicContact OE1-NZ 3.71Å; E158-K177 PolarHBondContact OE1-NZ 3.15Å; E158-K177 WeakPolarHBondContact OE2-CD 3.33Å; E158-K177 IonicContact OE2-NZ 3.68Å; E158-H204 IonicContact OE1-CD2 2.87Å; E158-H204 PolarHBondContact OE1-CD2 3.08Å; E158-H204 IonicContact OE1-NE2 3.34Å; E158-H204 PolarHBondContact OE1-NE2 3.11Å; E158-Y207 WeakPolarHBondContact CA-OH 3.12Å; E158-Y207 WeakPolarHBondContact CB-OH 3.49Å; E158-Y207 PolarHBondContact O-OH 2.99Å; E158-Y207 VanDerWaalsContact O-OH 3.1Å; E158-R281 IonicContact OE1-NH2 2.69Å
159	K	98.2	Very high	98	Very high	82 Å²	82	66.6 Å²	66.6	36%	0.357	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-27.2	177.4	-72.7	171	-178.4	172.4	0	112.9	L147 K151 L154 T155 A156 Y157	L147-K159 HydrophobicContact CD2-CB 4.06Å; L147-K159 HydrophobicContact CD2-CG 3.82Å; K151-K159 WeakPolarHBondContact O-CE 3.46Å; K151-K159 PolarHBondContact O-NZ 2.73Å; L154-K159 HydrophobicContact CB-CG 4.09Å; L154-K159 WeakPolarHBondContact O-CE 3.4Å; T155-K159 WeakPolarHBondContact O-CG 3.4Å; T155-K159 PolarHBondContact O-N 3.48Å; T155-K159 VanDerWaalsContact O-N 3.09Å; A156-K159 PolarHBondContact O-N 3.33Å; Y157-K159 VanDerWaalsContact C-N 3.27Å; Y157-K159 PolarHBondContact O-N 2.86Å
160	L	97.8	Very high	98	Very high	112 Å²	112	62.3 Å²	62.3	59%	0.586	31%	0.313	S	S	*	.	H	α-helix	trans	-88.8	-44	174.1	-60.8	175.3	0	0	0	111.2	Y157 E158 I162 I182	Y157-L160 PolarHBondContact O-N 3.47Å; Y157-L160 VanDerWaalsContact O-N 3.1Å; E158-L160 PolarHBondContact O-N 3.5Å; L160-I162 PolarHBondContact O-N 2.87Å; L160-I182 HydrophobicContact CD1-CD1 3.67Å
161	E	98.4	Very high	98	Very high	16 Å²	16	59.6 Å²	59.6	8%	0.075	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-40.8	-177.7	-179.5	-179.8	-124.7	0	0	112.6	Y157 E158 I163 N164 Y165 Y207 R281	Y157-E161 HydrophobicContact CD1-CB 4.11Å; Y157-E161 HydrophobicContact CE1-CB 4.12Å; Y157-E161 HydrophobicContact CE1-CG 4.39Å; Y157-E161 WeakPolarHBondContact O-CB 3.48Å; Y157-E161 PolarHBondContact O-N 2.88Å; E158-E161 PolarHBondContact O-N 3.01Å; E161-I163 PolarHBondContact O-N 2.88Å; E161-I163 VanDerWaalsContact O-N 3.13Å; E161-N164 WeakPolarHBondContact O-CB 3.41Å; E161-N164 PolarHBondContact O-N 2.87Å; E161-N164 PolarHBondContact O-ND2 2.82Å; E161-Y165 HydrophobicContact CG-CD2 4.49Å; E161-Y165 HydrophobicContact CG-CE2 3.91Å; E161-Y165 WeakPolarHBondContact O-CD2 3.35Å; E161-Y207 HydrophobicContact CG-CE2 4.11Å; E161-Y207 PolarHBondContact OE2-OH 3.28Å; E161-R281 WeakPolarHBondContact OE1-CG 3.45Å; E161-R281 IonicContact OE1-NE 3.81Å; E161-R281 PolarHBondContact OE1-NE 2.93Å; E161-R281 IonicContact OE2-CZ 3.76Å; E161-R281 IonicContact OE2-NE 2.82Å; E161-R281 PolarHBondContact OE2-NE 2.97Å; E161-R281 VanDerWaalsContact OE2-NE 3.12Å; E161-R281 IonicContact OE2-NH2 3.11Å; E161-R281 PolarHBondContact OE2-NH2 3.02Å
162	I	98.4	Very high	98.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-60.7	-26.5	-171.9	-161.3	167.8	0	0	0	113.6	P143 A146 L147 L154 E158 L160 N164 Y165 I168 Y207	P143-I162 HydrophobicContact CB-CG1 4.45Å; P143-I162 WeakPolarHBondContact CG-O 3.21Å; A146-I162 HydrophobicContact CB-CD1 3.77Å; L147-I162 HydrophobicContact CD1-CG2 4.05Å; L147-I162 HydrophobicContact CD2-CG2 3.92Å; L147-I162 HydrophobicContact CG-CG2 3.89Å; L154-I162 HydrophobicContact CD1-CD1 4.16Å; E158-I162 WeakPolarHBondContact O-CB 3.5Å; E158-I162 VanDerWaalsContact O-CG2 3.27Å; E158-I162 WeakPolarHBondContact O-CG2 3.47Å; E158-I162 PolarHBondContact O-N 3.35Å; L160-I162 PolarHBondContact O-N 2.87Å; I162-N164 PolarHBondContact O-N 3.46Å; I162-Y165 PolarHBondContact O-N 2.81Å; I162-I168 HydrophobicContact CD1-CD1 3.98Å; I162-I168 HydrophobicContact CD1-CG1 4.17Å; I162-I168 HydrophobicContact CG1-CD1 3.48Å; I162-I168 VanDerWaalsContact CG1-CD1 3.48Å; I162-I168 HydrophobicContact CG1-CG1 4.08Å; I162-Y207 HydrophobicContact CB-CE1 3.98Å; I162-Y207 HydrophobicContact CB-CE2 4.08Å; I162-Y207 WeakPolarHBondContact CB-OH 3.45Å; I162-Y207 HydrophobicContact CD1-CD1 3.99Å; I162-Y207 HydrophobicContact CD1-CE1 3.69Å; I162-Y207 HydrophobicContact CG1-CD1 4.03Å; I162-Y207 HydrophobicContact CG1-CD2 4.41Å; I162-Y207 HydrophobicContact CG1-CE1 3.68Å; I162-Y207 HydrophobicContact CG1-CE2 4.11Å; I162-Y207 HydrophobicContact CG1-CG 4.37Å; I162-Y207 PolarHBondContact N-OH 3.2Å
163	I	97.9	Very high	98.2	Very high	95 Å²	95	47.4 Å²	47.4	49%	0.487	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-61.6	-26.8	178.8	-56.9	-57.7	0	0	0	111.6	P143 L147 E161 Y165	P143-I163 HydrophobicContact CB-CD1 4.18Å; L147-I163 HydrophobicContact CD1-CD1 3.71Å; E161-I163 PolarHBondContact O-N 2.88Å; E161-I163 VanDerWaalsContact O-N 3.13Å; I163-Y165 VanDerWaalsContact C-N 3.26Å; I163-Y165 PolarHBondContact O-N 3.46Å
164	N	97.9	Very high	98.1	Very high	126 Å²	126	50 Å²	50	67%	0.674	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-81	-2.6	178.6	-58.1	-55.9	0	0	0	113.5	E161 I162	E161-N164 WeakPolarHBondContact O-CB 3.41Å; E161-N164 PolarHBondContact O-N 2.87Å; E161-N164 PolarHBondContact O-ND2 2.82Å; I162-N164 PolarHBondContact O-N 3.46Å
165	Y	98.3	Very high	98.1	Very high	47 Å²	47	50.1 Å²	50.1	18%	0.184	27%	0.271	C	S	.	.			trans	-117.7	94.2	-176.3	-68.9	-92.5	0	0	0	110.4	P143 E161 I162 I163 E167 I168 A206 Y207 F280	P143-Y165 VanDerWaalsContact CG-O 3.25Å; P143-Y165 WeakPolarHBondContact CG-O 3.36Å; E161-Y165 HydrophobicContact CG-CD2 4.49Å; E161-Y165 HydrophobicContact CG-CE2 3.91Å; E161-Y165 WeakPolarHBondContact O-CD2 3.35Å; I162-Y165 PolarHBondContact O-N 2.81Å; I163-Y165 VanDerWaalsContact C-N 3.26Å; I163-Y165 PolarHBondContact O-N 3.46Å; Y165-E167 PolarHBondContact O-N 3.43Å; Y165-E167 VanDerWaalsContact O-N 3.15Å; Y165-I168 WeakPolarHBondContact O-CD1 3.45Å; Y165-A206 HydrophobicContact CD1-CB 4.35Å; Y165-A206 HydrophobicContact CE1-CB 3.67Å; Y165-Y207 HydrophobicContact CD1-CD2 4.05Å; Y165-Y207 AromaticContact CD2-CD2 3.51Å; Y165-Y207 HydrophobicContact CD2-CD2 3.51Å; Y165-Y207 AromaticContact CD2-CE2 3.51Å; Y165-Y207 HydrophobicContact CD2-CE2 3.51Å; Y165-Y207 HydrophobicContact CE2-CD2 4.08Å; Y165-Y207 AromaticContact CE2-CE2 3.92Å; Y165-Y207 HydrophobicContact CE2-CE2 3.92Å; Y165-Y207 AromaticContact CG-CD2 3.5Å; Y165-Y207 HydrophobicContact CG-CD2 3.5Å; Y165-Y207 HydrophobicContact CG-CE2 4.01Å; Y165-F280 WeakPolarHBondContact OH-CD2 3.45Å
166	P	98.1	Very high	98.1	Very high	101 Å²	101	59 Å²	59	66%	0.656	31%	0.308	S	S	*	.	S	Bend	trans	-65.6	-23	-172.2	26	-34.9	0	0	0	113.9
167	E	98.3	Very high	98.1	Very high	84 Å²	84	56.5 Å²	56.5	39%	0.393	28%	0.283	S	S	.	.			trans	-117.7	108.6	-179.6	-57.2	177.8	82.4	0	0	110.7	P140 Y165 Y169 K230	P140-E167 HydrophobicContact CB-CB 3.83Å; P140-E167 HydrophobicContact CB-CG 4.48Å; P140-E167 HydrophobicContact CG-CB 3.98Å; P140-E167 HydrophobicContact CG-CG 4.08Å; Y165-E167 PolarHBondContact O-N 3.43Å; Y165-E167 VanDerWaalsContact O-N 3.15Å; E167-Y169 HydrophobicContact CB-CD2 4.25Å; E167-Y169 HydrophobicContact CB-CE2 3.51Å; E167-Y169 HydrophobicContact CG-CE2 4.45Å; E167-Y169 PolarHBondContact OE1-OH 2.83Å; E167-K230 IonicContact OE1-NZ 3.26Å; E167-K230 PolarHBondContact OE1-NZ 3.19Å; E167-K230 IonicContact OE2-NZ 3.16Å; E167-K230 PolarHBondContact OE2-NZ 3.38Å; E167-K230 VanDerWaalsContact OE2-NZ 3.16Å
168	I	98.6	Very high	98.1	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.026	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-100.8	113.6	179.3	-52.1	-56.7	0	0	0	109.7	L141 A146 I162 Y165 V171 Y207	L141-I168 HydrophobicContact CB-CB 4.22Å; L141-I168 PolarHBondContact N-O 3.34Å; L141-I168 WeakPolarHBondContact O-CB 3.44Å; L141-I168 PolarHBondContact O-N 3.15Å; A146-I168 HydrophobicContact CB-CB 4.26Å; A146-I168 HydrophobicContact CB-CG1 4.16Å; A146-I168 HydrophobicContact CB-CG2 3.9Å; I162-I168 HydrophobicContact CD1-CD1 3.98Å; I162-I168 HydrophobicContact CD1-CG1 4.17Å; I162-I168 HydrophobicContact CG1-CD1 3.48Å; I162-I168 VanDerWaalsContact CG1-CD1 3.48Å; I162-I168 HydrophobicContact CG1-CG1 4.08Å; Y165-I168 WeakPolarHBondContact O-CD1 3.45Å; I168-V171 HydrophobicContact CG2-CG1 3.63Å; I168-Y207 HydrophobicContact CD1-CD1 4.19Å; I168-Y207 HydrophobicContact CD1-CD2 4.17Å; I168-Y207 HydrophobicContact CD1-CG 3.73Å
169	Y	98.6	Very high	98	Very high	37 Å²	37	66.8 Å²	66.8	15%	0.145	33%	0.328	C	S	.	.	S	Bend	trans	-104.9	-30.8	178.3	-64.2	-90	0	0	0	112.5	V138 P140 E167 Y207 R208 K230	V138-Y169 HydrophobicContact CG1-CD1 3.97Å; V138-Y169 HydrophobicContact CG1-CE1 4.24Å; P140-Y169 HydrophobicContact CB-CD1 4.18Å; P140-Y169 HydrophobicContact CB-CD2 4.34Å; P140-Y169 HydrophobicContact CB-CE1 3.83Å; P140-Y169 HydrophobicContact CB-CE2 3.99Å; P140-Y169 HydrophobicContact CB-CG 4.42Å; P140-Y169 HydrophobicContact CG-CE1 4.28Å; E167-Y169 HydrophobicContact CB-CD2 4.25Å; E167-Y169 HydrophobicContact CB-CE2 3.51Å; E167-Y169 HydrophobicContact CG-CE2 4.45Å; E167-Y169 PolarHBondContact OE1-OH 2.83Å; Y169-Y207 PolarHBondContact N-O 2.78Å; Y169-R208 HydrophobicContact CD2-CB 4.38Å; Y169-R208 HydrophobicContact CD2-CG 4.37Å; Y169-K230 HydrophobicContact CD1-CB 3.81Å; Y169-K230 HydrophobicContact CD1-CG 4.3Å; Y169-K230 HydrophobicContact CD2-CB 4.17Å; Y169-K230 HydrophobicContact CE1-CB 3.67Å; Y169-K230 HydrophobicContact CE1-CD 4.2Å; Y169-K230 HydrophobicContact CE1-CG 3.63Å; Y169-K230 HydrophobicContact CE2-CB 4.05Å; Y169-K230 HydrophobicContact CE2-CD 3.74Å; Y169-K230 HydrophobicContact CE2-CG 4.04Å; Y169-K230 HydrophobicContact CG-CB 4.06Å; Y169-K230 VanDerWaalsContact CZ-CG 3.49Å; Y169-K230 WeakPolarHBondContact OH-CD 3.37Å; Y169-K230 WeakPolarHBondContact OH-CE 3.39Å; Y169-K230 PolarHBondContact OH-NZ 2.97Å
170	F	98.6	Very high	97.9	Very high	27 Å²	27	63.3 Å²	63.3	12%	0.118	32%	0.316	C	S	.	.			trans	-155.4	133.3	-176.4	-177.4	-108.9	0	0	0	111.9	G172 H204 Y207 E210 H229	F170-G172 VanDerWaalsContact CE1-CA 3.41Å; F170-G172 VanDerWaalsContact CE1-N 3.33Å; F170-G172 VanDerWaalsContact CZ-CA 3.43Å; F170-H204 HydrophobicContact CD1-CB 3.62Å; F170-H204 HydrophobicContact CE1-CB 4.06Å; F170-H204 WeakPolarHBondContact O-CB 3.28Å; F170-Y207 PolarHBondContact N-O 2.86Å; F170-Y207 CarbonylContact O-C 3.57Å; F170-Y207 WeakPolarHBondContact O-CA 3.3Å; F170-E210 HydrophobicContact CD1-CB 3.79Å; F170-E210 HydrophobicContact CD1-CG 4.37Å; F170-E210 HydrophobicContact CE1-CB 3.45Å; F170-E210 VanDerWaalsContact CE1-CB 3.45Å; F170-E210 HydrophobicContact CE1-CG 3.55Å; F170-E210 HydrophobicContact CE2-CB 4.43Å; F170-E210 HydrophobicContact CE2-CG 4.33Å; F170-E210 HydrophobicContact CG-CB 4.41Å; F170-E210 HydrophobicContact CZ-CB 3.8Å; F170-E210 VanDerWaalsContact CZ-CD 3.48Å; F170-E210 HydrophobicContact CZ-CG 3.51Å; F170-H229 HydrophobicContact CB-CB 4.12Å; F170-H229 AromaticContact CD2-CD2 3.78Å; F170-H229 AromaticContact CD2-CE1 3.6Å; F170-H229 AromaticContact CD2-NE2 3.36Å; F170-H229 WeakPolarHBondContact CD2-NE2 3.37Å; F170-H229 AromaticContact CE2-NE2 3.74Å; F170-H229 AromaticContact CG-CD2 3.58Å; F170-H229 AromaticContact CG-NE2 3.63Å
171	V	98.5	Very high	97.9	Very high	5 Å²	5	62.6 Å²	62.6	3%	0.03	32%	0.316	C	S	.	.			trans	-113.9	-0	-177.7	-58.6	0	0	0	0	114.2	Y150 L154 I168 P173 K177 H204 Y207	Y150-V171 HydrophobicContact CD1-CG2 3.78Å; Y150-V171 HydrophobicContact CD2-CG1 4.31Å; Y150-V171 HydrophobicContact CD2-CG2 3.97Å; Y150-V171 HydrophobicContact CE1-CG2 4.09Å; Y150-V171 HydrophobicContact CE2-CG2 4.27Å; Y150-V171 HydrophobicContact CG-CG2 3.71Å; L154-V171 HydrophobicContact CD2-CB 4.1Å; L154-V171 HydrophobicContact CD2-CG1 4.42Å; I168-V171 HydrophobicContact CG2-CG1 3.63Å; V171-P173 HydrophobicContact CG2-CB 4.37Å; V171-K177 WeakPolarHBondContact O-CE 3.25Å; V171-K177 PolarHBondContact O-NZ 3.34Å; V171-H204 PolarHBondContact O-CD2 3.4Å; V171-Y207 HydrophobicContact CG1-CD1 4.29Å
172	G	98.2	Very high	97.7	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.34	C	S	.	.			trans	60.6	49.4	-178	0	0	0	0	0	114.7	F170 N174 A175 K177 R202	F170-G172 VanDerWaalsContact CE1-CA 3.41Å; F170-G172 VanDerWaalsContact CE1-N 3.33Å; F170-G172 VanDerWaalsContact CZ-CA 3.43Å; G172-N174 PolarHBondContact O-N 3.02Å; G172-N174 VanDerWaalsContact O-N 3.13Å; G172-A175 WeakPolarHBondContact O-CB 3.2Å; G172-A175 PolarHBondContact O-N 3.07Å; G172-A175 VanDerWaalsContact O-N 3.17Å; G172-K177 WeakPolarHBondContact O-CE 3.26Å; G172-K177 PolarHBondContact O-NZ 3.2Å; G172-R202 WeakPolarHBondContact CA-O 3.36Å
173	P	97.4	Very high	97.5	Very high	38 Å²	38	71.3 Å²	71.3	25%	0.247	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.1	-167.2	26.3	-35.1	0	0	0	114.2	H153 V171	H153-P173 HydrophobicContact CB-CB 4.24Å; H153-P173 PolarHBondContact CD2-O 2.91Å; V171-P173 HydrophobicContact CG2-CB 4.37Å
174	N	96.4	Very high	97.4	Very high	142 Å²	142	67.9 Å²	67.9	76%	0.759	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	7.3	-175.6	-58.7	-24.4	0	0	0	113	G172	G172-N174 PolarHBondContact O-N 3.02Å; G172-N174 VanDerWaalsContact O-N 3.13Å
175	A	97.8	Very high	97.3	Very high	14 Å²	14	67 Å²	67	12%	0.116	37%	0.371	C	S	.	.	S	Bend	trans	-79.6	145.3	-179.7	0	0	0	0	0	111.2	G172 K177 V200 D203	G172-A175 WeakPolarHBondContact O-CB 3.2Å; G172-A175 PolarHBondContact O-N 3.07Å; G172-A175 VanDerWaalsContact O-N 3.17Å; A175-K177 HydrophobicContact CB-CG 4.11Å; A175-K177 PolarHBondContact O-N 3.13Å; A175-V200 HydrophobicContact CB-CG1 4.13Å; A175-D203 HydrophobicContact CB-CB 3.64Å
176	K	98.1	Very high	97.3	Very high	194 Å²	194	68.8 Å²	68.8	84%	0.843	38%	0.384	S	S	*	.			trans	-78.2	72.2	169.4	-65	-176.6	-178.3	-178.9	0	109.4	V200	K176-V200 VanDerWaalsContact O-CG1 3.3Å; K176-V200 WeakPolarHBondContact O-CG1 3.49Å
177	K	98.4	Very high	97.2	Very high	25 Å²	25	65.3 Å²	65.3	11%	0.109	36%	0.359	C	S	.	.			trans	-60.7	147.2	-171.2	-66.2	172.6	177.7	-69.8	0	112.2	H153 T155 E158 V171 G172 A175 D203	H153-K177 WeakPolarHBondContact O-CE 3.49Å; T155-K177 HydrophobicContact CG2-CB 3.78Å; T155-K177 HydrophobicContact CG2-CD 4.02Å; E158-K177 WeakPolarHBondContact OE1-CE 3.24Å; E158-K177 IonicContact OE1-NZ 3.71Å; E158-K177 PolarHBondContact OE1-NZ 3.15Å; E158-K177 WeakPolarHBondContact OE2-CD 3.33Å; E158-K177 IonicContact OE2-NZ 3.68Å; V171-K177 WeakPolarHBondContact O-CE 3.25Å; V171-K177 PolarHBondContact O-NZ 3.34Å; G172-K177 WeakPolarHBondContact O-CE 3.26Å; G172-K177 PolarHBondContact O-NZ 3.2Å; A175-K177 HydrophobicContact CB-CG 4.11Å; A175-K177 PolarHBondContact O-N 3.13Å; K177-D203 IonicContact NZ-OD1 3.49Å; K177-D203 PolarHBondContact NZ-OD1 3.03Å
178	R	97.8	Very high	97.2	Very high	97 Å²	97	61.7 Å²	61.7	37%	0.366	35%	0.345	S	S	.	.			trans	-81.4	133.4	169.1	-64	-174.2	70	113	-4.6	109.6	G180 G189 Y190 I198 V200	R178-G180 PolarHBondContact O-N 3.49Å; R178-G180 VanDerWaalsContact O-N 3.1Å; R178-G189 PolarHBondContact NE-O 3.23Å; R178-G189 PolarHBondContact NH2-O 3.28Å; R178-Y190 HydrophobicContact CB-CD1 4.33Å; R178-Y190 HydrophobicContact CB-CE1 4.14Å; R178-I198 VanDerWaalsContact CZ-CD1 3.43Å; R178-I198 VanDerWaalsContact NH1-CD1 3.29Å; R178-V200 HydrophobicContact CG-CG2 4.03Å
179	H	97.1	Very high	97.2	Very high	155 Å²	155	62.6 Å²	62.6	72%	0.718	36%	0.355	S	S	*	.			trans	-84.9	80.3	178.9	-72.6	-112.7	0	0	0	109.7
180	G	96.1	Very high	97.1	Very high	10 Å²	10	60.9 Å²	60.9	10%	0.103	35%	0.348	C	S	.	.			trans	-67.3	152.5	-178	0	0	0	0	0	113.5	R178 G188	R178-G180 PolarHBondContact O-N 3.49Å; R178-G180 VanDerWaalsContact O-N 3.1Å; G180-G188 CarbonylContact C-O 3.35Å; G180-G188 WeakPolarHBondContact CA-O 3.49Å
181	V	96.6	Very high	97.1	Very high	96 Å²	96	60 Å²	60	58%	0.582	35%	0.345	S	S	*	.			trans	-125.6	120.6	176.7	-177.2	0	0	0	0	109.6	G183 G184 G188	V181-G183 PolarHBondContact O-N 2.95Å; V181-G184 PolarHBondContact O-N 2.79Å; V181-G188 PolarHBondContact N-O 3.22Å; V181-G188 WeakPolarHBondContact O-CA 3.49Å
182	I	94.8	Very high	97	Very high	115 Å²	115	62.2 Å²	62.2	59%	0.59	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	130.3	179.8	-62.4	172	0	0	0	109.7	Y157 L160 G184	Y157-I182 HydrophobicContact CD2-CG1 3.73Å; Y157-I182 HydrophobicContact CE2-CB 4.41Å; Y157-I182 HydrophobicContact CE2-CG1 3.47Å; Y157-I182 VanDerWaalsContact CE2-CG1 3.47Å; L160-I182 HydrophobicContact CD1-CD1 3.67Å; I182-G184 PolarHBondContact O-N 3.21Å
183	G	93.7	Very high	96.9	Very high	85 Å²	85	66.6 Å²	66.6	88%	0.876	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	-1.7	-178.8	0	0	0	0	0	115.1	V181	V181-G183 PolarHBondContact O-N 2.95Å
184	G	95.9	Very high	96.8	Very high	22 Å²	22	70.7 Å²	70.7	23%	0.227	41%	0.413	C	S	.	.			trans	-69	166.1	176.1	0	0	0	0	0	113.4	V181 I182 G188	V181-G184 PolarHBondContact O-N 2.79Å; I182-G184 PolarHBondContact O-N 3.21Å; G184-G188 PolarHBondContact O-N 3.03Å
185	P	96.9	Very high	96.8	Very high	107 Å²	107	64.5 Å²	64.5	70%	0.695	38%	0.382	S	S	*	.	H	α-helix	trans	-60.8	159.9	176.8	28.8	-35.9	0	0	0	111.6	N187 G188 G189	P185-N187 VanDerWaalsContact C-N 3.32Å; P185-N187 PolarHBondContact O-N 3.46Å; P185-G188 CarbonylContact O-C 3.51Å; P185-G188 PolarHBondContact O-N 3.14Å; P185-G188 VanDerWaalsContact O-N 3.1Å; P185-G189 PolarHBondContact O-N 3.19Å
186	N	96.8	Very high	96.7	Very high	86 Å²	86	63.8 Å²	63.8	46%	0.46	38%	0.377	S	S	.	.	H	α-helix	trans	51.3	49.4	179	-59.5	87.7	0	0	0	112.7	G188 G189 Y190 D191 D192	N186-G188 VanDerWaalsContact C-N 3.33Å; N186-G188 PolarHBondContact O-N 3.14Å; N186-G189 WeakPolarHBondContact O-CA 3.38Å; N186-G189 PolarHBondContact O-N 3.11Å; N186-Y190 PolarHBondContact O-N 3.33Å; N186-D191 PolarHBondContact O-N 3.3Å; N186-D191 VanDerWaalsContact O-N 3.08Å; N186-D192 PolarHBondContact ND2-O 2.8Å
187	N	97.6	Very high	96.7	Very high	27 Å²	27	55 Å²	55	14%	0.144	34%	0.338	C	S	.	.	H	α-helix	trans	55.8	46.8	-177.4	-172.3	28.2	0	0	0	112.3	P185 G189 Y190 D191 R281 N282	P185-N187 VanDerWaalsContact C-N 3.32Å; P185-N187 PolarHBondContact O-N 3.46Å; N187-G189 PolarHBondContact O-N 3Å; N187-Y190 WeakPolarHBondContact O-CD2 3.21Å; N187-Y190 PolarHBondContact O-N 2.6Å; N187-D191 HydrophobicContact CB-CB 3.95Å; N187-D191 WeakPolarHBondContact CB-OD1 3.38Å; N187-D191 WeakPolarHBondContact CB-OD2 3.34Å; N187-D191 VanDerWaalsContact ND2-CG 3.35Å; N187-D191 PolarHBondContact ND2-OD1 2.88Å; N187-D191 PolarHBondContact ND2-OD2 2.94Å; N187-R281 PolarHBondContact ND2-O 3.06Å; N187-N282 PolarHBondContact OD1-ND2 2.87Å
188	G	97.2	Very high	96.7	Very high	8 Å²	8	56 Å²	56	8%	0.082	34%	0.344	C	S	.	.	H	α-helix	trans	66.9	22	-175.4	0	0	0	0	0	114.5	G180 V181 G184 P185 N186	G180-G188 CarbonylContact C-O 3.35Å; G180-G188 WeakPolarHBondContact CA-O 3.49Å; V181-G188 PolarHBondContact N-O 3.22Å; V181-G188 WeakPolarHBondContact O-CA 3.49Å; G184-G188 PolarHBondContact O-N 3.03Å; P185-G188 CarbonylContact O-C 3.51Å; P185-G188 PolarHBondContact O-N 3.14Å; P185-G188 VanDerWaalsContact O-N 3.1Å; N186-G188 VanDerWaalsContact C-N 3.33Å; N186-G188 PolarHBondContact O-N 3.14Å
189	G	97.8	Very high	96.6	Very high	24 Å²	24	52.9 Å²	52.9	25%	0.247	33%	0.334	C	S	.	.	H	α-helix	trans	86.1	9.8	-178.2	0	0	0	0	0	115	R178 P185 N186 N187	R178-G189 PolarHBondContact NE-O 3.23Å; R178-G189 PolarHBondContact NH2-O 3.28Å; P185-G189 PolarHBondContact O-N 3.19Å; N186-G189 WeakPolarHBondContact O-CA 3.38Å; N186-G189 PolarHBondContact O-N 3.11Å; N187-G189 PolarHBondContact O-N 3Å
190	Y	98.4	Very high	96.6	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-21.7	174.7	-74.4	-62.7	0	0	0	113.8	Y157 R178 N186 N187 Y197 I198	Y157-Y190 WeakPolarHBondContact CB-OH 3.38Å; Y157-Y190 AromaticContact CD1-CE2 3.85Å; Y157-Y190 HydrophobicContact CD1-CE2 3.85Å; Y157-Y190 WeakPolarHBondContact CD1-OH 3.22Å; Y157-Y190 AromaticContact CD2-CE2 3.84Å; Y157-Y190 HydrophobicContact CD2-CE2 3.84Å; Y157-Y190 AromaticContact CE1-CE2 3.83Å; Y157-Y190 HydrophobicContact CE1-CE2 3.83Å; Y157-Y190 AromaticContact CE2-CE2 3.8Å; Y157-Y190 HydrophobicContact CE2-CE2 3.8Å; Y157-Y190 AromaticContact CG-CE2 3.86Å; Y157-Y190 HydrophobicContact CG-CE2 3.86Å; Y157-Y190 AromaticContact CZ-CE2 3.8Å; R178-Y190 HydrophobicContact CB-CD1 4.33Å; R178-Y190 HydrophobicContact CB-CE1 4.14Å; N186-Y190 PolarHBondContact O-N 3.33Å; N187-Y190 WeakPolarHBondContact O-CD2 3.21Å; N187-Y190 PolarHBondContact O-N 2.6Å; Y190-Y197 HydrophobicContact CD1-CE2 4.04Å; Y190-Y197 HydrophobicContact CG-CE2 4.17Å; Y190-I198 WeakPolarHBondContact O-CB 3.33Å; Y190-I198 WeakPolarHBondContact O-CG1 3.48Å; Y190-I198 PolarHBondContact O-N 3.18Å
191	D	98.3	Very high	96.7	Very high	9 Å²	9	49.9 Å²	49.9	5%	0.048	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-106.1	154.7	-175.4	-61.2	8.1	0	0	0	110.8	N186 N187 A196 I198 N242 H283	N186-D191 PolarHBondContact O-N 3.3Å; N186-D191 VanDerWaalsContact O-N 3.08Å; N187-D191 HydrophobicContact CB-CB 3.95Å; N187-D191 WeakPolarHBondContact CB-OD1 3.38Å; N187-D191 WeakPolarHBondContact CB-OD2 3.34Å; N187-D191 VanDerWaalsContact ND2-CG 3.35Å; N187-D191 PolarHBondContact ND2-OD1 2.88Å; N187-D191 PolarHBondContact ND2-OD2 2.94Å; D191-A196 CarbonylContact C-O 3.59Å; D191-A196 WeakPolarHBondContact CA-O 3.36Å; D191-I198 VanDerWaalsContact C-CD1 3.48Å; D191-I198 WeakPolarHBondContact O-CD1 3.35Å; D191-N242 WeakPolarHBondContact OD2-CB 3.28Å; D191-N242 PolarHBondContact OD2-ND2 3.48Å; D191-H283 IonicContact OD1-CD2 3.77Å; D191-H283 IonicContact OD1-CE1 3.12Å; D191-H283 IonicContact OD1-NE2 2.72Å; D191-H283 PolarHBondContact OD1-NE2 2.97Å; D191-H283 IonicContact OD2-CE1 3.26Å; D191-H283 IonicContact OD2-NE2 2.71Å; D191-H283 PolarHBondContact OD2-NE2 2.91Å
192	D	96.6	Very high	96.8	Very high	52 Å²	52	51.4 Å²	51.4	28%	0.278	32%	0.321	S	S	.	.			trans	-76.8	-176.2	165.1	65.2	22.9	0	0	0	111.8	N186 D194 G195 A196 I198	N186-D192 PolarHBondContact ND2-O 2.8Å; D192-D194 PolarHBondContact O-N 3.03Å; D192-D194 WeakPolarHBondContact OD1-CA 3.09Å; D192-D194 PolarHBondContact OD1-N 2.88Å; D192-G195 PolarHBondContact O-N 2.83Å; D192-G195 PolarHBondContact OD1-N 3.27Å; D192-A196 PolarHBondContact N-O 2.66Å; D192-A196 PolarHBondContact OD1-N 3.47Å; D192-A196 WeakPolarHBondContact OD2-CB 3.41Å; D192-I198 HydrophobicContact CB-CD1 4.31Å; D192-I198 HydrophobicContact CB-CG1 4.17Å
193	A	96.1	Very high	97	Very high	92 Å²	92	46.1 Å²	46.1	76%	0.76	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.7	-179.8	0	0	0	0	0	112.9	G195	A193-G195 VanDerWaalsContact C-N 3.34Å
194	D	94.2	Very high	97.2	Very high	123 Å²	123	42 Å²	42	66%	0.658	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	1.6	-178.7	-58.5	-37.1	0	0	0	111.6	D192 R241	D192-D194 PolarHBondContact O-N 3.03Å; D192-D194 WeakPolarHBondContact OD1-CA 3.09Å; D192-D194 PolarHBondContact OD1-N 2.88Å; D194-R241 VanDerWaalsContact O-CD 3.24Å; D194-R241 WeakPolarHBondContact O-CD 3.29Å; D194-R241 PolarHBondContact O-NH1 2.94Å
195	G	96.1	Very high	97.3	Very high	12 Å²	12	41.1 Å²	41.1	12%	0.124	24%	0.242	C	C	.	.	S	Bend	trans	79.6	17.3	-179.7	0	0	0	0	0	114.8	D192 A193 R241 N242 H283	D192-G195 PolarHBondContact O-N 2.83Å; D192-G195 PolarHBondContact OD1-N 3.27Å; A193-G195 VanDerWaalsContact C-N 3.34Å; G195-R241 VanDerWaalsContact O-CG 3.32Å; G195-R241 WeakPolarHBondContact O-CG 3.22Å; G195-N242 PolarHBondContact O-N 2.78Å; G195-H283 PolarHBondContact O-CE1 2.92Å
196	A	97.1	Very high	97.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.214	C	C	.	.			trans	-86.4	142.9	169.5	0	0	0	0	0	110.7	D191 D192 I198	D191-A196 CarbonylContact C-O 3.59Å; D191-A196 WeakPolarHBondContact CA-O 3.36Å; D192-A196 PolarHBondContact N-O 2.66Å; D192-A196 PolarHBondContact OD1-N 3.47Å; D192-A196 WeakPolarHBondContact OD2-CB 3.41Å; A196-I198 PolarHBondContact O-N 2.82Å
197	Y	97.9	Very high	97.5	Very high	9 Å²	9	32.5 Å²	32.5	4%	0.035	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-65.9	134.1	178.8	-171.3	-105.8	0	0	0	111.3	Y190 H199 L205 M239 R281 H283	Y190-Y197 HydrophobicContact CD1-CE2 4.04Å; Y190-Y197 HydrophobicContact CG-CE2 4.17Å; Y197-H199 PolarHBondContact O-CD2 3.48Å; Y197-H199 PolarHBondContact O-N 3.32Å; Y197-L205 HydrophobicContact CE1-CD2 3.95Å; Y197-M239 HydrophobicContact CD1-CE 3.46Å; Y197-M239 VanDerWaalsContact CD1-CE 3.46Å; Y197-M239 HydrophobicContact CD1-SD 3.52Å; Y197-M239 VanDerWaalsContact CD1-SD 3.52Å; Y197-M239 HydrophobicContact CD2-CE 3.29Å; Y197-M239 HydrophobicContact CD2-SD 4.41Å; Y197-M239 HydrophobicContact CE1-CE 3.91Å; Y197-M239 HydrophobicContact CE1-SD 4.17Å; Y197-M239 HydrophobicContact CE2-CE 3.74Å; Y197-M239 HydrophobicContact CG-CE 3.11Å; Y197-M239 HydrophobicContact CG-SD 3.66Å; Y197-R281 HydrophobicContact CE2-CB 4.38Å; Y197-R281 PolarHBondContact OH-NH1 3.25Å; Y197-H283 AromaticContact CD2-CD2 3.75Å; Y197-H283 AromaticContact CD2-NE2 3.69Å; Y197-H283 PolarHBondContact N-CE1 3.5Å
198	I	97.6	Very high	97.6	Very high	46 Å²	46	32.5 Å²	32.5	24%	0.236	19%	0.19	C	C	.	.			trans	-85.2	98	178.4	-56.9	171.2	0	0	0	109.1	R178 Y190 D191 D192 A196 V200	R178-I198 VanDerWaalsContact CZ-CD1 3.43Å; R178-I198 VanDerWaalsContact NH1-CD1 3.29Å; Y190-I198 WeakPolarHBondContact O-CB 3.33Å; Y190-I198 WeakPolarHBondContact O-CG1 3.48Å; Y190-I198 PolarHBondContact O-N 3.18Å; D191-I198 VanDerWaalsContact C-CD1 3.48Å; D191-I198 WeakPolarHBondContact O-CD1 3.35Å; D192-I198 HydrophobicContact CB-CD1 4.31Å; D192-I198 HydrophobicContact CB-CG1 4.17Å; A196-I198 PolarHBondContact O-N 2.82Å; I198-V200 PolarHBondContact O-N 2.99Å
199	H	95.4	Very high	97.6	Very high	31 Å²	31	32.3 Å²	32.3	14%	0.144	19%	0.187	C	C	.	.			trans	-64	132	179.9	-72.5	-90.3	0	0	0	112.8	Y197 I214 Q222	Y197-H199 PolarHBondContact O-CD2 3.48Å; Y197-H199 PolarHBondContact O-N 3.32Å; H199-I214 HydrophobicContact CB-CD1 3.83Å; H199-I214 VanDerWaalsContact CG-CD1 3.41Å; H199-Q222 PolarHBondContact CD2-OE1 3.06Å
200	V	98	Very high	97.7	Very high	17 Å²	17	31.9 Å²	31.9	10%	0.103	18%	0.178	C	C	.	.			trans	-110.3	115.5	170.6	179.9	0	0	0	0	108	A175 K176 R178 I198 R202 D203	A175-V200 HydrophobicContact CB-CG1 4.13Å; K176-V200 VanDerWaalsContact O-CG1 3.3Å; K176-V200 WeakPolarHBondContact O-CG1 3.49Å; R178-V200 HydrophobicContact CG-CG2 4.03Å; I198-V200 PolarHBondContact O-N 2.99Å; V200-R202 PolarHBondContact O-N 3.47Å; V200-D203 HydrophobicContact CB-CB 3.81Å; V200-D203 HydrophobicContact CG1-CB 4Å; V200-D203 VanDerWaalsContact O-CB 3.28Å; V200-D203 WeakPolarHBondContact O-CB 3.4Å; V200-D203 PolarHBondContact O-N 2.76Å
201	P	97.6	Very high	97.7	Very high	85 Å²	85	32.1 Å²	32.1	55%	0.552	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	141.1	175.6	-25.2	34.4	0	0	0	111.5	D203	P201-D203 PolarHBondContact O-N 2.86Å
202	R	98.3	Very high	97.7	Very high	128 Å²	128	34 Å²	34	48%	0.483	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	1.2	-177.7	-44.7	-68.7	-77.2	155.5	8.2	115	G172 V200 E210 V211	G172-R202 WeakPolarHBondContact CA-O 3.36Å; V200-R202 PolarHBondContact O-N 3.47Å; R202-E210 IonicContact CZ-OE1 3.82Å; R202-E210 IonicContact NE-OE1 3.06Å; R202-E210 PolarHBondContact NE-OE1 3.23Å; R202-E210 IonicContact NH1-OE1 3.93Å; R202-E210 PolarHBondContact NH1-OE1 3.43Å; R202-E210 IonicContact NH2-OE1 3.38Å; R202-E210 PolarHBondContact NH2-OE1 2.93Å; R202-V211 WeakPolarHBondContact CA-O 3.27Å; R202-V211 PolarHBondContact N-O 2.9Å
203	D	98.7	Very high	97.7	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	21%	0.208	C	C	.	.			trans	-79.1	167.3	174.2	-155.8	6.9	0	0	0	111.8	A175 K177 V200 P201 V211	A175-D203 HydrophobicContact CB-CB 3.64Å; K177-D203 IonicContact NZ-OD1 3.49Å; K177-D203 PolarHBondContact NZ-OD1 3.03Å; V200-D203 HydrophobicContact CB-CB 3.81Å; V200-D203 HydrophobicContact CG1-CB 4Å; V200-D203 VanDerWaalsContact O-CB 3.28Å; V200-D203 WeakPolarHBondContact O-CB 3.4Å; V200-D203 PolarHBondContact O-N 2.76Å; P201-D203 PolarHBondContact O-N 2.86Å; D203-V211 PolarHBondContact O-N 3.05Å
204	H	98.7	Very high	97.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	154.9	179.6	80.7	83	0	0	0	112.6	E158 F170 V171 Y207 Y209 F280	E158-H204 IonicContact OE1-CD2 2.87Å; E158-H204 PolarHBondContact OE1-CD2 3.08Å; E158-H204 IonicContact OE1-NE2 3.34Å; E158-H204 PolarHBondContact OE1-NE2 3.11Å; F170-H204 HydrophobicContact CD1-CB 3.62Å; F170-H204 HydrophobicContact CE1-CB 4.06Å; F170-H204 WeakPolarHBondContact O-CB 3.28Å; V171-H204 PolarHBondContact O-CD2 3.4Å; H204-Y207 AromaticContact CE1-CD1 3.46Å; H204-Y207 VanDerWaalsContact CE1-CD1 3.46Å; H204-Y207 WeakPolarHBondContact CE1-CD1 3.28Å; H204-Y207 AromaticContact CE1-CD2 3.89Å; H204-Y207 AromaticContact CE1-CE1 3.3Å; H204-Y207 WeakPolarHBondContact CE1-CE1 3.46Å; H204-Y207 AromaticContact CE1-CE2 3.73Å; H204-Y207 AromaticContact CE1-CG 3.77Å; H204-Y207 AromaticContact CE1-CZ 3.44Å; H204-Y207 VanDerWaalsContact CE1-CZ 3.44Å; H204-Y207 AromaticContact ND1-CD1 3.8Å; H204-Y207 AromaticContact ND1-CG 3.9Å; H204-Y207 PolarHBondContact ND1-N 3.36Å; H204-Y207 AromaticContact NE2-CD1 3.7Å; H204-Y207 AromaticContact NE2-CE1 3.3Å; H204-Y207 VanDerWaalsContact NE2-CE1 3.3Å; H204-Y207 WeakPolarHBondContact NE2-CE1 3.19Å; H204-Y207 AromaticContact NE2-CZ 3.74Å; H204-Y209 CarbonylContact C-O 3.46Å; H204-Y209 VanDerWaalsContact CA-O 3.28Å; H204-Y209 WeakPolarHBondContact CA-O 3.25Å; H204-F280 AromaticContact CE1-CZ 3.83Å
205	L	98.7	Very high	97.7	Very high	2 Å²	2	35 Å²	35	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.2	161.4	-58.4	171.5	0	0	0	108	Y197 Y207 R208 Y209 V211 L237 M239 F280	Y197-L205 HydrophobicContact CE1-CD2 3.95Å; L205-Y207 PolarHBondContact O-N 2.93Å; L205-Y207 VanDerWaalsContact O-N 3.11Å; L205-R208 PolarHBondContact O-N 3.24Å; L205-R208 VanDerWaalsContact O-N 3.08Å; L205-Y209 PolarHBondContact N-O 3.05Å; L205-Y209 PolarHBondContact O-N 2.83Å; L205-V211 HydrophobicContact CD1-CG2 3.61Å; L205-V211 HydrophobicContact CD2-CG2 4.41Å; L205-V211 HydrophobicContact CG-CG2 3.72Å; L205-L237 HydrophobicContact CB-CD1 4.23Å; L205-L237 HydrophobicContact CD1-CD1 3.29Å; L205-L237 HydrophobicContact CG-CD1 4.39Å; L205-M239 HydrophobicContact CD1-SD 4.34Å; L205-M239 HydrophobicContact CD2-CE 4.32Å; L205-M239 HydrophobicContact CD2-SD 4.13Å; L205-F280 HydrophobicContact CB-CD1 4.38Å; L205-F280 HydrophobicContact CB-CE1 4.46Å; L205-F280 HydrophobicContact CD2-CD1 3.65Å; L205-F280 HydrophobicContact CD2-CE1 3.49Å; L205-F280 VanDerWaalsContact CD2-CE1 3.49Å; L205-F280 HydrophobicContact CD2-CZ 4.49Å
206	A	98.6	Very high	97.5	Very high	12 Å²	12	35.8 Å²	35.8	10%	0.099	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	37.7	-178.1	0	0	0	0	0	113.9	Y165 R208 F278 F280	Y165-A206 HydrophobicContact CD1-CB 4.35Å; Y165-A206 HydrophobicContact CE1-CB 3.67Å; A206-R208 WeakPolarHBondContact O-CB 3.49Å; A206-R208 PolarHBondContact O-N 3.44Å; A206-F278 HydrophobicContact CB-CD2 3.82Å; A206-F278 HydrophobicContact CB-CE2 3.46Å; A206-F278 VanDerWaalsContact CB-CE2 3.46Å; A206-F278 HydrophobicContact CB-CZ 4.11Å; A206-F280 HydrophobicContact CB-CD2 4.18Å; A206-F280 VanDerWaalsContact N-CD2 3.27Å; A206-F280 VanDerWaalsContact N-CE2 3.31Å
207	Y	98.8	Very high	97.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	28.4	-176.5	-58.8	-85.2	0	0	0	115.7	E158 E161 I162 Y165 I168 Y169 F170 V171 H204 L205	E158-Y207 WeakPolarHBondContact CA-OH 3.12Å; E158-Y207 WeakPolarHBondContact CB-OH 3.49Å; E158-Y207 PolarHBondContact O-OH 2.99Å; E158-Y207 VanDerWaalsContact O-OH 3.1Å; E161-Y207 HydrophobicContact CG-CE2 4.11Å; E161-Y207 PolarHBondContact OE2-OH 3.28Å; I162-Y207 HydrophobicContact CB-CE1 3.98Å; I162-Y207 HydrophobicContact CB-CE2 4.08Å; I162-Y207 WeakPolarHBondContact CB-OH 3.45Å; I162-Y207 HydrophobicContact CD1-CD1 3.99Å; I162-Y207 HydrophobicContact CD1-CE1 3.69Å; I162-Y207 HydrophobicContact CG1-CD1 4.03Å; I162-Y207 HydrophobicContact CG1-CD2 4.41Å; I162-Y207 HydrophobicContact CG1-CE1 3.68Å; I162-Y207 HydrophobicContact CG1-CE2 4.11Å; I162-Y207 HydrophobicContact CG1-CG 4.37Å; I162-Y207 PolarHBondContact N-OH 3.2Å; Y165-Y207 HydrophobicContact CD1-CD2 4.05Å; Y165-Y207 AromaticContact CD2-CD2 3.51Å; Y165-Y207 HydrophobicContact CD2-CD2 3.51Å; Y165-Y207 AromaticContact CD2-CE2 3.51Å; Y165-Y207 HydrophobicContact CD2-CE2 3.51Å; Y165-Y207 HydrophobicContact CE2-CD2 4.08Å; Y165-Y207 AromaticContact CE2-CE2 3.92Å; Y165-Y207 HydrophobicContact CE2-CE2 3.92Å; Y165-Y207 AromaticContact CG-CD2 3.5Å; Y165-Y207 HydrophobicContact CG-CD2 3.5Å; Y165-Y207 HydrophobicContact CG-CE2 4.01Å; I168-Y207 HydrophobicContact CD1-CD1 4.19Å; I168-Y207 HydrophobicContact CD1-CD2 4.17Å; I168-Y207 HydrophobicContact CD1-CG 3.73Å; Y169-Y207 PolarHBondContact N-O 2.78Å; F170-Y207 PolarHBondContact N-O 2.86Å; F170-Y207 CarbonylContact O-C 3.57Å; F170-Y207 WeakPolarHBondContact O-CA 3.3Å; V171-Y207 HydrophobicContact CG1-CD1 4.29Å; H204-Y207 AromaticContact CE1-CD1 3.46Å; H204-Y207 VanDerWaalsContact CE1-CD1 3.46Å; H204-Y207 WeakPolarHBondContact CE1-CD1 3.28Å; H204-Y207 AromaticContact CE1-CD2 3.89Å; H204-Y207 AromaticContact CE1-CE1 3.3Å; H204-Y207 WeakPolarHBondContact CE1-CE1 3.46Å; H204-Y207 AromaticContact CE1-CE2 3.73Å; H204-Y207 AromaticContact CE1-CG 3.77Å; H204-Y207 AromaticContact CE1-CZ 3.44Å; H204-Y207 VanDerWaalsContact CE1-CZ 3.44Å; H204-Y207 AromaticContact ND1-CD1 3.8Å; H204-Y207 AromaticContact ND1-CG 3.9Å; H204-Y207 PolarHBondContact ND1-N 3.36Å; H204-Y207 AromaticContact NE2-CD1 3.7Å; H204-Y207 AromaticContact NE2-CE1 3.3Å; H204-Y207 VanDerWaalsContact NE2-CE1 3.3Å; H204-Y207 WeakPolarHBondContact NE2-CE1 3.19Å; H204-Y207 AromaticContact NE2-CZ 3.74Å; L205-Y207 PolarHBondContact O-N 2.93Å; L205-Y207 VanDerWaalsContact O-N 3.11Å
208	R	98.6	Very high	96.7	Very high	28 Å²	28	44.1 Å²	44.1	11%	0.106	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.4	-46.5	-174.1	175.5	176.8	170.9	-173.1	-5.2	113.3	Y169 L205 A206 D228 H229 K230 E276	Y169-R208 HydrophobicContact CD2-CB 4.38Å; Y169-R208 HydrophobicContact CD2-CG 4.37Å; L205-R208 PolarHBondContact O-N 3.24Å; L205-R208 VanDerWaalsContact O-N 3.08Å; A206-R208 WeakPolarHBondContact O-CB 3.49Å; A206-R208 PolarHBondContact O-N 3.44Å; R208-D228 WeakPolarHBondContact CG-OD1 3.27Å; R208-D228 IonicContact CZ-OD1 3.77Å; R208-D228 IonicContact CZ-OD2 3.68Å; R208-D228 IonicContact NE-OD1 2.68Å; R208-D228 PolarHBondContact NE-OD1 3.44Å; R208-D228 IonicContact NE-OD2 3.22Å; R208-D228 PolarHBondContact NE-OD2 3.38Å; R208-D228 IonicContact NH2-OD1 3.7Å; R208-D228 IonicContact NH2-OD2 2.75Å; R208-D228 PolarHBondContact NH2-OD2 3.27Å; R208-H229 WeakPolarHBondContact O-CB 3.19Å; R208-H229 PolarHBondContact O-N 3.4Å; R208-H229 VanDerWaalsContact O-N 3.11Å; R208-K230 HydrophobicContact CG-CB 4.15Å; R208-E276 IonicContact CZ-OE2 3.39Å; R208-E276 IonicContact NH1-OE2 3.72Å; R208-E276 PolarHBondContact NH1-OE2 3.26Å; R208-E276 IonicContact NH2-OE2 3.52Å
209	Y	98.8	Very high	96.1	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	129.6	-173.6	-55.3	-80.7	0	0	0	110.4	H204 L205 V226 Y227 D228 V235 L237 F278 A287	H204-Y209 CarbonylContact C-O 3.46Å; H204-Y209 VanDerWaalsContact CA-O 3.28Å; H204-Y209 WeakPolarHBondContact CA-O 3.25Å; L205-Y209 PolarHBondContact N-O 3.05Å; L205-Y209 PolarHBondContact O-N 2.83Å; Y209-V226 HydrophobicContact CD1-CG2 3.94Å; Y209-V226 HydrophobicContact CG-CG2 4.29Å; Y209-Y227 WeakPolarHBondContact CA-O 3.46Å; Y209-D228 HydrophobicContact CD1-CB 3.89Å; Y209-D228 HydrophobicContact CE1-CB 3.84Å; Y209-V235 HydrophobicContact CD1-CG2 4.07Å; Y209-V235 HydrophobicContact CE1-CG2 4.11Å; Y209-L237 HydrophobicContact CD2-CD1 4.46Å; Y209-L237 HydrophobicContact CG-CD1 4.39Å; Y209-F278 HydrophobicContact CD2-CE1 4.16Å; Y209-F278 AromaticContact CD2-CZ 3.77Å; Y209-F278 HydrophobicContact CD2-CZ 3.77Å; Y209-F278 HydrophobicContact CE2-CD1 4.46Å; Y209-F278 AromaticContact CE2-CE1 3.43Å; Y209-F278 HydrophobicContact CE2-CE1 3.43Å; Y209-F278 VanDerWaalsContact CE2-CE1 3.43Å; Y209-F278 AromaticContact CE2-CZ 3.51Å; Y209-F278 HydrophobicContact CE2-CZ 3.51Å; Y209-A287 HydrophobicContact CE1-CB 4.43Å
210	E	98.8	Very high	95.6	Very high	15 Å²	15	43.2 Å²	43.2	7%	0.07	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.5	174.3	176.2	176.1	-169.2	0	0	110.5	F170 R202 L212 V226 Y227 H229	F170-E210 HydrophobicContact CD1-CB 3.79Å; F170-E210 HydrophobicContact CD1-CG 4.37Å; F170-E210 HydrophobicContact CE1-CB 3.45Å; F170-E210 VanDerWaalsContact CE1-CB 3.45Å; F170-E210 HydrophobicContact CE1-CG 3.55Å; F170-E210 HydrophobicContact CE2-CB 4.43Å; F170-E210 HydrophobicContact CE2-CG 4.33Å; F170-E210 HydrophobicContact CG-CB 4.41Å; F170-E210 HydrophobicContact CZ-CB 3.8Å; F170-E210 VanDerWaalsContact CZ-CD 3.48Å; F170-E210 HydrophobicContact CZ-CG 3.51Å; R202-E210 IonicContact CZ-OE1 3.82Å; R202-E210 IonicContact NE-OE1 3.06Å; R202-E210 PolarHBondContact NE-OE1 3.23Å; R202-E210 IonicContact NH1-OE1 3.93Å; R202-E210 PolarHBondContact NH1-OE1 3.43Å; R202-E210 IonicContact NH2-OE1 3.38Å; R202-E210 PolarHBondContact NH2-OE1 2.93Å; E210-L212 HydrophobicContact CG-CD2 4.1Å; E210-L212 PolarHBondContact O-N 2.94Å; E210-V226 CarbonylContact O-C 3.59Å; E210-V226 WeakPolarHBondContact O-CA 3.42Å; E210-V226 WeakPolarHBondContact O-CB 3.3Å; E210-Y227 PolarHBondContact N-O 3.31Å; E210-Y227 PolarHBondContact O-N 3.4Å; E210-H229 WeakPolarHBondContact CB-NE2 3.21Å; E210-H229 IonicContact OE2-CE1 3.53Å; E210-H229 IonicContact OE2-NE2 3.56Å; E210-H229 PolarHBondContact OE2-NE2 3.24Å
211	V	98.5	Very high	95.3	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.03	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126.4	179.5	-177.8	0	0	0	0	110.3	R202 D203 L205 A224 V226	R202-V211 WeakPolarHBondContact CA-O 3.27Å; R202-V211 PolarHBondContact N-O 2.9Å; D203-V211 PolarHBondContact O-N 3.05Å; L205-V211 HydrophobicContact CD1-CG2 3.61Å; L205-V211 HydrophobicContact CD2-CG2 4.41Å; L205-V211 HydrophobicContact CG-CG2 3.72Å; V211-A224 HydrophobicContact CG1-CB 4.43Å; V211-V226 HydrophobicContact CG2-CG1 4.49Å
212	L	98.1	Very high	95.2	Very high	50 Å²	50	39.9 Å²	39.9	26%	0.262	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-63	178.9	-55.7	172.7	0	0	0	111.6	E210 R225 Y234	E210-L212 HydrophobicContact CG-CD2 4.1Å; E210-L212 PolarHBondContact O-N 2.94Å; L212-R225 WeakPolarHBondContact CB-O 3.49Å; L212-R225 HydrophobicContact CD1-CG 4.48Å; L212-R225 PolarHBondContact N-O 3.39Å; L212-R225 VanDerWaalsContact N-O 3.08Å; L212-Y234 HydrophobicContact CD1-CD1 3.72Å; L212-Y234 HydrophobicContact CD1-CE1 3.44Å; L212-Y234 VanDerWaalsContact CD1-CE1 3.44Å
213	K	96.8	Very high	95.1	Very high	150 Å²	150	35.7 Å²	35.7	65%	0.652	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-148.9	138.8	-172.9	-175.1	175.4	178.1	178.2	0	110.8	I215 A224 R225	K213-I215 PolarHBondContact O-N 3.4Å; K213-A224 CarbonylContact O-C 3.56Å; K213-A224 WeakPolarHBondContact O-CA 3.37Å; K213-R225 PolarHBondContact N-O 2.92Å; K213-R225 PolarHBondContact O-N 3.28Å
214	I	96.5	Very high	95.1	Very high	46 Å²	46	35.5 Å²	35.5	24%	0.236	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	126.4	169.1	-51.5	-53.4	0	0	0	109.1	H199 G216 K217 A224	H199-I214 HydrophobicContact CB-CD1 3.83Å; H199-I214 VanDerWaalsContact CG-CD1 3.41Å; I214-G216 WeakPolarHBondContact CG2-O 3.34Å; I214-K217 HydrophobicContact CG2-CD 4.32Å; I214-K217 HydrophobicContact CG2-CG 3.68Å; I214-A224 HydrophobicContact CD1-CB 3.96Å
215	I	94.7	Very high	95.1	Very high	90 Å²	90	40.2 Å²	40.2	46%	0.462	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	-11.6	-179.9	58.5	174.7	0	0	0	112.7	K213 V223 R225 A236 L290	K213-I215 PolarHBondContact O-N 3.4Å; I215-V223 HydrophobicContact CD1-CG1 4.01Å; I215-V223 HydrophobicContact CG1-CB 4.24Å; I215-V223 HydrophobicContact CG1-CG1 3.89Å; I215-V223 WeakPolarHBondContact CG1-O 3.44Å; I215-V223 PolarHBondContact N-O 2.95Å; I215-R225 HydrophobicContact CD1-CB 4.32Å; I215-R225 HydrophobicContact CG2-CB 3.8Å; I215-A236 HydrophobicContact CD1-CB 4.07Å; I215-L290 HydrophobicContact CD1-CD1 3.97Å
216	G	92.3	Very high	95.1	Very high	29 Å²	29	40.1 Å²	40.1	30%	0.299	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	149.6	171.8	0	0	0	0	0	112.2	I214 Q222 V223	I214-G216 WeakPolarHBondContact CG2-O 3.34Å; G216-Q222 WeakPolarHBondContact O-CA 3.4Å; G216-V223 PolarHBondContact N-O 3.27Å; G216-V223 VanDerWaalsContact N-O 3.12Å; G216-V223 PolarHBondContact O-N 3.1Å
217	K	90.9	Very high	95.1	Very high	155 Å²	155	41.9 Å²	41.9	67%	0.674	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.5	173.2	-62.6	-171.7	178.4	-176.1	0	109.1	I214 Q222	I214-K217 HydrophobicContact CG2-CD 4.32Å; I214-K217 HydrophobicContact CG2-CG 3.68Å; K217-Q222 HydrophobicContact CG-CB 4.49Å; K217-Q222 HydrophobicContact CG-CG 4.06Å
218	G	86.4	Confident	95.1	Very high	29 Å²	29	42 Å²	42	30%	0.299	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	-173.1	176.6	0	0	0	0	0	112.3	F220 G221	G218-F220 PolarHBondContact O-N 3.37Å; G218-G221 PolarHBondContact N-O 3.04Å; G218-G221 PolarHBondContact O-N 3.31Å; G218-G221 VanDerWaalsContact O-O 3.11Å
219	S	84.9	Confident	95.1	Very high	32 Å²	32	41.9 Å²	41.9	22%	0.224	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-39.7	178.5	58.7	0	0	0	0	112	M36 G221 R241 F246	M36-S219 PolarHBondContact SD-OG 3.35Å; S219-G221 VanDerWaalsContact C-N 3.26Å; S219-G221 PolarHBondContact O-N 3.26Å; S219-R241 PolarHBondContact O-NE 2.9Å; S219-F246 WeakPolarHBondContact O-CZ 3.26Å
220	F	85.6	Confident	95	Very high	26 Å²	26	44.9 Å²	44.9	11%	0.114	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-20.6	-179.9	-65	-90.2	0	0	0	114.8	M36 G218 V240 R241 F246 S358	M36-F220 HydrophobicContact SD-CD2 4.39Å; M36-F220 HydrophobicContact SD-CE2 4.48Å; G218-F220 PolarHBondContact O-N 3.37Å; F220-V240 WeakPolarHBondContact O-CA 3.3Å; F220-R241 PolarHBondContact O-N 3.34Å; F220-F246 HydrophobicContact CB-CD1 4.32Å; F220-F246 HydrophobicContact CB-CE1 4.28Å; F220-F246 AromaticContact CD1-CD1 3.53Å; F220-F246 HydrophobicContact CD1-CD1 3.53Å; F220-F246 AromaticContact CD1-CE1 3.56Å; F220-F246 HydrophobicContact CD1-CE1 3.56Å; F220-F246 HydrophobicContact CE1-CD1 4.1Å; F220-F246 AromaticContact CE1-CE1 3.94Å; F220-F246 HydrophobicContact CE1-CE1 3.94Å; F220-F246 HydrophobicContact CG-CD1 4.13Å; F220-F246 AromaticContact CG-CE1 3.89Å; F220-F246 HydrophobicContact CG-CE1 3.89Å; F220-S358 WeakPolarHBondContact CZ-OG 3.3Å
221	G	91.1	Very high	95	Very high	7 Å²	7	48.7 Å²	48.7	7%	0.072	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.8	-145.7	-174.8	0	0	0	0	0	112.2	G218 S219	G218-G221 PolarHBondContact N-O 3.04Å; G218-G221 PolarHBondContact O-N 3.31Å; G218-G221 VanDerWaalsContact O-O 3.11Å; S219-G221 VanDerWaalsContact C-N 3.26Å; S219-G221 PolarHBondContact O-N 3.26Å
222	Q	94.9	Very high	94.9	Very high	26 Å²	26	55.1 Å²	55.1	12%	0.121	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.2	-173.8	-53.5	-168.8	13.1	0	0	111.1	H199 G216 K217 M239	H199-Q222 PolarHBondContact CD2-OE1 3.06Å; G216-Q222 WeakPolarHBondContact O-CA 3.4Å; K217-Q222 HydrophobicContact CG-CB 4.49Å; K217-Q222 HydrophobicContact CG-CG 4.06Å; Q222-M239 PolarHBondContact N-O 2.9Å; Q222-M239 VanDerWaalsContact N-O 3.12Å; Q222-M239 PolarHBondContact O-N 3.38Å
223	V	97.7	Very high	94.9	Very high	39 Å²	39	56.7 Å²	56.7	24%	0.236	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.8	174.2	-173	0	0	0	0	108.5	I215 G216 A236 L237 K238	I215-V223 HydrophobicContact CD1-CG1 4.01Å; I215-V223 HydrophobicContact CG1-CB 4.24Å; I215-V223 HydrophobicContact CG1-CG1 3.89Å; I215-V223 WeakPolarHBondContact CG1-O 3.44Å; I215-V223 PolarHBondContact N-O 2.95Å; G216-V223 PolarHBondContact N-O 3.27Å; G216-V223 VanDerWaalsContact N-O 3.12Å; G216-V223 PolarHBondContact O-N 3.1Å; V223-A236 HydrophobicContact CG1-CB 4.12Å; V223-L237 CarbonylContact C-O 3.52Å; V223-L237 WeakPolarHBondContact CA-O 3.47Å; V223-K238 HydrophobicContact CG2-CB 4.05Å; V223-K238 HydrophobicContact CG2-CG 4.02Å
224	A	98.1	Very high	95	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.9	178.2	0	0	0	0	0	110.9	V211 K213 I214 V226 L237	V211-A224 HydrophobicContact CG1-CB 4.43Å; K213-A224 CarbonylContact O-C 3.56Å; K213-A224 WeakPolarHBondContact O-CA 3.37Å; I214-A224 HydrophobicContact CD1-CB 3.96Å; A224-V226 HydrophobicContact CB-CG1 3.86Å; A224-V226 PolarHBondContact O-N 3.1Å; A224-L237 PolarHBondContact N-O 3.46Å; A224-L237 PolarHBondContact O-N 2.9Å
225	R	98.4	Very high	95.1	Very high	99 Å²	99	52.8 Å²	52.8	37%	0.374	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.7	157.1	179.4	177	174	177.3	-2.2	107.2	L212 K213 I215 L290	L212-R225 WeakPolarHBondContact CB-O 3.49Å; L212-R225 HydrophobicContact CD1-CG 4.48Å; L212-R225 PolarHBondContact N-O 3.39Å; L212-R225 VanDerWaalsContact N-O 3.08Å; K213-R225 PolarHBondContact N-O 2.92Å; K213-R225 PolarHBondContact O-N 3.28Å; I215-R225 HydrophobicContact CD1-CB 4.32Å; I215-R225 HydrophobicContact CG2-CB 3.8Å; R225-L290 HydrophobicContact CG-CD2 4.09Å
226	V	98.8	Very high	95.3	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	161.6	179.1	-52.1	0	0	0	0	110.2	Y209 E210 V211 A224 Y234 V235 L237	Y209-V226 HydrophobicContact CD1-CG2 3.94Å; Y209-V226 HydrophobicContact CG-CG2 4.29Å; E210-V226 CarbonylContact O-C 3.59Å; E210-V226 WeakPolarHBondContact O-CA 3.42Å; E210-V226 WeakPolarHBondContact O-CB 3.3Å; V211-V226 HydrophobicContact CG2-CG1 4.49Å; A224-V226 HydrophobicContact CB-CG1 3.86Å; A224-V226 PolarHBondContact O-N 3.1Å; V226-Y234 WeakPolarHBondContact O-CA 3.33Å; V226-V235 HydrophobicContact CG2-CG2 3.3Å; V226-V235 PolarHBondContact N-O 3.44Å; V226-V235 PolarHBondContact O-N 3.14Å; V226-L237 HydrophobicContact CG1-CB 3.91Å; V226-L237 HydrophobicContact CG1-CD1 4.25Å; V226-L237 HydrophobicContact CG2-CB 3.81Å; V226-L237 HydrophobicContact CG2-CD1 4.4Å
227	Y	98.7	Very high	95.6	Very high	50 Å²	50	47.7 Å²	47.7	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123	170.5	-172	-103.4	0	0	0	109.9	Y209 E210 H229 R232 Y234	Y209-Y227 WeakPolarHBondContact CA-O 3.46Å; E210-Y227 PolarHBondContact N-O 3.31Å; E210-Y227 PolarHBondContact O-N 3.4Å; Y227-H229 AromaticContact CD1-CD2 3.78Å; Y227-H229 AromaticContact CD1-CE1 3.89Å; Y227-H229 AromaticContact CD1-NE2 3.67Å; Y227-H229 PolarHBondContact O-N 2.81Å; Y227-R232 WeakPolarHBondContact OH-CA 3.49Å; Y227-R232 WeakPolarHBondContact OH-CD 3.49Å; Y227-Y234 AromaticContact CD2-CD1 3.77Å; Y227-Y234 HydrophobicContact CD2-CD1 3.77Å; Y227-Y234 HydrophobicContact CD2-CD2 4.39Å; Y227-Y234 AromaticContact CD2-CE1 3.63Å; Y227-Y234 HydrophobicContact CD2-CE1 3.63Å; Y227-Y234 HydrophobicContact CD2-CE2 4.28Å; Y227-Y234 HydrophobicContact CD2-CG 4.15Å; Y227-Y234 AromaticContact CD2-CZ 3.9Å; Y227-Y234 HydrophobicContact CE2-CE1 4.5Å; Y227-Y234 HydrophobicContact CE2-CE2 4.45Å; Y227-Y234 HydrophobicContact CG-CD1 4.5Å; Y227-Y234 HydrophobicContact CG-CE1 4.33Å
228	D	98.7	Very high	95.9	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.011	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	108.8	175.6	-178.1	-7.5	0	0	0	109.6	R208 Y209 K230 L231 R232 Q233 V235	R208-D228 WeakPolarHBondContact CG-OD1 3.27Å; R208-D228 IonicContact CZ-OD1 3.77Å; R208-D228 IonicContact CZ-OD2 3.68Å; R208-D228 IonicContact NE-OD1 2.68Å; R208-D228 PolarHBondContact NE-OD1 3.44Å; R208-D228 IonicContact NE-OD2 3.22Å; R208-D228 PolarHBondContact NE-OD2 3.38Å; R208-D228 IonicContact NH2-OD1 3.7Å; R208-D228 IonicContact NH2-OD2 2.75Å; R208-D228 PolarHBondContact NH2-OD2 3.27Å; Y209-D228 HydrophobicContact CD1-CB 3.89Å; Y209-D228 HydrophobicContact CE1-CB 3.84Å; D228-K230 VanDerWaalsContact C-N 3.28Å; D228-K230 PolarHBondContact O-N 3.27Å; D228-K230 VanDerWaalsContact OD1-CB 3.31Å; D228-K230 WeakPolarHBondContact OD1-CB 3.35Å; D228-K230 PolarHBondContact OD1-N 2.87Å; D228-L231 PolarHBondContact OD1-N 2.88Å; D228-L231 WeakPolarHBondContact OD2-CB 3.47Å; D228-L231 WeakPolarHBondContact OD2-CG 3.47Å; D228-R232 WeakPolarHBondContact O-CA 3.4Å; D228-R232 PolarHBondContact O-N 2.89Å; D228-Q233 HydrophobicContact CB-CG 4.48Å; D228-Q233 PolarHBondContact N-O 3.27Å; D228-Q233 PolarHBondContact O-N 3.14Å; D228-V235 HydrophobicContact CB-CG2 4.5Å
229	H	98.4	Very high	96.5	Very high	25 Å²	25	40 Å²	40	12%	0.116	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.9	-179.4	-77.5	-94.6	0	0	0	113.8	F170 R208 E210 Y227 R232	F170-H229 HydrophobicContact CB-CB 4.12Å; F170-H229 AromaticContact CD2-CD2 3.78Å; F170-H229 AromaticContact CD2-CE1 3.6Å; F170-H229 AromaticContact CD2-NE2 3.36Å; F170-H229 WeakPolarHBondContact CD2-NE2 3.37Å; F170-H229 AromaticContact CE2-NE2 3.74Å; F170-H229 AromaticContact CG-CD2 3.58Å; F170-H229 AromaticContact CG-NE2 3.63Å; R208-H229 WeakPolarHBondContact O-CB 3.19Å; R208-H229 PolarHBondContact O-N 3.4Å; R208-H229 VanDerWaalsContact O-N 3.11Å; E210-H229 WeakPolarHBondContact CB-NE2 3.21Å; E210-H229 IonicContact OE2-CE1 3.53Å; E210-H229 IonicContact OE2-NE2 3.56Å; E210-H229 PolarHBondContact OE2-NE2 3.24Å; Y227-H229 AromaticContact CD1-CD2 3.78Å; Y227-H229 AromaticContact CD1-CE1 3.89Å; Y227-H229 AromaticContact CD1-NE2 3.67Å; Y227-H229 PolarHBondContact O-N 2.81Å; H229-R232 PolarHBondContact O-NE 3.06Å
230	K	97.6	Very high	97.1	Very high	67 Å²	67	38.6 Å²	38.6	29%	0.291	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-51.1	174.6	-179.5	170.6	-171	157	0	110.9	E167 Y169 R208 D228	E167-K230 IonicContact OE1-NZ 3.26Å; E167-K230 PolarHBondContact OE1-NZ 3.19Å; E167-K230 IonicContact OE2-NZ 3.16Å; E167-K230 PolarHBondContact OE2-NZ 3.38Å; E167-K230 VanDerWaalsContact OE2-NZ 3.16Å; Y169-K230 HydrophobicContact CD1-CB 3.81Å; Y169-K230 HydrophobicContact CD1-CG 4.3Å; Y169-K230 HydrophobicContact CD2-CB 4.17Å; Y169-K230 HydrophobicContact CE1-CB 3.67Å; Y169-K230 HydrophobicContact CE1-CD 4.2Å; Y169-K230 HydrophobicContact CE1-CG 3.63Å; Y169-K230 HydrophobicContact CE2-CB 4.05Å; Y169-K230 HydrophobicContact CE2-CD 3.74Å; Y169-K230 HydrophobicContact CE2-CG 4.04Å; Y169-K230 HydrophobicContact CG-CB 4.06Å; Y169-K230 VanDerWaalsContact CZ-CG 3.49Å; Y169-K230 WeakPolarHBondContact OH-CD 3.37Å; Y169-K230 WeakPolarHBondContact OH-CE 3.39Å; Y169-K230 PolarHBondContact OH-NZ 2.97Å; R208-K230 HydrophobicContact CG-CB 4.15Å; D228-K230 VanDerWaalsContact C-N 3.28Å; D228-K230 PolarHBondContact O-N 3.27Å; D228-K230 VanDerWaalsContact OD1-CB 3.31Å; D228-K230 WeakPolarHBondContact OD1-CB 3.35Å; D228-K230 PolarHBondContact OD1-N 2.87Å
231	L	97.1	Very high	97.7	Very high	95 Å²	95	39 Å²	39	50%	0.497	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-4.8	-175.7	-60.7	-179.3	0	0	0	114.1	D228 Q233	D228-L231 PolarHBondContact OD1-N 2.88Å; D228-L231 WeakPolarHBondContact OD2-CB 3.47Å; D228-L231 WeakPolarHBondContact OD2-CG 3.47Å; L231-Q233 HydrophobicContact CB-CG 3.93Å; L231-Q233 PolarHBondContact O-N 3.45Å
232	R	97.6	Very high	98	Very high	141 Å²	141	41.2 Å²	41.2	53%	0.532	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	47.2	178.8	-59.8	-66.6	-179.1	150.1	0.9	113.1	V138 Y227 D228 H229	V138-R232 HydrophobicContact CG2-CG 3.93Å; Y227-R232 WeakPolarHBondContact OH-CA 3.49Å; Y227-R232 WeakPolarHBondContact OH-CD 3.49Å; D228-R232 WeakPolarHBondContact O-CA 3.4Å; D228-R232 PolarHBondContact O-N 2.89Å; H229-R232 PolarHBondContact O-NE 3.06Å
233	Q	97.8	Very high	98	Very high	82 Å²	82	44 Å²	44	38%	0.383	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	155.9	-179.6	61.9	-179.8	-4.2	0	0	111.9	D228 L231 V235	D228-Q233 HydrophobicContact CB-CG 4.48Å; D228-Q233 PolarHBondContact N-O 3.27Å; D228-Q233 PolarHBondContact O-N 3.14Å; L231-Q233 HydrophobicContact CB-CG 3.93Å; L231-Q233 PolarHBondContact O-N 3.45Å; Q233-V235 HydrophobicContact CG-CG1 4.1Å
234	Y	98.5	Very high	97.8	Very high	114 Å²	114	50.6 Å²	50.6	45%	0.447	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	136.8	171.2	-63.6	-78.1	0	0	0	110.5	L212 V226 Y227	L212-Y234 HydrophobicContact CD1-CD1 3.72Å; L212-Y234 HydrophobicContact CD1-CE1 3.44Å; L212-Y234 VanDerWaalsContact CD1-CE1 3.44Å; V226-Y234 WeakPolarHBondContact O-CA 3.33Å; Y227-Y234 AromaticContact CD2-CD1 3.77Å; Y227-Y234 HydrophobicContact CD2-CD1 3.77Å; Y227-Y234 HydrophobicContact CD2-CD2 4.39Å; Y227-Y234 AromaticContact CD2-CE1 3.63Å; Y227-Y234 HydrophobicContact CD2-CE1 3.63Å; Y227-Y234 HydrophobicContact CD2-CE2 4.28Å; Y227-Y234 HydrophobicContact CD2-CG 4.15Å; Y227-Y234 AromaticContact CD2-CZ 3.9Å; Y227-Y234 HydrophobicContact CE2-CE1 4.5Å; Y227-Y234 HydrophobicContact CE2-CE2 4.45Å; Y227-Y234 HydrophobicContact CG-CD1 4.5Å; Y227-Y234 HydrophobicContact CG-CE1 4.33Å
235	V	98.7	Very high	97.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	160.2	178.2	-58.7	0	0	0	0	110.2	Y209 V226 D228 Q233 L275 F288	Y209-V235 HydrophobicContact CD1-CG2 4.07Å; Y209-V235 HydrophobicContact CE1-CG2 4.11Å; V226-V235 HydrophobicContact CG2-CG2 3.3Å; V226-V235 PolarHBondContact N-O 3.44Å; V226-V235 PolarHBondContact O-N 3.14Å; D228-V235 HydrophobicContact CB-CG2 4.5Å; Q233-V235 HydrophobicContact CG-CG1 4.1Å; V235-L275 HydrophobicContact CB-CD1 4.38Å; V235-L275 HydrophobicContact CG1-CD1 3.64Å; V235-F288 WeakPolarHBondContact CB-O 3.25Å
236	A	98.6	Very high	97.3	Very high	11 Å²	11	50.8 Å²	50.8	9%	0.091	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.5	167	0	0	0	0	0	108.5	I215 V223 A287 F288 L290	I215-A236 HydrophobicContact CD1-CB 4.07Å; V223-A236 HydrophobicContact CG1-CB 4.12Å; A236-A287 CarbonylContact O-C 3.39Å; A236-A287 WeakPolarHBondContact O-CA 3.49Å; A236-F288 HydrophobicContact CB-CB 4.39Å; A236-F288 PolarHBondContact N-O 2.84Å; A236-F288 PolarHBondContact O-N 3.46Å; A236-L290 HydrophobicContact CB-CD1 3.94Å
237	L	98.7	Very high	97.2	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	112.2	179.2	-157.9	-162.2	0	0	0	109.2	L205 Y209 V223 A224 V226 F278 C285 M286	L205-L237 HydrophobicContact CB-CD1 4.23Å; L205-L237 HydrophobicContact CD1-CD1 3.29Å; L205-L237 HydrophobicContact CG-CD1 4.39Å; Y209-L237 HydrophobicContact CD2-CD1 4.46Å; Y209-L237 HydrophobicContact CG-CD1 4.39Å; V223-L237 CarbonylContact C-O 3.52Å; V223-L237 WeakPolarHBondContact CA-O 3.47Å; A224-L237 PolarHBondContact N-O 3.46Å; A224-L237 PolarHBondContact O-N 2.9Å; V226-L237 HydrophobicContact CG1-CB 3.91Å; V226-L237 HydrophobicContact CG1-CD1 4.25Å; V226-L237 HydrophobicContact CG2-CB 3.81Å; V226-L237 HydrophobicContact CG2-CD1 4.4Å; L237-F278 HydrophobicContact CD1-CZ 4.4Å; L237-C285 HydrophobicContact CD2-CB 3.9Å; L237-M286 WeakPolarHBondContact CA-O 3.42Å
238	K	98.4	Very high	97	Very high	17 Å²	17	59.9 Å²	59.9	7%	0.074	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122.3	172.3	-173.8	177.3	-172.4	-177.7	0	109.2	V223 E253 C285 M286 F288 D355	V223-K238 HydrophobicContact CG2-CB 4.05Å; V223-K238 HydrophobicContact CG2-CG 4.02Å; K238-E253 VanDerWaalsContact NZ-CD 3.25Å; K238-E253 IonicContact NZ-OE1 3.48Å; K238-E253 PolarHBondContact NZ-OE1 3.4Å; K238-E253 IonicContact NZ-OE2 3.04Å; K238-E253 PolarHBondContact NZ-OE2 3.08Å; K238-C285 CarbonylContact O-C 3.57Å; K238-C285 WeakPolarHBondContact O-CA 3.47Å; K238-M286 HydrophobicContact CB-CB 4.47Å; K238-M286 HydrophobicContact CD-CE 3.88Å; K238-M286 HydrophobicContact CG-CE 4.36Å; K238-M286 PolarHBondContact N-O 3.1Å; K238-M286 PolarHBondContact O-N 3.37Å; K238-F288 HydrophobicContact CB-CD2 4.41Å; K238-F288 HydrophobicContact CB-CE2 3.8Å; K238-F288 HydrophobicContact CD-CE2 4.28Å; K238-D355 IonicContact NZ-OD1 3.61Å; K238-D355 PolarHBondContact NZ-OD1 3.41Å
239	M	98.3	Very high	96.8	Very high	5 Å²	5	60.6 Å²	60.6	3%	0.025	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	110.7	175.6	-162.5	159.4	177.8	0	0	108.4	Y197 L205 Q222 F280 H283	Y197-M239 HydrophobicContact CD1-CE 3.46Å; Y197-M239 VanDerWaalsContact CD1-CE 3.46Å; Y197-M239 HydrophobicContact CD1-SD 3.52Å; Y197-M239 VanDerWaalsContact CD1-SD 3.52Å; Y197-M239 HydrophobicContact CD2-CE 3.29Å; Y197-M239 HydrophobicContact CD2-SD 4.41Å; Y197-M239 HydrophobicContact CE1-CE 3.91Å; Y197-M239 HydrophobicContact CE1-SD 4.17Å; Y197-M239 HydrophobicContact CE2-CE 3.74Å; Y197-M239 HydrophobicContact CG-CE 3.11Å; Y197-M239 HydrophobicContact CG-SD 3.66Å; L205-M239 HydrophobicContact CD1-SD 4.34Å; L205-M239 HydrophobicContact CD2-CE 4.32Å; L205-M239 HydrophobicContact CD2-SD 4.13Å; Q222-M239 PolarHBondContact N-O 2.9Å; Q222-M239 VanDerWaalsContact N-O 3.12Å; Q222-M239 PolarHBondContact O-N 3.38Å; M239-F280 HydrophobicContact CE-CD1 4.18Å; M239-H283 HydrophobicContact CE-CB 3.67Å; M239-H283 HydrophobicContact CG-CB 3.77Å
240	V	98.1	Very high	96.7	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.024	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	138.2	-172.6	179.8	0	0	0	0	109.7	F220 F246 A250 H283 V284 M286	F220-V240 WeakPolarHBondContact O-CA 3.3Å; V240-F246 HydrophobicContact CG1-CB 3.67Å; V240-A250 HydrophobicContact CB-CB 4.46Å; V240-A250 HydrophobicContact CG1-CB 4.16Å; V240-A250 HydrophobicContact CG2-CB 3.86Å; V240-H283 PolarHBondContact O-ND1 3.38Å; V240-V284 HydrophobicContact CB-CB 4.21Å; V240-V284 WeakPolarHBondContact CB-O 3.15Å; V240-V284 HydrophobicContact CG2-CB 4.28Å; V240-V284 HydrophobicContact CG2-CG1 4.48Å; V240-V284 WeakPolarHBondContact CG2-O 3.4Å; V240-V284 PolarHBondContact N-O 3.24Å; V240-M286 HydrophobicContact CG2-CE 3.49Å; V240-M286 VanDerWaalsContact CG2-CE 3.49Å
241	R	97.3	Very high	96.7	Very high	35 Å²	35	59 Å²	59	13%	0.132	27%	0.266	C	S	.	.			trans	-52.5	139.1	175.6	-172.6	178.7	-65.4	-78.1	0.9	111.4	D194 G195 S219 F220 E243 F246	D194-R241 VanDerWaalsContact O-CD 3.24Å; D194-R241 WeakPolarHBondContact O-CD 3.29Å; D194-R241 PolarHBondContact O-NH1 2.94Å; G195-R241 VanDerWaalsContact O-CG 3.32Å; G195-R241 WeakPolarHBondContact O-CG 3.22Å; S219-R241 PolarHBondContact O-NE 2.9Å; F220-R241 PolarHBondContact O-N 3.34Å; R241-E243 HydrophobicContact CG-CB 4.42Å; R241-E243 PolarHBondContact O-N 2.99Å; R241-F246 HydrophobicContact CB-CD2 3.95Å; R241-F246 HydrophobicContact CB-CG 4.38Å; R241-F246 HydrophobicContact CG-CD2 4.29Å
242	N	97.3	Very high	96.6	Very high	53 Å²	53	56 Å²	56	28%	0.283	25%	0.249	S	C	.	.	S	Bend	trans	-77.5	68.8	-179.5	-173.1	12.2	0	0	0	111.3	D191 G195 H247 N282	D191-N242 WeakPolarHBondContact OD2-CB 3.28Å; D191-N242 PolarHBondContact OD2-ND2 3.48Å; G195-N242 PolarHBondContact O-N 2.78Å; N242-H247 PolarHBondContact OD1-NE2 3.06Å; N242-N282 PolarHBondContact OD1-O 2.82Å
243	E	95.4	Very high	96.6	Very high	85 Å²	85	49.4 Å²	49.4	40%	0.397	23%	0.225	S	C	.	.	S	Bend	trans	-140.4	136.8	179.6	-163.2	-155	130.3	0	0	109.9	R241 R245 F246 H247	R241-E243 HydrophobicContact CG-CB 4.42Å; R241-E243 PolarHBondContact O-N 2.99Å; E243-R245 PolarHBondContact O-N 2.87Å; E243-R245 WeakPolarHBondContact OE1-CB 3.45Å; E243-F246 HydrophobicContact CB-CD2 3.91Å; E243-F246 PolarHBondContact O-N 3.08Å; E243-F246 VanDerWaalsContact OE2-CD2 3.26Å; E243-F246 WeakPolarHBondContact OE2-CD2 3.48Å; E243-F246 WeakPolarHBondContact OE2-CE2 3.21Å; E243-H247 PolarHBondContact O-CD2 2.63Å; E243-H247 VanDerWaalsContact O-CD2 3.27Å; E243-H247 PolarHBondContact O-N 3.47Å
244	K	93.6	Very high	96.6	Very high	176 Å²	176	46.8 Å²	46.8	77%	0.765	21%	0.213	S	C	*	.	H	α-helix	trans	-53	-36.9	-173.5	-70.4	-176.8	179.5	177.4	0	113.5	R248	K244-R248 WeakPolarHBondContact O-CG 3.16Å; K244-R248 PolarHBondContact O-N 2.9Å
245	R	92.4	Very high	96.6	Very high	85 Å²	85	45.3 Å²	45.3	32%	0.321	21%	0.206	S	C	.	.	H	α-helix	trans	-64.4	-47.2	177.8	-177.5	-175.5	173.8	-176.4	-1.4	111.5	E243 R248 Q249	E243-R245 PolarHBondContact O-N 2.87Å; E243-R245 WeakPolarHBondContact OE1-CB 3.45Å; R245-R248 PolarHBondContact O-N 3.47Å; R245-Q249 PolarHBondContact O-N 2.87Å
246	F	94.6	Very high	96.6	Very high	18 Å²	18	45.3 Å²	45.3	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-70.4	-34.6	-179.5	-70.6	-63.8	0	0	0	112.3	S219 F220 V240 R241 E243 R248 Q249 A250	S219-F246 WeakPolarHBondContact O-CZ 3.26Å; F220-F246 HydrophobicContact CB-CD1 4.32Å; F220-F246 HydrophobicContact CB-CE1 4.28Å; F220-F246 AromaticContact CD1-CD1 3.53Å; F220-F246 HydrophobicContact CD1-CD1 3.53Å; F220-F246 AromaticContact CD1-CE1 3.56Å; F220-F246 HydrophobicContact CD1-CE1 3.56Å; F220-F246 HydrophobicContact CE1-CD1 4.1Å; F220-F246 AromaticContact CE1-CE1 3.94Å; F220-F246 HydrophobicContact CE1-CE1 3.94Å; F220-F246 HydrophobicContact CG-CD1 4.13Å; F220-F246 AromaticContact CG-CE1 3.89Å; F220-F246 HydrophobicContact CG-CE1 3.89Å; V240-F246 HydrophobicContact CG1-CB 3.67Å; R241-F246 HydrophobicContact CB-CD2 3.95Å; R241-F246 HydrophobicContact CB-CG 4.38Å; R241-F246 HydrophobicContact CG-CD2 4.29Å; E243-F246 HydrophobicContact CB-CD2 3.91Å; E243-F246 PolarHBondContact O-N 3.08Å; E243-F246 VanDerWaalsContact OE2-CD2 3.26Å; E243-F246 WeakPolarHBondContact OE2-CD2 3.48Å; E243-F246 WeakPolarHBondContact OE2-CE2 3.21Å; F246-R248 PolarHBondContact O-N 3.3Å; F246-Q249 PolarHBondContact O-N 3.22Å; F246-A250 WeakPolarHBondContact O-CB 3.34Å; F246-A250 PolarHBondContact O-N 3.07Å
247	H	95.7	Very high	96.6	Very high	52 Å²	52	45 Å²	45	24%	0.241	20%	0.203	C	C	.	.	H	α-helix	trans	-57.4	-44.2	170.8	-84.4	-83.4	0	0	0	112.7	N242 E243 A250 A251 N282 V284	N242-H247 PolarHBondContact OD1-NE2 3.06Å; E243-H247 PolarHBondContact O-CD2 2.63Å; E243-H247 VanDerWaalsContact O-CD2 3.27Å; E243-H247 PolarHBondContact O-N 3.47Å; H247-A250 PolarHBondContact O-N 3.35Å; H247-A251 PolarHBondContact O-N 3.48Å; H247-N282 PolarHBondContact CE1-O 3.43Å; H247-N282 PolarHBondContact NE2-O 3.49Å; H247-V284 VanDerWaalsContact ND1-CG2 3.32Å; H247-V284 WeakPolarHBondContact ND1-CG2 3.4Å
248	R	94.2	Very high	96.6	Very high	189 Å²	189	49 Å²	49	71%	0.713	22%	0.222	S	C	*	.	H	α-helix	trans	-64.4	-42.1	176.4	-70	175.9	-175.2	173.4	0.8	112.4	K244 R245 F246 A251 E252	K244-R248 WeakPolarHBondContact O-CG 3.16Å; K244-R248 PolarHBondContact O-N 2.9Å; R245-R248 PolarHBondContact O-N 3.47Å; F246-R248 PolarHBondContact O-N 3.3Å; R248-A251 PolarHBondContact O-N 3.24Å; R248-E252 PolarHBondContact O-N 3.01Å
249	Q	93.8	Very high	96.6	Very high	17 Å²	17	51 Å²	51	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-40	176.5	-76	-174.3	116.1	0	0	111.8	R245 F246 A251 E252 E253 G357 Y367	R245-Q249 PolarHBondContact O-N 2.87Å; F246-Q249 PolarHBondContact O-N 3.22Å; Q249-A251 PolarHBondContact O-N 3.42Å; Q249-E252 PolarHBondContact O-N 3.5Å; Q249-E253 WeakPolarHBondContact O-CB 3.48Å; Q249-E253 PolarHBondContact O-N 2.87Å; Q249-G357 WeakPolarHBondContact CB-O 3.43Å; Q249-G357 PolarHBondContact OE1-O 3.11Å; Q249-Y367 HydrophobicContact CG-CE2 4.5Å
250	A	97.1	Very high	96.5	Very high	2 Å²	2	51 Å²	51	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-39.5	176.6	0	0	0	0	0	112.5	V240 F246 H247 E252 E253 I254 V284 M286	V240-A250 HydrophobicContact CB-CB 4.46Å; V240-A250 HydrophobicContact CG1-CB 4.16Å; V240-A250 HydrophobicContact CG2-CB 3.86Å; F246-A250 WeakPolarHBondContact O-CB 3.34Å; F246-A250 PolarHBondContact O-N 3.07Å; H247-A250 PolarHBondContact O-N 3.35Å; A250-E252 VanDerWaalsContact C-N 3.32Å; A250-E252 PolarHBondContact O-N 3.05Å; A250-E253 PolarHBondContact O-N 2.78Å; A250-I254 WeakPolarHBondContact O-CB 3.45Å; A250-I254 WeakPolarHBondContact O-CD1 3.48Å; A250-I254 VanDerWaalsContact O-CG1 3.29Å; A250-I254 WeakPolarHBondContact O-CG1 3.46Å; A250-I254 PolarHBondContact O-N 2.77Å; A250-V284 HydrophobicContact CB-CB 4.16Å; A250-V284 HydrophobicContact CB-CG1 3.84Å; A250-M286 HydrophobicContact CB-CE 4.12Å
251	A	96.9	Very high	96.5	Very high	58 Å²	58	55.8 Å²	55.8	48%	0.479	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-40.7	174.8	0	0	0	0	0	112	H247 R248 Q249 R255	H247-A251 PolarHBondContact O-N 3.48Å; R248-A251 PolarHBondContact O-N 3.24Å; Q249-A251 PolarHBondContact O-N 3.42Å; A251-R255 WeakPolarHBondContact O-CB 3.32Å; A251-R255 PolarHBondContact O-N 2.98Å
252	E	95.9	Very high	96.4	Very high	31 Å²	31	61.2 Å²	61.2	15%	0.145	28%	0.276	C	S	.	.	H	α-helix	trans	-69.3	-40.6	176.2	-173.2	63.7	-174.7	0	0	112.1	R248 Q249 A250 R255 I256 F361	R248-E252 PolarHBondContact O-N 3.01Å; Q249-E252 PolarHBondContact O-N 3.5Å; A250-E252 VanDerWaalsContact C-N 3.32Å; A250-E252 PolarHBondContact O-N 3.05Å; E252-R255 PolarHBondContact O-N 3.45Å; E252-R255 IonicContact OE1-CZ 2.8Å; E252-R255 IonicContact OE1-NE 3.6Å; E252-R255 IonicContact OE1-NH2 3.11Å; E252-R255 PolarHBondContact OE1-NH2 3.31Å; E252-R255 IonicContact OE2-CZ 3.53Å; E252-R255 IonicContact OE2-NE 2.6Å; E252-R255 PolarHBondContact OE2-NE 2.77Å; E252-R255 IonicContact OE2-NH2 2.87Å; E252-R255 PolarHBondContact OE2-NH2 2.92Å; E252-I256 HydrophobicContact CG-CD1 3.97Å; E252-I256 WeakPolarHBondContact O-CB 3.48Å; E252-I256 WeakPolarHBondContact O-CG1 3.22Å; E252-I256 PolarHBondContact O-N 3.19Å; E252-F361 WeakPolarHBondContact OE1-CD2 3.46Å
253	E	97.8	Very high	96.3	Very high	3 Å²	3	63.8 Å²	63.8	1%	0.014	29%	0.287	C	S	.	.	H	α-helix	trans	-57.8	-49.2	174	175.7	165.4	-156.5	0	0	111.4	K238 Q249 A250 R255 I256 L257 M286 F356 G357	K238-E253 VanDerWaalsContact NZ-CD 3.25Å; K238-E253 IonicContact NZ-OE1 3.48Å; K238-E253 PolarHBondContact NZ-OE1 3.4Å; K238-E253 IonicContact NZ-OE2 3.04Å; K238-E253 PolarHBondContact NZ-OE2 3.08Å; Q249-E253 WeakPolarHBondContact O-CB 3.48Å; Q249-E253 PolarHBondContact O-N 2.87Å; A250-E253 PolarHBondContact O-N 2.78Å; E253-R255 PolarHBondContact O-N 2.93Å; E253-I256 PolarHBondContact O-N 3.03Å; E253-L257 HydrophobicContact CG-CD1 3.82Å; E253-L257 WeakPolarHBondContact O-CB 3.11Å; E253-L257 VanDerWaalsContact O-CG 3.27Å; E253-L257 WeakPolarHBondContact O-CG 3.32Å; E253-L257 PolarHBondContact O-N 3.24Å; E253-M286 HydrophobicContact CG-SD 4.08Å; E253-F356 HydrophobicContact CG-CB 3.94Å; E253-F356 PolarHBondContact OE1-N 3.46Å; E253-F356 VanDerWaalsContact OE1-N 3.16Å; E253-G357 WeakPolarHBondContact OE2-CA 3.26Å
254	I	98.6	Very high	96.2	Very high	26 Å²	26	60.6 Å²	60.6	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-56	-50.7	175	-73.5	163.7	0	0	0	110.3	A250 I256 L257 E258 M274 V284 M286	A250-I254 WeakPolarHBondContact O-CB 3.45Å; A250-I254 WeakPolarHBondContact O-CD1 3.48Å; A250-I254 VanDerWaalsContact O-CG1 3.29Å; A250-I254 WeakPolarHBondContact O-CG1 3.46Å; A250-I254 PolarHBondContact O-N 2.77Å; I254-I256 PolarHBondContact O-N 2.82Å; I254-L257 PolarHBondContact O-N 3.17Å; I254-E258 HydrophobicContact CG2-CG 4.41Å; I254-E258 WeakPolarHBondContact O-CB 3.49Å; I254-E258 WeakPolarHBondContact O-CG 3.43Å; I254-E258 PolarHBondContact O-N 3.41Å; I254-M274 HydrophobicContact CB-CE 4.41Å; I254-M274 HydrophobicContact CG1-CE 4.27Å; I254-M274 HydrophobicContact CG1-SD 3.97Å; I254-M274 HydrophobicContact CG2-CE 4.01Å; I254-V284 HydrophobicContact CD1-CG1 3.95Å; I254-M286 HydrophobicContact CD1-CG 4.16Å; I254-M286 HydrophobicContact CD1-SD 4.26Å; I254-M286 HydrophobicContact CG1-CG 3.96Å; I254-M286 HydrophobicContact CG1-SD 3.71Å
255	R	98.2	Very high	96	Very high	84 Å²	84	61.3 Å²	61.3	32%	0.317	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-43.7	-178.6	-172	179.2	75.3	97.9	-14	112.5	A251 E252 E253 H259	A251-R255 WeakPolarHBondContact O-CB 3.32Å; A251-R255 PolarHBondContact O-N 2.98Å; E252-R255 PolarHBondContact O-N 3.45Å; E252-R255 IonicContact OE1-CZ 2.8Å; E252-R255 IonicContact OE1-NE 3.6Å; E252-R255 IonicContact OE1-NH2 3.11Å; E252-R255 PolarHBondContact OE1-NH2 3.31Å; E252-R255 IonicContact OE2-CZ 3.53Å; E252-R255 IonicContact OE2-NE 2.6Å; E252-R255 PolarHBondContact OE2-NE 2.77Å; E252-R255 IonicContact OE2-NH2 2.87Å; E252-R255 PolarHBondContact OE2-NH2 2.92Å; E253-R255 PolarHBondContact O-N 2.93Å; R255-H259 WeakPolarHBondContact O-CB 3.15Å; R255-H259 PolarHBondContact O-N 3.13Å
256	I	98.4	Very high	96	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.8	-47.4	178	-74.9	170.8	0	0	0	110.6	E252 E253 I254 H259 L260 I331 F356 F361	E252-I256 HydrophobicContact CG-CD1 3.97Å; E252-I256 WeakPolarHBondContact O-CB 3.48Å; E252-I256 WeakPolarHBondContact O-CG1 3.22Å; E252-I256 PolarHBondContact O-N 3.19Å; E253-I256 PolarHBondContact O-N 3.03Å; I254-I256 PolarHBondContact O-N 2.82Å; I256-H259 WeakPolarHBondContact O-CB 3.46Å; I256-H259 PolarHBondContact O-N 2.96Å; I256-L260 HydrophobicContact CG2-CD1 3.87Å; I256-L260 HydrophobicContact CG2-CG 4.49Å; I256-L260 WeakPolarHBondContact O-CG 3.2Å; I256-L260 PolarHBondContact O-N 2.94Å; I256-I331 HydrophobicContact CG2-CD1 4.05Å; I256-I331 HydrophobicContact CG2-CG2 4.15Å; I256-F356 HydrophobicContact CG2-CD1 3.77Å; I256-F356 HydrophobicContact CG2-CE1 4.41Å; I256-F356 HydrophobicContact CG2-CG 4.49Å; I256-F361 HydrophobicContact CD1-CE2 4.37Å; I256-F361 HydrophobicContact CG1-CD2 4.13Å; I256-F361 HydrophobicContact CG1-CE2 3.53Å; I256-F361 HydrophobicContact CG1-CZ 4.13Å
257	L	98.4	Very high	95.7	Very high	5 Å²	5	63.1 Å²	63.1	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-67.1	-38.8	-177.9	-71.5	171.8	0	0	0	112.3	E253 I254 L260 K261 V271 I272 M274 F288 F356	E253-L257 HydrophobicContact CG-CD1 3.82Å; E253-L257 WeakPolarHBondContact O-CB 3.11Å; E253-L257 VanDerWaalsContact O-CG 3.27Å; E253-L257 WeakPolarHBondContact O-CG 3.32Å; E253-L257 PolarHBondContact O-N 3.24Å; I254-L257 PolarHBondContact O-N 3.17Å; L257-L260 PolarHBondContact O-N 3.37Å; L257-K261 WeakPolarHBondContact O-CB 3.25Å; L257-K261 PolarHBondContact O-N 2.91Å; L257-V271 HydrophobicContact CD2-CG1 3.99Å; L257-I272 HydrophobicContact CD2-CG2 4.07Å; L257-M274 HydrophobicContact CD1-CB 4.34Å; L257-M274 HydrophobicContact CD1-SD 4.48Å; L257-F288 HydrophobicContact CD1-CE1 3.74Å; L257-F288 HydrophobicContact CD1-CZ 4.23Å; L257-F356 HydrophobicContact CD2-CB 4.43Å; L257-F356 HydrophobicContact CD2-CD2 3.69Å; L257-F356 HydrophobicContact CD2-CE2 4.08Å; L257-F356 HydrophobicContact CD2-CG 4Å; L257-F356 HydrophobicContact CG-CB 4.37Å; L257-F356 HydrophobicContact CG-CD2 4.5Å; L257-F356 HydrophobicContact CG-CG 4.44Å
258	E	98.1	Very high	95.6	Very high	85 Å²	85	63.5 Å²	63.5	40%	0.397	31%	0.311	S	S	.	.	H	α-helix	trans	-62.9	-41.9	172.1	-74.4	-178.1	170.1	0	0	112.1	I254 K261 K262 M274	I254-E258 HydrophobicContact CG2-CG 4.41Å; I254-E258 WeakPolarHBondContact O-CB 3.49Å; I254-E258 WeakPolarHBondContact O-CG 3.43Å; I254-E258 PolarHBondContact O-N 3.41Å; E258-K261 PolarHBondContact O-N 3.04Å; E258-K262 WeakPolarHBondContact O-CG 3.35Å; E258-K262 PolarHBondContact O-N 2.71Å; E258-K262 VanDerWaalsContact O-N 3.15Å; E258-M274 HydrophobicContact CG-CE 4.07Å
259	H	97.9	Very high	95.8	Very high	59 Å²	59	55.4 Å²	55.4	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-60.3	-47.7	175.5	178.7	77.4	0	0	0	111.5	R255 I256 K262 N329 F361	R255-H259 WeakPolarHBondContact O-CB 3.15Å; R255-H259 PolarHBondContact O-N 3.13Å; I256-H259 WeakPolarHBondContact O-CB 3.46Å; I256-H259 PolarHBondContact O-N 2.96Å; H259-K262 PolarHBondContact O-N 3.34Å; H259-N329 PolarHBondContact NE2-OD1 3.35Å; H259-F361 HydrophobicContact CB-CZ 4.49Å
260	L	97.8	Very high	95.9	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-66.4	-41.7	178.5	-68.3	169.6	0	0	0	112.1	I256 L257 K262 Q263 D264 M269 V271 L326 N329 I331 F356	I256-L260 HydrophobicContact CG2-CD1 3.87Å; I256-L260 HydrophobicContact CG2-CG 4.49Å; I256-L260 WeakPolarHBondContact O-CG 3.2Å; I256-L260 PolarHBondContact O-N 2.94Å; L257-L260 PolarHBondContact O-N 3.37Å; L260-K262 VanDerWaalsContact C-N 3.27Å; L260-K262 PolarHBondContact O-N 2.87Å; L260-Q263 WeakPolarHBondContact O-CA 3.45Å; L260-Q263 PolarHBondContact O-N 2.86Å; L260-D264 PolarHBondContact O-N 2.72Å; L260-M269 HydrophobicContact CB-CE 4.35Å; L260-M269 HydrophobicContact CD2-CE 3.61Å; L260-V271 HydrophobicContact CD1-CG1 4.14Å; L260-L326 HydrophobicContact CD1-CD2 3.56Å; L260-L326 HydrophobicContact CD2-CD2 3.95Å; L260-L326 HydrophobicContact CG-CD2 4.42Å; L260-N329 HydrophobicContact CD2-CB 4.41Å; L260-I331 HydrophobicContact CD1-CD1 4.31Å; L260-I331 HydrophobicContact CD2-CD1 3.84Å; L260-I331 HydrophobicContact CG-CD1 4.01Å; L260-F356 HydrophobicContact CD1-CE1 3.93Å; L260-F356 HydrophobicContact CD1-CZ 4.34Å
261	K	96.5	Very high	96	Very high	106 Å²	106	55.4 Å²	55.4	46%	0.461	28%	0.282	S	S	.	.	H	α-helix	trans	-59.3	-36.2	178	-175.5	178.1	-178.7	177.1	0	112.4	L257 E258 Q263 D264 M274	L257-K261 WeakPolarHBondContact O-CB 3.25Å; L257-K261 PolarHBondContact O-N 2.91Å; E258-K261 PolarHBondContact O-N 3.04Å; K261-Q263 PolarHBondContact O-N 3.48Å; K261-D264 PolarHBondContact O-N 3.47Å; K261-M274 PolarHBondContact NZ-O 3.48Å
262	K	95.7	Very high	96.1	Very high	149 Å²	149	53.1 Å²	53.1	65%	0.648	26%	0.262	S	S	*	.	H	α-helix	trans	-62.5	-28.7	174.6	-72.6	168.6	-174.9	172.1	0	112.7	E258 H259 L260	E258-K262 WeakPolarHBondContact O-CG 3.35Å; E258-K262 PolarHBondContact O-N 2.71Å; E258-K262 VanDerWaalsContact O-N 3.15Å; H259-K262 PolarHBondContact O-N 3.34Å; L260-K262 VanDerWaalsContact C-N 3.27Å; L260-K262 PolarHBondContact O-N 2.87Å
263	Q	94.9	Very high	96.1	Very high	106 Å²	106	54 Å²	54	50%	0.495	27%	0.266	S	S	.	.	H	α-helix	trans	-90.2	-25.5	179.1	-50.3	-53.6	-33.3	0	0	112.8	L260 K261 K265 M269	L260-Q263 WeakPolarHBondContact O-CA 3.45Å; L260-Q263 PolarHBondContact O-N 2.86Å; K261-Q263 PolarHBondContact O-N 3.48Å; Q263-K265 VanDerWaalsContact C-N 3.32Å; Q263-K265 PolarHBondContact O-N 2.97Å; Q263-M269 HydrophobicContact CB-CE 4.28Å; Q263-M269 HydrophobicContact CB-SD 4.09Å
264	D	94.1	Very high	96.1	Very high	19 Å²	19	54.5 Å²	54.5	10%	0.102	27%	0.268	C	S	.	.			trans	-80.4	68.3	-175.5	-160.8	12.2	0	0	0	113.1	L260 K261 T266 G267 S268 M269 H273	L260-D264 PolarHBondContact O-N 2.72Å; K261-D264 PolarHBondContact O-N 3.47Å; D264-T266 VanDerWaalsContact C-N 3.3Å; D264-T266 PolarHBondContact O-N 3.29Å; D264-G267 VanDerWaalsContact OD1-C 3.29Å; D264-G267 WeakPolarHBondContact OD1-CA 3.35Å; D264-G267 PolarHBondContact OD1-N 3.46Å; D264-G267 WeakPolarHBondContact OD2-CA 3.3Å; D264-S268 PolarHBondContact OD1-N 3.36Å; D264-M269 WeakPolarHBondContact CA-SD 3.36Å; D264-M269 HydrophobicContact CB-CB 4.34Å; D264-M269 HydrophobicContact CB-CG 4.01Å; D264-M269 HydrophobicContact CB-SD 3.4Å; D264-M269 WeakPolarHBondContact CB-SD 3.39Å; D264-M269 PolarHBondContact N-SD 3.12Å; D264-M269 WeakPolarHBondContact OD1-CG 3.41Å; D264-M269 PolarHBondContact OD1-N 3.09Å; D264-H273 IonicContact OD2-CD2 3.94Å; D264-H273 IonicContact OD2-CE1 3.61Å; D264-H273 IonicContact OD2-NE2 2.81Å; D264-H273 PolarHBondContact OD2-NE2 2.87Å
265	K	89.9	Confident	96.1	Very high	190 Å²	190	56.4 Å²	56.4	83%	0.826	28%	0.278	S	S	*	.	S	Bend	trans	-70.8	-22.6	-176.6	-60.8	-155.6	179	-171.9	0	114.4	Q263	Q263-K265 VanDerWaalsContact C-N 3.32Å; Q263-K265 PolarHBondContact O-N 2.97Å
266	T	91.3	Very high	96	Very high	116 Å²	116	56.3 Å²	56.3	71%	0.712	28%	0.282	S	S	*	.	S	Bend	trans	-117.4	-1.1	-172.8	56.2	0	0	0	0	113.1	D264 S268	D264-T266 VanDerWaalsContact C-N 3.3Å; D264-T266 PolarHBondContact O-N 3.29Å; T266-S268 PolarHBondContact O-N 3.01Å; T266-S268 WeakPolarHBondContact OG1-CB 3.45Å; T266-S268 PolarHBondContact OG1-OG 2.94Å
267	G	89.1	Confident	96	Very high	25 Å²	25	58.3 Å²	58.3	26%	0.258	30%	0.295	S	S	.	.	S	Bend	trans	70.2	16.7	-174.6	0	0	0	0	0	113.8	D264	D264-G267 VanDerWaalsContact OD1-C 3.29Å; D264-G267 WeakPolarHBondContact OD1-CA 3.35Å; D264-G267 PolarHBondContact OD1-N 3.46Å; D264-G267 WeakPolarHBondContact OD2-CA 3.3Å
268	S	93.6	Very high	96.1	Very high	61 Å²	61	60.1 Å²	60.1	43%	0.427	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-12.6	-175	63.8	0	0	0	0	113.6	D264 T266 N270	D264-S268 PolarHBondContact OD1-N 3.36Å; T266-S268 PolarHBondContact O-N 3.01Å; T266-S268 WeakPolarHBondContact OG1-CB 3.45Å; T266-S268 PolarHBondContact OG1-OG 2.94Å; S268-N270 PolarHBondContact O-N 2.83Å
269	M	96.9	Very high	96.1	Very high	19 Å²	19	60 Å²	60	9%	0.094	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-12.9	-179.3	-64.3	176.1	74.3	0	0	112.8	L260 Q263 D264 V271 S322 A325	L260-M269 HydrophobicContact CB-CE 4.35Å; L260-M269 HydrophobicContact CD2-CE 3.61Å; Q263-M269 HydrophobicContact CB-CE 4.28Å; Q263-M269 HydrophobicContact CB-SD 4.09Å; D264-M269 WeakPolarHBondContact CA-SD 3.36Å; D264-M269 HydrophobicContact CB-CB 4.34Å; D264-M269 HydrophobicContact CB-CG 4.01Å; D264-M269 HydrophobicContact CB-SD 3.4Å; D264-M269 WeakPolarHBondContact CB-SD 3.39Å; D264-M269 PolarHBondContact N-SD 3.12Å; D264-M269 WeakPolarHBondContact OD1-CG 3.41Å; D264-M269 PolarHBondContact OD1-N 3.09Å; M269-V271 HydrophobicContact CB-CG2 4.37Å; M269-V271 PolarHBondContact O-N 3.4Å; M269-V271 VanDerWaalsContact O-N 3.14Å; M269-S322 WeakPolarHBondContact O-CA 3.49Å; M269-S322 PolarHBondContact O-N 2.77Å; M269-S322 PolarHBondContact O-OG 3.26Å; M269-A325 HydrophobicContact CB-CB 4.01Å; M269-A325 HydrophobicContact CE-CB 3.29Å; M269-A325 HydrophobicContact CG-CB 3.92Å; M269-A325 HydrophobicContact SD-CB 4.39Å
270	N	97.9	Very high	96.1	Very high	14 Å²	14	57.3 Å²	57.3	8%	0.075	30%	0.296	C	S	.	.			trans	50.9	37.6	-177.4	-67.4	-24.8	0	0	0	112.7	S268 S318 Q321 S322 K344 T351 K352 V353	S268-N270 PolarHBondContact O-N 2.83Å; N270-S318 PolarHBondContact ND2-O 2.77Å; N270-S318 PolarHBondContact ND2-OG 3.24Å; N270-Q321 HydrophobicContact CB-CB 4.45Å; N270-S322 WeakPolarHBondContact CB-OG 3.43Å; N270-S322 PolarHBondContact O-OG 2.8Å; N270-K344 WeakPolarHBondContact OD1-CE 3.5Å; N270-K344 PolarHBondContact OD1-NZ 3.3Å; N270-T351 WeakPolarHBondContact CB-O 3.25Å; N270-K352 CarbonylContact O-C 3.14Å; N270-K352 WeakPolarHBondContact O-CA 3.39Å; N270-V353 PolarHBondContact O-N 2.87Å
271	V	98.3	Very high	96.1	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.024	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-106.4	144.2	171.8	173	0	0	0	0	108.2	L257 L260 M269 H273 K352 F356	L257-V271 HydrophobicContact CD2-CG1 3.99Å; L260-V271 HydrophobicContact CD1-CG1 4.14Å; M269-V271 HydrophobicContact CB-CG2 4.37Å; M269-V271 PolarHBondContact O-N 3.4Å; M269-V271 VanDerWaalsContact O-N 3.14Å; V271-H273 PolarHBondContact O-CD2 2.84Å; V271-H273 VanDerWaalsContact O-CD2 3.3Å; V271-K352 WeakPolarHBondContact O-CD 2.98Å; V271-K352 PolarHBondContact O-NZ 3.15Å; V271-F356 HydrophobicContact CG1-CE2 3.7Å; V271-F356 HydrophobicContact CG1-CZ 3.66Å; V271-F356 HydrophobicContact CG2-CZ 4.17Å
272	I	98	Very high	96.2	Very high	11 Å²	11	56.6 Å²	56.6	6%	0.056	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-56.5	137	175.4	-170.4	70.3	0	0	0	111.6	L257 F288 E289 L291 V353 I354 F356	L257-I272 HydrophobicContact CD2-CG2 4.07Å; I272-F288 HydrophobicContact CD1-CB 4.29Å; I272-F288 HydrophobicContact CG1-CB 4.05Å; I272-F288 HydrophobicContact CG1-CD1 3.64Å; I272-F288 HydrophobicContact CG1-CE1 4.44Å; I272-F288 HydrophobicContact CG1-CG 4.13Å; I272-F288 HydrophobicContact CG2-CD1 4.33Å; I272-F288 HydrophobicContact CG2-CE1 4.34Å; I272-E289 HydrophobicContact CD1-CG 3.52Å; I272-L291 HydrophobicContact CD1-CD1 3.53Å; I272-L291 HydrophobicContact CD1-CG 3.9Å; I272-V353 PolarHBondContact N-O 3.24Å; I272-I354 HydrophobicContact CB-CB 4.49Å; I272-I354 HydrophobicContact CB-CG2 3.87Å; I272-I354 HydrophobicContact CD1-CG2 4.12Å; I272-I354 HydrophobicContact CG1-CG2 4.17Å; I272-I354 HydrophobicContact CG2-CB 4.43Å; I272-I354 HydrophobicContact CG2-CG2 4.35Å; I272-F356 HydrophobicContact CG2-CD2 4.41Å; I272-F356 HydrophobicContact CG2-CE2 4.34Å
273	H	97.3	Very high	96.3	Very high	49 Å²	49	49.6 Å²	49.6	23%	0.227	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-94.4	116.6	177.2	-66	171	0	0	0	110.7	D264 V271 F288 E289 K352	D264-H273 IonicContact OD2-CD2 3.94Å; D264-H273 IonicContact OD2-CE1 3.61Å; D264-H273 IonicContact OD2-NE2 2.81Å; D264-H273 PolarHBondContact OD2-NE2 2.87Å; V271-H273 PolarHBondContact O-CD2 2.84Å; V271-H273 VanDerWaalsContact O-CD2 3.3Å; H273-F288 WeakPolarHBondContact O-CA 3.34Å; H273-E289 WeakPolarHBondContact CB-OE1 3.41Å; H273-E289 IonicContact CG-OE1 3.91Å; H273-E289 PolarHBondContact N-OE1 3.26Å; H273-E289 IonicContact ND1-OE1 3.98Å; H273-E289 PolarHBondContact O-N 3.09Å; H273-K352 PolarHBondContact CE1-NZ 3.36Å; H273-K352 PolarHBondContact ND1-NZ 2.67Å
274	M	98.1	Very high	96.5	Very high	13 Å²	13	45.3 Å²	45.3	6%	0.064	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	126.2	167	-165.6	178.4	69.7	0	0	109.6	I254 L257 E258 K261 M286 F288	I254-M274 HydrophobicContact CB-CE 4.41Å; I254-M274 HydrophobicContact CG1-CE 4.27Å; I254-M274 HydrophobicContact CG1-SD 3.97Å; I254-M274 HydrophobicContact CG2-CE 4.01Å; L257-M274 HydrophobicContact CD1-CB 4.34Å; L257-M274 HydrophobicContact CD1-SD 4.48Å; E258-M274 HydrophobicContact CG-CE 4.07Å; K261-M274 PolarHBondContact NZ-O 3.48Å; M274-M286 HydrophobicContact SD-CB 4.21Å; M274-M286 HydrophobicContact SD-CG 3.9Å; M274-M286 HydrophobicContact SD-SD 4.27Å; M274-F288 HydrophobicContact CB-CD1 4.06Å; M274-F288 HydrophobicContact CB-CE1 3.87Å; M274-F288 HydrophobicContact CG-CD1 4.31Å; M274-F288 HydrophobicContact CG-CE1 3.98Å; M274-F288 HydrophobicContact CG-CZ 4.45Å
275	L	97.6	Very high	96.7	Very high	66 Å²	66	44.4 Å²	44.4	35%	0.346	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-43.4	-178.9	-55.6	-179.8	0	0	0	110.9	V235 A287	V235-L275 HydrophobicContact CB-CD1 4.38Å; V235-L275 HydrophobicContact CG1-CD1 3.64Å; L275-A287 HydrophobicContact CB-CB 4.45Å; L275-A287 PolarHBondContact N-O 3.28Å
276	E	97.4	Very high	97.1	Very high	83 Å²	83	35.4 Å²	35.4	39%	0.388	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	151.3	-175	-158.2	88.4	-109.4	0	0	109.7	R208 F278 A287	R208-E276 IonicContact CZ-OE2 3.39Å; R208-E276 IonicContact NH1-OE2 3.72Å; R208-E276 PolarHBondContact NH1-OE2 3.26Å; R208-E276 IonicContact NH2-OE2 3.52Å; E276-F278 HydrophobicContact CG-CD1 4.22Å; E276-A287 HydrophobicContact CB-CB 4.2Å; E276-A287 PolarHBondContact N-O 3.08Å; E276-A287 PolarHBondContact O-N 3.31Å
277	S	98.4	Very high	97.5	Very high	41 Å²	41	29.9 Å²	29.9	29%	0.287	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.8	166.8	60.8	0	0	0	0	110.6	C285	S277-C285 CarbonylContact C-O 3.29Å; S277-C285 VanDerWaalsContact CA-O 3.26Å; S277-C285 WeakPolarHBondContact CA-O 3.27Å
278	F	98.5	Very high	97.9	Very high	43 Å²	43	29.5 Å²	29.5	19%	0.189	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	172.6	-178.6	57	-84.6	0	0	0	110.5	A206 Y209 L237 E276 F280 C285	A206-F278 HydrophobicContact CB-CD2 3.82Å; A206-F278 HydrophobicContact CB-CE2 3.46Å; A206-F278 VanDerWaalsContact CB-CE2 3.46Å; A206-F278 HydrophobicContact CB-CZ 4.11Å; Y209-F278 HydrophobicContact CD2-CE1 4.16Å; Y209-F278 AromaticContact CD2-CZ 3.77Å; Y209-F278 HydrophobicContact CD2-CZ 3.77Å; Y209-F278 HydrophobicContact CE2-CD1 4.46Å; Y209-F278 AromaticContact CE2-CE1 3.43Å; Y209-F278 HydrophobicContact CE2-CE1 3.43Å; Y209-F278 VanDerWaalsContact CE2-CE1 3.43Å; Y209-F278 AromaticContact CE2-CZ 3.51Å; Y209-F278 HydrophobicContact CE2-CZ 3.51Å; L237-F278 HydrophobicContact CD1-CZ 4.4Å; E276-F278 HydrophobicContact CG-CD1 4.22Å; F278-F280 HydrophobicContact CD2-CB 4.15Å; F278-F280 HydrophobicContact CE2-CB 3.97Å; F278-C285 HydrophobicContact CD1-CB 4.21Å; F278-C285 HydrophobicContact CD2-CB 3.74Å; F278-C285 HydrophobicContact CE1-CB 3.93Å; F278-C285 HydrophobicContact CE2-CB 3.42Å; F278-C285 VanDerWaalsContact CE2-CB 3.42Å; F278-C285 HydrophobicContact CG-CB 4.13Å; F278-C285 HydrophobicContact CZ-CB 3.53Å; F278-C285 PolarHBondContact N-O 3.2Å; F278-C285 WeakPolarHBondContact O-CA 3.48Å; F278-C285 WeakPolarHBondContact O-CB 3.06Å; F278-C285 PolarHBondContact O-N 3.43Å
279	T	98.4	Very high	98.1	Very high	84 Å²	84	29 Å²	29	52%	0.515	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.6	171.8	-60.5	0	0	0	0	109.3	H283	T279-H283 CarbonylContact C-O 3.47Å; T279-H283 VanDerWaalsContact CA-O 3.28Å; T279-H283 WeakPolarHBondContact CA-O 3.29Å
280	F	98.6	Very high	98.2	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	125.2	175.4	178.8	-104.2	0	0	0	109.3	Y165 H204 L205 A206 M239 F278 N282 H283	Y165-F280 WeakPolarHBondContact OH-CD2 3.45Å; H204-F280 AromaticContact CE1-CZ 3.83Å; L205-F280 HydrophobicContact CB-CD1 4.38Å; L205-F280 HydrophobicContact CB-CE1 4.46Å; L205-F280 HydrophobicContact CD2-CD1 3.65Å; L205-F280 HydrophobicContact CD2-CE1 3.49Å; L205-F280 VanDerWaalsContact CD2-CE1 3.49Å; L205-F280 HydrophobicContact CD2-CZ 4.49Å; A206-F280 HydrophobicContact CB-CD2 4.18Å; A206-F280 VanDerWaalsContact N-CD2 3.27Å; A206-F280 VanDerWaalsContact N-CE2 3.31Å; M239-F280 HydrophobicContact CE-CD1 4.18Å; F278-F280 HydrophobicContact CD2-CB 4.15Å; F278-F280 HydrophobicContact CE2-CB 3.97Å; F280-N282 VanDerWaalsContact C-N 3.3Å; F280-N282 PolarHBondContact O-N 3.49Å; F280-H283 PolarHBondContact N-O 3.07Å; F280-H283 PolarHBondContact O-N 3.42Å
281	R	98.2	Very high	98.1	Very high	10 Å²	10	31.5 Å²	31.5	4%	0.038	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	50.4	-178.6	-62.6	-179.1	-179	163	0.6	113	Y157 E158 E161 N187 Y197 H283	Y157-R281 HydrophobicContact CE1-CG 4.33Å; E158-R281 IonicContact OE1-NH2 2.69Å; E161-R281 WeakPolarHBondContact OE1-CG 3.45Å; E161-R281 IonicContact OE1-NE 3.81Å; E161-R281 PolarHBondContact OE1-NE 2.93Å; E161-R281 IonicContact OE2-CZ 3.76Å; E161-R281 IonicContact OE2-NE 2.82Å; E161-R281 PolarHBondContact OE2-NE 2.97Å; E161-R281 VanDerWaalsContact OE2-NE 3.12Å; E161-R281 IonicContact OE2-NH2 3.11Å; E161-R281 PolarHBondContact OE2-NH2 3.02Å; N187-R281 PolarHBondContact ND2-O 3.06Å; Y197-R281 HydrophobicContact CE2-CB 4.38Å; Y197-R281 PolarHBondContact OH-NH1 3.25Å; R281-H283 PolarHBondContact O-CD2 3.07Å; R281-H283 PolarHBondContact O-N 2.93Å
282	N	97.9	Very high	98.1	Very high	85 Å²	85	33 Å²	33	46%	0.455	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	7	-179	-58.6	-45.7	0	0	0	117	N187 N242 H247 F280	N187-N282 PolarHBondContact OD1-ND2 2.87Å; N242-N282 PolarHBondContact OD1-O 2.82Å; H247-N282 PolarHBondContact CE1-O 3.43Å; H247-N282 PolarHBondContact NE2-O 3.49Å; F280-N282 VanDerWaalsContact C-N 3.3Å; F280-N282 PolarHBondContact O-N 3.49Å
283	H	98.6	Very high	98	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	137	171.6	-64.8	-90.7	0	0	0	111.5	D191 G195 Y197 M239 V240 T279 F280 R281	D191-H283 IonicContact OD1-CD2 3.77Å; D191-H283 IonicContact OD1-CE1 3.12Å; D191-H283 IonicContact OD1-NE2 2.72Å; D191-H283 PolarHBondContact OD1-NE2 2.97Å; D191-H283 IonicContact OD2-CE1 3.26Å; D191-H283 IonicContact OD2-NE2 2.71Å; D191-H283 PolarHBondContact OD2-NE2 2.91Å; G195-H283 PolarHBondContact O-CE1 2.92Å; Y197-H283 AromaticContact CD2-CD2 3.75Å; Y197-H283 AromaticContact CD2-NE2 3.69Å; Y197-H283 PolarHBondContact N-CE1 3.5Å; M239-H283 HydrophobicContact CE-CB 3.67Å; M239-H283 HydrophobicContact CG-CB 3.77Å; V240-H283 PolarHBondContact O-ND1 3.38Å; T279-H283 CarbonylContact C-O 3.47Å; T279-H283 VanDerWaalsContact CA-O 3.28Å; T279-H283 WeakPolarHBondContact CA-O 3.29Å; F280-H283 PolarHBondContact N-O 3.07Å; F280-H283 PolarHBondContact O-N 3.42Å; R281-H283 PolarHBondContact O-CD2 3.07Å; R281-H283 PolarHBondContact O-N 2.93Å
284	V	98.5	Very high	98	Very high	17 Å²	17	34 Å²	34	10%	0.103	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	129.4	165.1	175.9	0	0	0	0	108.5	V240 H247 A250 I254	V240-V284 HydrophobicContact CB-CB 4.21Å; V240-V284 WeakPolarHBondContact CB-O 3.15Å; V240-V284 HydrophobicContact CG2-CB 4.28Å; V240-V284 HydrophobicContact CG2-CG1 4.48Å; V240-V284 WeakPolarHBondContact CG2-O 3.4Å; V240-V284 PolarHBondContact N-O 3.24Å; H247-V284 VanDerWaalsContact ND1-CG2 3.32Å; H247-V284 WeakPolarHBondContact ND1-CG2 3.4Å; A250-V284 HydrophobicContact CB-CB 4.16Å; A250-V284 HydrophobicContact CB-CG1 3.84Å; I254-V284 HydrophobicContact CD1-CG1 3.95Å
285	C	98.6	Very high	98.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.2	-175.3	-73.3	0	0	0	0	109.3	L237 K238 S277 F278	L237-C285 HydrophobicContact CD2-CB 3.9Å; K238-C285 CarbonylContact O-C 3.57Å; K238-C285 WeakPolarHBondContact O-CA 3.47Å; S277-C285 CarbonylContact C-O 3.29Å; S277-C285 VanDerWaalsContact CA-O 3.26Å; S277-C285 WeakPolarHBondContact CA-O 3.27Å; F278-C285 HydrophobicContact CD1-CB 4.21Å; F278-C285 HydrophobicContact CD2-CB 3.74Å; F278-C285 HydrophobicContact CE1-CB 3.93Å; F278-C285 HydrophobicContact CE2-CB 3.42Å; F278-C285 VanDerWaalsContact CE2-CB 3.42Å; F278-C285 HydrophobicContact CG-CB 4.13Å; F278-C285 HydrophobicContact CZ-CB 3.53Å; F278-C285 PolarHBondContact N-O 3.2Å; F278-C285 WeakPolarHBondContact O-CA 3.48Å; F278-C285 WeakPolarHBondContact O-CB 3.06Å; F278-C285 PolarHBondContact O-N 3.43Å
286	M	98.8	Very high	98.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121	176.5	-67.9	169.5	-86.3	0	0	109.9	L237 K238 V240 A250 E253 I254 M274 F288	L237-M286 WeakPolarHBondContact CA-O 3.42Å; K238-M286 HydrophobicContact CB-CB 4.47Å; K238-M286 HydrophobicContact CD-CE 3.88Å; K238-M286 HydrophobicContact CG-CE 4.36Å; K238-M286 PolarHBondContact N-O 3.1Å; K238-M286 PolarHBondContact O-N 3.37Å; V240-M286 HydrophobicContact CG2-CE 3.49Å; V240-M286 VanDerWaalsContact CG2-CE 3.49Å; A250-M286 HydrophobicContact CB-CE 4.12Å; E253-M286 HydrophobicContact CG-SD 4.08Å; I254-M286 HydrophobicContact CD1-CG 4.16Å; I254-M286 HydrophobicContact CD1-SD 4.26Å; I254-M286 HydrophobicContact CG1-CG 3.96Å; I254-M286 HydrophobicContact CG1-SD 3.71Å; M274-M286 HydrophobicContact SD-CB 4.21Å; M274-M286 HydrophobicContact SD-CG 3.9Å; M274-M286 HydrophobicContact SD-SD 4.27Å; M286-F288 HydrophobicContact CB-CD2 4.34Å; M286-F288 HydrophobicContact CB-CE2 3.44Å; M286-F288 VanDerWaalsContact CB-CE2 3.44Å; M286-F288 HydrophobicContact CB-CZ 3.62Å; M286-F288 HydrophobicContact CG-CZ 4.43Å; M286-F288 WeakPolarHBondContact O-CD2 3.47Å; M286-F288 WeakPolarHBondContact O-CE2 3.44Å; M286-F288 HydrophobicContact SD-CZ 4.09Å
287	A	98.6	Very high	98.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.7	175.1	0	0	0	0	0	110.2	Y209 A236 L275 E276	Y209-A287 HydrophobicContact CE1-CB 4.43Å; A236-A287 CarbonylContact O-C 3.39Å; A236-A287 WeakPolarHBondContact O-CA 3.49Å; L275-A287 HydrophobicContact CB-CB 4.45Å; L275-A287 PolarHBondContact N-O 3.28Å; E276-A287 HydrophobicContact CB-CB 4.2Å; E276-A287 PolarHBondContact N-O 3.08Å; E276-A287 PolarHBondContact O-N 3.31Å
288	F	98.6	Very high	98.1	Very high	16 Å²	16	30.6 Å²	30.6	7%	0.07	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	156.4	-178.2	-60	-83.8	0	0	0	110.9	V235 A236 K238 L257 I272 H273 M274 M286 L290	V235-F288 WeakPolarHBondContact CB-O 3.25Å; A236-F288 HydrophobicContact CB-CB 4.39Å; A236-F288 PolarHBondContact N-O 2.84Å; A236-F288 PolarHBondContact O-N 3.46Å; K238-F288 HydrophobicContact CB-CD2 4.41Å; K238-F288 HydrophobicContact CB-CE2 3.8Å; K238-F288 HydrophobicContact CD-CE2 4.28Å; L257-F288 HydrophobicContact CD1-CE1 3.74Å; L257-F288 HydrophobicContact CD1-CZ 4.23Å; I272-F288 HydrophobicContact CD1-CB 4.29Å; I272-F288 HydrophobicContact CG1-CB 4.05Å; I272-F288 HydrophobicContact CG1-CD1 3.64Å; I272-F288 HydrophobicContact CG1-CE1 4.44Å; I272-F288 HydrophobicContact CG1-CG 4.13Å; I272-F288 HydrophobicContact CG2-CD1 4.33Å; I272-F288 HydrophobicContact CG2-CE1 4.34Å; H273-F288 WeakPolarHBondContact O-CA 3.34Å; M274-F288 HydrophobicContact CB-CD1 4.06Å; M274-F288 HydrophobicContact CB-CE1 3.87Å; M274-F288 HydrophobicContact CG-CD1 4.31Å; M274-F288 HydrophobicContact CG-CE1 3.98Å; M274-F288 HydrophobicContact CG-CZ 4.45Å; M286-F288 HydrophobicContact CB-CD2 4.34Å; M286-F288 HydrophobicContact CB-CE2 3.44Å; M286-F288 VanDerWaalsContact CB-CE2 3.44Å; M286-F288 HydrophobicContact CB-CZ 3.62Å; M286-F288 HydrophobicContact CG-CZ 4.43Å; M286-F288 WeakPolarHBondContact O-CD2 3.47Å; M286-F288 WeakPolarHBondContact O-CE2 3.44Å; M286-F288 HydrophobicContact SD-CZ 4.09Å; F288-L290 PolarHBondContact O-N 3.43Å
289	E	97.4	Very high	98.1	Very high	50 Å²	50	28.6 Å²	28.6	23%	0.234	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	139	164	69.6	-170.9	130	0	0	110.4	I272 H273 L291 K352	I272-E289 HydrophobicContact CD1-CG 3.52Å; H273-E289 WeakPolarHBondContact CB-OE1 3.41Å; H273-E289 IonicContact CG-OE1 3.91Å; H273-E289 PolarHBondContact N-OE1 3.26Å; H273-E289 IonicContact ND1-OE1 3.98Å; H273-E289 PolarHBondContact O-N 3.09Å; E289-L291 HydrophobicContact CG-CD2 3.89Å; E289-L291 HydrophobicContact CG-CG 4.23Å; E289-L291 PolarHBondContact O-N 2.99Å; E289-K352 VanDerWaalsContact CD-NZ 3.26Å; E289-K352 WeakPolarHBondContact OE1-CD 3.46Å; E289-K352 WeakPolarHBondContact OE1-CE 3.46Å; E289-K352 IonicContact OE1-NZ 3.44Å; E289-K352 PolarHBondContact OE1-NZ 3.32Å; E289-K352 IonicContact OE2-NZ 2.7Å; E289-K352 PolarHBondContact OE2-NZ 3.07Å; E289-K352 VanDerWaalsContact OE2-NZ 3.11Å
290	L	97.8	Very high	98.1	Very high	58 Å²	58	29.5 Å²	29.5	30%	0.304	15%	0.148	S	C	.	.			trans	-83.2	117.4	178.5	-172.3	66.2	0	0	0	109.8	I215 R225 A236 F288	I215-L290 HydrophobicContact CD1-CD1 3.97Å; R225-L290 HydrophobicContact CG-CD2 4.09Å; A236-L290 HydrophobicContact CB-CD1 3.94Å; F288-L290 PolarHBondContact O-N 3.43Å
291	L	97.5	Very high	98	Very high	29 Å²	29	36 Å²	36	15%	0.152	18%	0.176	C	C	.	.			trans	-99.6	-176.1	176.4	-57.5	-176.3	0	0	0	111.7	I272 E289 L342 K352 I354	I272-L291 HydrophobicContact CD1-CD1 3.53Å; I272-L291 HydrophobicContact CD1-CG 3.9Å; E289-L291 HydrophobicContact CG-CD2 3.89Å; E289-L291 HydrophobicContact CG-CG 4.23Å; E289-L291 PolarHBondContact O-N 2.99Å; L291-L342 HydrophobicContact CB-CB 3.94Å; L291-L342 HydrophobicContact CB-CD1 3.94Å; L291-L342 HydrophobicContact CD1-CB 3.73Å; L291-L342 HydrophobicContact CD1-CD1 4.01Å; L291-L342 HydrophobicContact CD1-CG 4.49Å; L291-L342 HydrophobicContact CG-CD1 4.44Å; L291-K352 HydrophobicContact CD1-CB 3.79Å; L291-K352 HydrophobicContact CD1-CD 4.23Å; L291-K352 HydrophobicContact CD1-CG 4.34Å; L291-K352 HydrophobicContact CD2-CD 4.42Å; L291-I354 HydrophobicContact CD1-CG2 4.33Å
292	S	96.9	Very high	98	Very high	35 Å²	35	38 Å²	38	25%	0.245	19%	0.188	C	C	.	.			trans	-90.4	-159.3	175.7	-163.1	0	0	0	0	111.2	L342 L343	S292-L342 WeakPolarHBondContact O-CD2 3.44Å; S292-L343 VanDerWaalsContact CB-O 3.3Å; S292-L343 WeakPolarHBondContact CB-O 3.41Å; S292-L343 PolarHBondContact N-O 3.24Å
293	I	96.8	Very high	98	Very high	52 Å²	52	41.7 Å²	41.7	27%	0.267	20%	0.2	S	C	.	.			trans	-65.4	157.1	-179.4	64.5	175.3	0	0	0	112.3	E297 L298 L343	I293-E297 HydrophobicContact CB-CB 4.21Å; I293-L298 HydrophobicContact CD1-CB 4.13Å; I293-L298 HydrophobicContact CD1-CD1 4.05Å; I293-L343 HydrophobicContact CG1-CD1 4.13Å; I293-L343 PolarHBondContact O-N 3.29Å
294	D	97.9	Very high	98	Very high	30 Å²	30	45.1 Å²	45.1	16%	0.16	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-77.5	167.4	170.9	60.6	84.3	0	0	0	112.5	Y296 E297 L298 E339 I341 L342	D294-Y296 VanDerWaalsContact C-N 3.29Å; D294-Y296 PolarHBondContact O-N 2.95Å; D294-Y296 WeakPolarHBondContact OD1-CA 3.28Å; D294-Y296 VanDerWaalsContact OD1-CB 3.26Å; D294-Y296 WeakPolarHBondContact OD1-CB 3.49Å; D294-Y296 PolarHBondContact OD1-N 2.97Å; D294-E297 PolarHBondContact O-N 2.73Å; D294-E297 PolarHBondContact OD1-N 3.45Å; D294-E297 WeakPolarHBondContact OD2-CG 3.39Å; D294-L298 PolarHBondContact O-N 3Å; D294-E339 WeakPolarHBondContact CB-O 3.34Å; D294-I341 CarbonylContact C-O 3.51Å; D294-I341 WeakPolarHBondContact CA-O 3.29Å; D294-L342 HydrophobicContact CB-CD2 3.59Å
295	L	98.5	Very high	97.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-69.7	-25.8	-177.8	-67.8	-172.4	0	0	0	112.7	L298 I299 F315 I319 P338 I341 L343 T351 L402	L295-L298 HydrophobicContact CD2-CD2 4.01Å; L295-L298 WeakPolarHBondContact O-CB 3.42Å; L295-L298 PolarHBondContact O-N 3.46Å; L295-I299 VanDerWaalsContact O-CG1 3.25Å; L295-I299 WeakPolarHBondContact O-CG1 3.32Å; L295-I299 PolarHBondContact O-N 3.12Å; L295-F315 HydrophobicContact CD2-CD1 4.15Å; L295-F315 HydrophobicContact CD2-CE1 3.81Å; L295-F315 HydrophobicContact CD2-CE2 4.5Å; L295-F315 HydrophobicContact CD2-CZ 4Å; L295-I319 HydrophobicContact CD1-CD1 4.43Å; L295-P338 HydrophobicContact CB-CB 4.05Å; L295-P338 PolarHBondContact N-O 3.04Å; L295-P338 VanDerWaalsContact N-O 3.15Å; L295-I341 HydrophobicContact CD1-CB 3.84Å; L295-I341 HydrophobicContact CD1-CD1 4.25Å; L295-I341 HydrophobicContact CD1-CG2 3.52Å; L295-I341 HydrophobicContact CG-CB 4.01Å; L295-I341 HydrophobicContact CG-CG2 3.86Å; L295-I341 WeakPolarHBondContact CG-O 3.38Å; L295-I341 PolarHBondContact N-O 3.37Å; L295-L343 HydrophobicContact CD2-CD2 3.87Å; L295-L343 HydrophobicContact CD2-CG 4.41Å; L295-T351 HydrophobicContact CD2-CG2 4.35Å; L295-L402 HydrophobicContact CB-CD2 4.25Å; L295-L402 HydrophobicContact CD1-CD1 4.13Å; L295-L402 HydrophobicContact CD1-CD2 4.14Å
296	Y	97.9	Very high	97.9	Very high	24 Å²	24	52 Å²	52	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-68.2	-48.4	174.8	177.1	-103.1	0	0	0	110.7	Y32 D294 L298 I299 K300 F304 E339	Y32-Y296 WeakPolarHBondContact CB-OH 3.47Å; Y32-Y296 AromaticContact CD1-CE2 3.77Å; Y32-Y296 HydrophobicContact CD1-CE2 3.77Å; Y32-Y296 AromaticContact CD1-CZ 3.84Å; Y32-Y296 HydrophobicContact CD2-CE2 4.43Å; Y32-Y296 WeakPolarHBondContact CD2-OH 3.17Å; Y32-Y296 AromaticContact CE1-CE2 3.67Å; Y32-Y296 HydrophobicContact CE1-CE2 3.67Å; Y32-Y296 HydrophobicContact CE2-CE2 4.33Å; Y32-Y296 HydrophobicContact CG-CE2 4.16Å; Y32-Y296 AromaticContact CG-CZ 3.8Å; Y32-Y296 AromaticContact CZ-CE2 3.96Å; D294-Y296 VanDerWaalsContact C-N 3.29Å; D294-Y296 PolarHBondContact O-N 2.95Å; D294-Y296 WeakPolarHBondContact OD1-CA 3.28Å; D294-Y296 VanDerWaalsContact OD1-CB 3.26Å; D294-Y296 WeakPolarHBondContact OD1-CB 3.49Å; D294-Y296 PolarHBondContact OD1-N 2.97Å; Y296-L298 PolarHBondContact O-N 2.82Å; Y296-I299 WeakPolarHBondContact O-CB 3.48Å; Y296-I299 PolarHBondContact O-N 3.5Å; Y296-I299 VanDerWaalsContact O-N 3.07Å; Y296-K300 PolarHBondContact O-N 2.91Å; Y296-F304 HydrophobicContact CE2-CE1 4.32Å; Y296-E339 HydrophobicContact CG-CG 4.34Å
297	E	97.7	Very high	97.9	Very high	77 Å²	77	53.1 Å²	53.1	36%	0.36	25%	0.254	S	S	.	.	H	α-helix	trans	-60.9	-32.1	173.9	-72.8	-59.3	138.4	0	0	111.9	I293 D294 K300 K301	I293-E297 HydrophobicContact CB-CB 4.21Å; D294-E297 PolarHBondContact O-N 2.73Å; D294-E297 PolarHBondContact OD1-N 3.45Å; D294-E297 WeakPolarHBondContact OD2-CG 3.39Å; E297-K300 PolarHBondContact O-N 2.95Å; E297-K301 VanDerWaalsContact O-CB 3.29Å; E297-K301 WeakPolarHBondContact O-CB 3.39Å; E297-K301 PolarHBondContact O-N 3.36Å
298	L	98.2	Very high	97.9	Very high	29 Å²	29	56.2 Å²	56.2	15%	0.152	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-44.6	171.8	-171.6	69.1	0	0	0	112.4	I293 D294 L295 Y296 K300 K301 N302 F307 F315 L343	I293-L298 HydrophobicContact CD1-CB 4.13Å; I293-L298 HydrophobicContact CD1-CD1 4.05Å; D294-L298 PolarHBondContact O-N 3Å; L295-L298 HydrophobicContact CD2-CD2 4.01Å; L295-L298 WeakPolarHBondContact O-CB 3.42Å; L295-L298 PolarHBondContact O-N 3.46Å; Y296-L298 PolarHBondContact O-N 2.82Å; L298-K300 VanDerWaalsContact C-N 3.32Å; L298-K300 PolarHBondContact O-N 2.77Å; L298-K301 PolarHBondContact O-N 2.98Å; L298-N302 WeakPolarHBondContact O-CB 3.13Å; L298-N302 PolarHBondContact O-N 2.88Å; L298-F307 HydrophobicContact CB-CZ 4.43Å; L298-F307 HydrophobicContact CD2-CE2 4.29Å; L298-F307 HydrophobicContact CD2-CZ 3.92Å; L298-F307 HydrophobicContact CG-CE1 4.33Å; L298-F307 HydrophobicContact CG-CE2 4.42Å; L298-F307 HydrophobicContact CG-CZ 3.69Å; L298-F315 HydrophobicContact CD2-CE2 4.24Å; L298-F315 HydrophobicContact CD2-CZ 3.68Å; L298-L343 HydrophobicContact CD1-CD1 4.21Å; L298-L343 HydrophobicContact CD2-CD1 4.15Å; L298-L343 HydrophobicContact CD2-CD2 4.47Å
299	I	98.4	Very high	97.9	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-59	-45.6	174.9	-68.6	160.2	0	0	0	110.1	L295 Y296 N302 K303 F304 F307 E401 L402	L295-I299 VanDerWaalsContact O-CG1 3.25Å; L295-I299 WeakPolarHBondContact O-CG1 3.32Å; L295-I299 PolarHBondContact O-N 3.12Å; Y296-I299 WeakPolarHBondContact O-CB 3.48Å; Y296-I299 PolarHBondContact O-N 3.5Å; Y296-I299 VanDerWaalsContact O-N 3.07Å; I299-N302 CarbonylContact O-C 3.56Å; I299-N302 VanDerWaalsContact O-C 3.29Å; I299-N302 WeakPolarHBondContact O-CA 3.46Å; I299-N302 PolarHBondContact O-N 3.18Å; I299-N302 VanDerWaalsContact O-N 3.15Å; I299-K303 PolarHBondContact O-N 3.16Å; I299-F304 HydrophobicContact CG2-CD1 3.6Å; I299-F304 HydrophobicContact CG2-CE1 4.14Å; I299-F304 HydrophobicContact CG2-CG 4.39Å; I299-F304 PolarHBondContact O-N 3.41Å; I299-F307 HydrophobicContact CG1-CE2 3.7Å; I299-F307 HydrophobicContact CG1-CZ 4.31Å; I299-E401 HydrophobicContact CD1-CG 4.01Å; I299-L402 HydrophobicContact CD1-CD2 3.99Å; I299-L402 HydrophobicContact CG1-CD2 4.1Å
300	K	98.1	Very high	97.9	Very high	103 Å²	103	59.9 Å²	59.9	45%	0.448	30%	0.295	S	S	.	.	H	α-helix	trans	-63.5	-43.3	178.2	-175.1	178.8	178.9	-177.1	0	112	Y296 E297 L298 N302 K303 F304	Y296-K300 PolarHBondContact O-N 2.91Å; E297-K300 PolarHBondContact O-N 2.95Å; L298-K300 VanDerWaalsContact C-N 3.32Å; L298-K300 PolarHBondContact O-N 2.77Å; K300-N302 PolarHBondContact O-N 3.34Å; K300-K303 WeakPolarHBondContact O-CA 3.38Å; K300-K303 PolarHBondContact O-N 3.39Å; K300-F304 HydrophobicContact CB-CE1 4.43Å; K300-F304 HydrophobicContact CB-CE2 4.41Å; K300-F304 HydrophobicContact CB-CZ 3.97Å; K300-F304 HydrophobicContact CG-CE2 4.11Å; K300-F304 HydrophobicContact CG-CZ 3.92Å
301	K	97.3	Very high	97.9	Very high	136 Å²	136	59.8 Å²	59.8	59%	0.591	29%	0.294	S	S	*	.	H	α-helix	trans	-60.6	-32.9	174	-173.9	174.2	-179	175.6	0	111.8	E297 L298 K303 H346	E297-K301 VanDerWaalsContact O-CB 3.29Å; E297-K301 WeakPolarHBondContact O-CB 3.39Å; E297-K301 PolarHBondContact O-N 3.36Å; L298-K301 PolarHBondContact O-N 2.98Å; K301-K303 PolarHBondContact O-N 3.45Å; K301-H346 PolarHBondContact NZ-CE1 3.21Å; K301-H346 VanDerWaalsContact NZ-CE1 3.31Å; K301-H346 PolarHBondContact NZ-NE2 3.01Å
302	N	97.4	Very high	98	Very high	53 Å²	53	58.4 Å²	58.4	28%	0.283	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	18.5	171.8	-164.5	53.2	0	0	0	113.4	L298 I299 K300 F304 Q305 G306 F307	L298-N302 WeakPolarHBondContact O-CB 3.13Å; L298-N302 PolarHBondContact O-N 2.88Å; I299-N302 CarbonylContact O-C 3.56Å; I299-N302 VanDerWaalsContact O-C 3.29Å; I299-N302 WeakPolarHBondContact O-CA 3.46Å; I299-N302 PolarHBondContact O-N 3.18Å; I299-N302 VanDerWaalsContact O-N 3.15Å; K300-N302 PolarHBondContact O-N 3.34Å; N302-F304 PolarHBondContact O-N 3.02Å; N302-Q305 WeakPolarHBondContact O-CB 3.43Å; N302-Q305 WeakPolarHBondContact O-CG 3.27Å; N302-Q305 PolarHBondContact O-N 3.41Å; N302-G306 PolarHBondContact ND2-O 2.96Å; N302-F307 HydrophobicContact CB-CE1 3.66Å; N302-F307 HydrophobicContact CB-CZ 3.97Å
303	K	98.3	Very high	98.1	Very high	163 Å²	163	58.3 Å²	58.3	71%	0.709	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	33.9	175.6	-54.6	-175.5	-179.3	-173.2	0	113.8	I299 K300 K301 Q305	I299-K303 PolarHBondContact O-N 3.16Å; K300-K303 WeakPolarHBondContact O-CA 3.38Å; K300-K303 PolarHBondContact O-N 3.39Å; K301-K303 PolarHBondContact O-N 3.45Å; K303-Q305 HydrophobicContact CB-CG 4.34Å; K303-Q305 PolarHBondContact O-N 2.8Å; K303-Q305 VanDerWaalsContact O-N 3.11Å
304	F	98.1	Very high	98.1	Very high	73 Å²	73	60.7 Å²	60.7	32%	0.32	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	24.8	-179	-52	-84.8	0	0	0	114.2	Y296 I299 K300 N302 G306 G405	Y296-F304 HydrophobicContact CE2-CE1 4.32Å; I299-F304 HydrophobicContact CG2-CD1 3.6Å; I299-F304 HydrophobicContact CG2-CE1 4.14Å; I299-F304 HydrophobicContact CG2-CG 4.39Å; I299-F304 PolarHBondContact O-N 3.41Å; K300-F304 HydrophobicContact CB-CE1 4.43Å; K300-F304 HydrophobicContact CB-CE2 4.41Å; K300-F304 HydrophobicContact CB-CZ 3.97Å; K300-F304 HydrophobicContact CG-CE2 4.11Å; K300-F304 HydrophobicContact CG-CZ 3.92Å; N302-F304 PolarHBondContact O-N 3.02Å; F304-G306 PolarHBondContact O-N 2.73Å; F304-G405 WeakPolarHBondContact CD1-O 3.44Å
305	Q	98.3	Very high	98.2	Very high	149 Å²	149	59.4 Å²	59.4	70%	0.696	28%	0.282	S	S	*	.			trans	-77.2	-9.9	179	-63.9	-173.7	-77.3	0	0	113.1	N302 K303	N302-Q305 WeakPolarHBondContact O-CB 3.43Å; N302-Q305 WeakPolarHBondContact O-CG 3.27Å; N302-Q305 PolarHBondContact O-N 3.41Å; K303-Q305 HydrophobicContact CB-CG 4.34Å; K303-Q305 PolarHBondContact O-N 2.8Å; K303-Q305 VanDerWaalsContact O-N 3.11Å
306	G	98.3	Very high	98.2	Very high	12 Å²	12	59.4 Å²	59.4	12%	0.124	28%	0.282	C	S	.	.			trans	78.9	163.6	-173.2	0	0	0	0	0	113	N302 F304 L403	N302-G306 PolarHBondContact ND2-O 2.96Å; F304-G306 PolarHBondContact O-N 2.73Å; G306-L403 WeakPolarHBondContact CA-O 3.19Å
307	F	98.6	Very high	98.2	Very high	23 Å²	23	61.1 Å²	61.1	10%	0.101	29%	0.291	C	S	.	.			trans	-106.4	157.5	178.8	-61.7	-60.3	0	0	0	111.6	L298 I299 N302 L311 V312 F315 L402 L403	L298-F307 HydrophobicContact CB-CZ 4.43Å; L298-F307 HydrophobicContact CD2-CE2 4.29Å; L298-F307 HydrophobicContact CD2-CZ 3.92Å; L298-F307 HydrophobicContact CG-CE1 4.33Å; L298-F307 HydrophobicContact CG-CE2 4.42Å; L298-F307 HydrophobicContact CG-CZ 3.69Å; I299-F307 HydrophobicContact CG1-CE2 3.7Å; I299-F307 HydrophobicContact CG1-CZ 4.31Å; N302-F307 HydrophobicContact CB-CE1 3.66Å; N302-F307 HydrophobicContact CB-CZ 3.97Å; F307-L311 HydrophobicContact CB-CB 4.45Å; F307-L311 HydrophobicContact CB-CD2 4.11Å; F307-L311 HydrophobicContact CB-CG 4.45Å; F307-L311 HydrophobicContact CD1-CD2 3.84Å; F307-L311 HydrophobicContact CG-CD2 4.05Å; F307-V312 HydrophobicContact CB-CG2 4.08Å; F307-F315 HydrophobicContact CD2-CE2 4.44Å; F307-L402 WeakPolarHBondContact CB-O 3.47Å; F307-L402 HydrophobicContact CD2-CB 4.21Å; F307-L402 HydrophobicContact CD2-CD2 3.94Å; F307-L402 WeakPolarHBondContact CD2-O 3.37Å; F307-L402 HydrophobicContact CE2-CD2 3.86Å; F307-L402 PolarHBondContact N-O 2.83Å; F307-L403 PolarHBondContact N-O 2.85Å; F307-L403 WeakPolarHBondContact O-CD1 3.33Å
308	S	98.4	Very high	98.2	Very high	67 Å²	67	58 Å²	58	47%	0.469	28%	0.278	S	S	.	.			trans	-60.6	143.5	172.1	68.7	0	0	0	0	111.1	Q310 L311 V312	S308-Q310 PolarHBondContact O-N 2.91Å; S308-Q310 VanDerWaalsContact O-N 3.07Å; S308-L311 PolarHBondContact O-N 2.88Å; S308-L311 PolarHBondContact OG-N 3.44Å; S308-V312 WeakPolarHBondContact O-CG2 3.37Å; S308-V312 PolarHBondContact O-N 3.41Å
309	V	98.1	Very high	98.2	Very high	24 Å²	24	56.6 Å²	56.6	15%	0.145	27%	0.27	C	S	.	.	H	α-helix	trans	-56	-29.9	-180	66.3	0	0	0	0	112.4	V312 R313 L403 D492 F495 W521	V309-V312 PolarHBondContact O-N 2.78Å; V309-R313 WeakPolarHBondContact O-CB 3.38Å; V309-R313 PolarHBondContact O-N 3.06Å; V309-L403 HydrophobicContact CB-CD1 4.33Å; V309-D492 HydrophobicContact CG2-CB 4.42Å; V309-F495 HydrophobicContact CG2-CB 4.16Å; V309-F495 HydrophobicContact CG2-CG 4.2Å; V309-W521 HydrophobicContact CG2-CZ2 4.25Å
310	Q	97.8	Very high	98.3	Very high	119 Å²	119	56.5 Å²	56.5	56%	0.556	27%	0.27	S	S	*	.	H	α-helix	trans	-66.7	-41.7	175.4	-60	85.1	-17.9	0	0	111.7	S308 R313 K314	S308-Q310 PolarHBondContact O-N 2.91Å; S308-Q310 VanDerWaalsContact O-N 3.07Å; Q310-R313 WeakPolarHBondContact O-CB 3.41Å; Q310-R313 PolarHBondContact O-N 3.48Å; Q310-K314 PolarHBondContact O-N 3.11Å
311	L	98.3	Very high	98.3	Very high	55 Å²	55	55 Å²	55	29%	0.288	27%	0.265	S	S	.	.	H	α-helix	trans	-70.7	-41.5	175.3	179.8	57.5	0	0	0	111.1	F307 S308 R313 K314 F315	F307-L311 HydrophobicContact CB-CB 4.45Å; F307-L311 HydrophobicContact CB-CD2 4.11Å; F307-L311 HydrophobicContact CB-CG 4.45Å; F307-L311 HydrophobicContact CD1-CD2 3.84Å; F307-L311 HydrophobicContact CG-CD2 4.05Å; S308-L311 PolarHBondContact O-N 2.88Å; S308-L311 PolarHBondContact OG-N 3.44Å; L311-R313 PolarHBondContact O-N 3.03Å; L311-K314 WeakPolarHBondContact O-CB 3.3Å; L311-K314 PolarHBondContact O-N 3.5Å; L311-F315 HydrophobicContact CD1-CD2 4.43Å; L311-F315 HydrophobicContact CD1-CE2 3.88Å; L311-F315 HydrophobicContact CD1-CZ 4Å; L311-F315 HydrophobicContact CD2-CE2 4.07Å; L311-F315 HydrophobicContact CD2-CZ 4.49Å; L311-F315 HydrophobicContact CG-CD2 4.16Å; L311-F315 HydrophobicContact CG-CE2 3.62Å; L311-F315 HydrophobicContact CG-CZ 4.19Å; L311-F315 WeakPolarHBondContact O-CD2 3.37Å; L311-F315 PolarHBondContact O-N 3.04Å
312	V	98.8	Very high	98.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-55.4	-41	172.7	179.7	0	0	0	0	110.7	F307 S308 V309 K314 F315 A316 L399 L402 L403 F495 W521	F307-V312 HydrophobicContact CB-CG2 4.08Å; S308-V312 WeakPolarHBondContact O-CG2 3.37Å; S308-V312 PolarHBondContact O-N 3.41Å; V309-V312 PolarHBondContact O-N 2.78Å; V312-K314 PolarHBondContact O-N 2.87Å; V312-F315 PolarHBondContact O-N 3.1Å; V312-A316 WeakPolarHBondContact O-CB 3.34Å; V312-A316 PolarHBondContact O-N 2.54Å; V312-L399 HydrophobicContact CG1-CB 4.18Å; V312-L399 HydrophobicContact CG1-CD2 3.94Å; V312-L402 HydrophobicContact CG1-CB 4.37Å; V312-L402 HydrophobicContact CG2-CB 4.02Å; V312-L403 HydrophobicContact CG2-CB 4.19Å; V312-F495 HydrophobicContact CG1-CE2 4.27Å; V312-W521 HydrophobicContact CG1-CH2 4.17Å; V312-W521 HydrophobicContact CG1-CZ2 4.4Å
313	R	98.5	Very high	98.4	Very high	33 Å²	33	46.3 Å²	46.3	13%	0.125	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-37.5	174.7	-168	-174.9	-58.8	-159.6	5.5	113.1	V309 Q310 L311 A316 Q317 D492 W521 I522 K524	V309-R313 WeakPolarHBondContact O-CB 3.38Å; V309-R313 PolarHBondContact O-N 3.06Å; Q310-R313 WeakPolarHBondContact O-CB 3.41Å; Q310-R313 PolarHBondContact O-N 3.48Å; L311-R313 PolarHBondContact O-N 3.03Å; R313-A316 WeakPolarHBondContact O-CB 3.28Å; R313-A316 PolarHBondContact O-N 3.23Å; R313-Q317 WeakPolarHBondContact O-CG 3.42Å; R313-Q317 PolarHBondContact O-N 3.27Å; R313-D492 IonicContact NH2-OD2 2.66Å; R313-W521 HydrophobicContact CB-CH2 4.28Å; R313-W521 HydrophobicContact CB-CZ2 3.81Å; R313-W521 WeakPolarHBondContact CD-O 3.47Å; R313-W521 HydrophobicContact CG-CZ2 4.23Å; R313-W521 PolarHBondContact NE-O 2.88Å; R313-W521 VanDerWaalsContact NE-O 3.07Å; R313-W521 PolarHBondContact NH1-O 2.73Å; R313-I522 HydrophobicContact CG-CD1 4.28Å; R313-K524 VanDerWaalsContact NH1-CE 3.34Å
314	K	98.2	Very high	98.4	Very high	103 Å²	103	39.2 Å²	39.2	45%	0.448	19%	0.194	S	C	.	.	H	α-helix	trans	-65.9	-41.8	175.2	-63.9	-62.5	-66.1	175.5	0	111.5	Q310 L311 V312 S318	Q310-K314 PolarHBondContact O-N 3.11Å; L311-K314 WeakPolarHBondContact O-CB 3.3Å; L311-K314 PolarHBondContact O-N 3.5Å; V312-K314 PolarHBondContact O-N 2.87Å; K314-S318 PolarHBondContact O-N 3.17Å
315	F	98.6	Very high	98.4	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.013	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-45.1	172.9	-66.9	-49.2	0	0	0	111.3	L295 L298 F307 L311 V312 Q317 S318 I319 L343 S349 T351 L402	L295-F315 HydrophobicContact CD2-CD1 4.15Å; L295-F315 HydrophobicContact CD2-CE1 3.81Å; L295-F315 HydrophobicContact CD2-CE2 4.5Å; L295-F315 HydrophobicContact CD2-CZ 4Å; L298-F315 HydrophobicContact CD2-CE2 4.24Å; L298-F315 HydrophobicContact CD2-CZ 3.68Å; F307-F315 HydrophobicContact CD2-CE2 4.44Å; L311-F315 HydrophobicContact CD1-CD2 4.43Å; L311-F315 HydrophobicContact CD1-CE2 3.88Å; L311-F315 HydrophobicContact CD1-CZ 4Å; L311-F315 HydrophobicContact CD2-CE2 4.07Å; L311-F315 HydrophobicContact CD2-CZ 4.49Å; L311-F315 HydrophobicContact CG-CD2 4.16Å; L311-F315 HydrophobicContact CG-CE2 3.62Å; L311-F315 HydrophobicContact CG-CZ 4.19Å; L311-F315 WeakPolarHBondContact O-CD2 3.37Å; L311-F315 PolarHBondContact O-N 3.04Å; V312-F315 PolarHBondContact O-N 3.1Å; F315-Q317 PolarHBondContact O-N 3.05Å; F315-S318 PolarHBondContact O-N 2.85Å; F315-S318 VanDerWaalsContact O-N 3.08Å; F315-I319 HydrophobicContact CB-CD1 4.3Å; F315-I319 WeakPolarHBondContact O-CD1 3.26Å; F315-I319 VanDerWaalsContact O-CG1 3.27Å; F315-I319 WeakPolarHBondContact O-CG1 3.34Å; F315-I319 PolarHBondContact O-N 2.97Å; F315-L343 HydrophobicContact CE1-CD2 3.67Å; F315-L343 HydrophobicContact CZ-CD2 4.26Å; F315-S349 WeakPolarHBondContact CD1-O 3.45Å; F315-T351 HydrophobicContact CD1-CG2 3.74Å; F315-T351 HydrophobicContact CE1-CG2 4.12Å; F315-L402 HydrophobicContact CB-CD1 4.11Å; F315-L402 HydrophobicContact CD2-CD1 4.11Å; F315-L402 HydrophobicContact CD2-CD2 4.45Å; F315-L402 HydrophobicContact CG-CD1 4.4Å
316	A	98.8	Very high	98.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-55	-48.7	177.5	0	0	0	0	0	112.1	V312 R313 S318 I319 L320 F395 L399 W521 I522	V312-A316 WeakPolarHBondContact O-CB 3.34Å; V312-A316 PolarHBondContact O-N 2.54Å; R313-A316 WeakPolarHBondContact O-CB 3.28Å; R313-A316 PolarHBondContact O-N 3.23Å; A316-S318 VanDerWaalsContact C-N 3.33Å; A316-S318 PolarHBondContact O-N 3.2Å; A316-I319 PolarHBondContact O-N 3.44Å; A316-L320 VanDerWaalsContact O-CB 3.29Å; A316-L320 WeakPolarHBondContact O-CB 3.38Å; A316-L320 WeakPolarHBondContact O-CG 3.41Å; A316-L320 PolarHBondContact O-N 2.85Å; A316-F395 HydrophobicContact CB-CE2 4.25Å; A316-F395 HydrophobicContact CB-CZ 3.88Å; A316-L399 HydrophobicContact CB-CD1 3.99Å; A316-L399 HydrophobicContact CB-CD2 3.78Å; A316-W521 HydrophobicContact CB-CH2 3.75Å; A316-W521 HydrophobicContact CB-CZ3 3.68Å; A316-I522 HydrophobicContact CB-CD1 3.67Å
317	Q	98.3	Very high	98.5	Very high	60 Å²	60	31.7 Å²	31.7	28%	0.28	16%	0.158	S	C	.	.	H	α-helix	trans	-56.6	-45.3	175.3	-75.5	171.7	-19.7	0	0	112.4	R313 F315 Q321 I522	R313-Q317 WeakPolarHBondContact O-CG 3.42Å; R313-Q317 PolarHBondContact O-N 3.27Å; F315-Q317 PolarHBondContact O-N 3.05Å; Q317-Q321 WeakPolarHBondContact O-CG 3.33Å; Q317-Q321 PolarHBondContact O-N 3.38Å; Q317-I522 HydrophobicContact CG-CD1 4.39Å; Q317-I522 HydrophobicContact CG-CG2 3.84Å; Q317-I522 PolarHBondContact NE2-O 2.95Å
318	S	98.1	Very high	98.4	Very high	10 Å²	10	37.5 Å²	37.5	7%	0.07	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-44.8	-177.5	-169.5	0	0	0	0	112.2	N270 K314 F315 A316 Q321 T351	N270-S318 PolarHBondContact ND2-O 2.77Å; N270-S318 PolarHBondContact ND2-OG 3.24Å; K314-S318 PolarHBondContact O-N 3.17Å; F315-S318 PolarHBondContact O-N 2.85Å; F315-S318 VanDerWaalsContact O-N 3.08Å; A316-S318 VanDerWaalsContact C-N 3.33Å; A316-S318 PolarHBondContact O-N 3.2Å; S318-Q321 PolarHBondContact O-N 3.26Å; S318-T351 VanDerWaalsContact CB-OG1 3.28Å; S318-T351 WeakPolarHBondContact CB-OG1 3.37Å; S318-T351 PolarHBondContact OG-N 3.46Å; S318-T351 PolarHBondContact OG-O 3.23Å; S318-T351 PolarHBondContact OG-OG1 3.46Å
319	I	98.8	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68	-38.6	179.3	-61.6	158.6	0	0	0	110.9	L295 F315 A316 Q321 S322 L323 L336 I341 F395	L295-I319 HydrophobicContact CD1-CD1 4.43Å; F315-I319 HydrophobicContact CB-CD1 4.3Å; F315-I319 WeakPolarHBondContact O-CD1 3.26Å; F315-I319 VanDerWaalsContact O-CG1 3.27Å; F315-I319 WeakPolarHBondContact O-CG1 3.34Å; F315-I319 PolarHBondContact O-N 2.97Å; A316-I319 PolarHBondContact O-N 3.44Å; I319-Q321 VanDerWaalsContact C-N 3.25Å; I319-Q321 PolarHBondContact O-N 3.17Å; I319-S322 WeakPolarHBondContact O-CB 3.29Å; I319-S322 PolarHBondContact O-N 3.24Å; I319-L323 HydrophobicContact CG2-CD1 4.18Å; I319-L323 HydrophobicContact CG2-CG 4.26Å; I319-L323 PolarHBondContact O-N 2.76Å; I319-L336 HydrophobicContact CG2-CD2 4.48Å; I319-I341 HydrophobicContact CD1-CD1 3.8Å; I319-I341 HydrophobicContact CD1-CG2 4.43Å; I319-I341 HydrophobicContact CG1-CD1 4.1Å; I319-I341 HydrophobicContact CG1-CG2 4.14Å; I319-F395 HydrophobicContact CB-CD2 4.27Å; I319-F395 HydrophobicContact CB-CE2 4Å; I319-F395 HydrophobicContact CD1-CE2 4.34Å; I319-F395 HydrophobicContact CG2-CD2 3.72Å; I319-F395 HydrophobicContact CG2-CE2 3.96Å
320	L	98.8	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-28.3	177.6	-78.2	170	0	0	0	113.2	A316 S322 L323 D324 F395 F498 P513 A516 L517 I522	A316-L320 VanDerWaalsContact O-CB 3.29Å; A316-L320 WeakPolarHBondContact O-CB 3.38Å; A316-L320 WeakPolarHBondContact O-CG 3.41Å; A316-L320 PolarHBondContact O-N 2.85Å; L320-S322 VanDerWaalsContact C-N 3.3Å; L320-S322 PolarHBondContact O-N 3.31Å; L320-L323 PolarHBondContact O-N 3.32Å; L320-D324 VanDerWaalsContact O-CB 3.22Å; L320-D324 WeakPolarHBondContact O-CB 3.41Å; L320-D324 PolarHBondContact O-N 3.43Å; L320-F395 HydrophobicContact CD1-CE1 4.36Å; L320-F395 HydrophobicContact CD1-CZ 3.99Å; L320-F395 HydrophobicContact CD2-CD1 4.49Å; L320-F395 HydrophobicContact CD2-CE1 3.89Å; L320-F395 HydrophobicContact CD2-CZ 3.97Å; L320-F395 HydrophobicContact CG-CE1 4.08Å; L320-F395 HydrophobicContact CG-CE2 4.28Å; L320-F395 HydrophobicContact CG-CZ 3.65Å; L320-F498 HydrophobicContact CD1-CZ 4.26Å; L320-P513 HydrophobicContact CD2-CB 4.31Å; L320-A516 HydrophobicContact CD1-CB 3.91Å; L320-A516 HydrophobicContact CD2-CB 3.62Å; L320-A516 HydrophobicContact CG-CB 4.44Å; L320-L517 HydrophobicContact CB-CD2 3.66Å; L320-L517 HydrophobicContact CB-CG 3.93Å; L320-L517 HydrophobicContact CD1-CD2 4.11Å; L320-L517 HydrophobicContact CD1-CG 4.29Å; L320-I522 HydrophobicContact CD1-CD1 4.17Å; L320-I522 HydrophobicContact CD1-CG1 4.17Å
321	Q	98.3	Very high	98.5	Very high	73 Å²	73	35.5 Å²	35.5	34%	0.341	16%	0.164	S	C	.	.	H	α-helix	trans	-61.3	-42	171.6	-64.2	-55.9	-46.7	0	0	111.3	N270 Q317 S318 I319 A325	N270-Q321 HydrophobicContact CB-CB 4.45Å; Q317-Q321 WeakPolarHBondContact O-CG 3.33Å; Q317-Q321 PolarHBondContact O-N 3.38Å; S318-Q321 PolarHBondContact O-N 3.26Å; I319-Q321 VanDerWaalsContact C-N 3.25Å; I319-Q321 PolarHBondContact O-N 3.17Å; Q321-A325 WeakPolarHBondContact O-CB 3.22Å; Q321-A325 PolarHBondContact O-N 3.16Å; Q321-A325 VanDerWaalsContact O-N 3.14Å
322	S	98.6	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.1	-51.2	174.9	-42.6	0	0	0	0	110.8	M269 N270 I319 L320 D324 A325 L326 V353	M269-S322 WeakPolarHBondContact O-CA 3.49Å; M269-S322 PolarHBondContact O-N 2.77Å; M269-S322 PolarHBondContact O-OG 3.26Å; N270-S322 WeakPolarHBondContact CB-OG 3.43Å; N270-S322 PolarHBondContact O-OG 2.8Å; I319-S322 WeakPolarHBondContact O-CB 3.29Å; I319-S322 PolarHBondContact O-N 3.24Å; L320-S322 VanDerWaalsContact C-N 3.3Å; L320-S322 PolarHBondContact O-N 3.31Å; S322-D324 VanDerWaalsContact C-N 3.34Å; S322-D324 PolarHBondContact O-N 2.95Å; S322-A325 VanDerWaalsContact O-CB 3.28Å; S322-A325 WeakPolarHBondContact O-CB 3.39Å; S322-A325 PolarHBondContact O-N 3.24Å; S322-L326 WeakPolarHBondContact O-CG 3.3Å; S322-L326 PolarHBondContact O-N 3.25Å; S322-V353 WeakPolarHBondContact OG-CG2 3.01Å
323	L	98.8	Very high	98.5	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-64.2	-36.8	-177.4	-62	-177.2	0	0	0	112.9	I319 L320 L326 H327 L336 D391 I392 F395 P513	I319-L323 HydrophobicContact CG2-CD1 4.18Å; I319-L323 HydrophobicContact CG2-CG 4.26Å; I319-L323 PolarHBondContact O-N 2.76Å; L320-L323 PolarHBondContact O-N 3.32Å; L323-L326 HydrophobicContact CD2-CD1 4.44Å; L323-L326 PolarHBondContact O-N 3.03Å; L323-H327 VanDerWaalsContact O-CB 3.25Å; L323-H327 WeakPolarHBondContact O-CB 3.37Å; L323-H327 PolarHBondContact O-N 2.78Å; L323-L336 HydrophobicContact CD1-CD2 4.22Å; L323-L336 HydrophobicContact CD2-CD2 4.09Å; L323-D391 HydrophobicContact CD2-CB 4.06Å; L323-I392 HydrophobicContact CD1-CD1 4.31Å; L323-F395 HydrophobicContact CD1-CB 3.93Å; L323-F395 HydrophobicContact CD1-CD2 4.29Å; L323-F395 HydrophobicContact CD1-CG 4.07Å; L323-P513 HydrophobicContact CB-CB 4.06Å; L323-P513 HydrophobicContact CB-CG 3.81Å
324	D	98.6	Very high	98.5	Very high	14 Å²	14	31.3 Å²	31.3	8%	0.075	15%	0.145	C	C	.	.	H	α-helix	trans	-65.8	-40.1	175.4	-173	59.2	0	0	0	111.7	L320 S322 H327 K328 P513 L517	L320-D324 VanDerWaalsContact O-CB 3.22Å; L320-D324 WeakPolarHBondContact O-CB 3.41Å; L320-D324 PolarHBondContact O-N 3.43Å; S322-D324 VanDerWaalsContact C-N 3.34Å; S322-D324 PolarHBondContact O-N 2.95Å; D324-H327 PolarHBondContact O-N 3.36Å; D324-K328 WeakPolarHBondContact O-CB 3.43Å; D324-K328 VanDerWaalsContact O-CG 3.3Å; D324-K328 WeakPolarHBondContact O-CG 3.45Å; D324-K328 PolarHBondContact O-N 3.47Å; D324-K328 WeakPolarHBondContact OD2-CE 3.48Å; D324-K328 IonicContact OD2-NZ 2.73Å; D324-K328 PolarHBondContact OD2-NZ 3.1Å; D324-P513 HydrophobicContact CB-CB 3.79Å; D324-L517 HydrophobicContact CB-CD1 4.07Å
325	A	98.4	Very high	98.5	Very high	8 Å²	8	26.9 Å²	26.9	7%	0.066	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-46.9	170.9	0	0	0	0	0	112.7	M269 Q321 S322 N329	M269-A325 HydrophobicContact CB-CB 4.01Å; M269-A325 HydrophobicContact CE-CB 3.29Å; M269-A325 HydrophobicContact CG-CB 3.92Å; M269-A325 HydrophobicContact SD-CB 4.39Å; Q321-A325 WeakPolarHBondContact O-CB 3.22Å; Q321-A325 PolarHBondContact O-N 3.16Å; Q321-A325 VanDerWaalsContact O-N 3.14Å; S322-A325 VanDerWaalsContact O-CB 3.28Å; S322-A325 WeakPolarHBondContact O-CB 3.39Å; S322-A325 PolarHBondContact O-N 3.24Å; A325-N329 PolarHBondContact O-N 3.27Å; A325-N329 PolarHBondContact O-ND2 3.32Å
326	L	98.6	Very high	98.5	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-64.3	-45.1	177.9	-60.7	-173	0	0	0	111.5	L260 S322 L323 K328 N329 K330 I331 H333 F356	L260-L326 HydrophobicContact CD1-CD2 3.56Å; L260-L326 HydrophobicContact CD2-CD2 3.95Å; L260-L326 HydrophobicContact CG-CD2 4.42Å; S322-L326 WeakPolarHBondContact O-CG 3.3Å; S322-L326 PolarHBondContact O-N 3.25Å; L323-L326 HydrophobicContact CD2-CD1 4.44Å; L323-L326 PolarHBondContact O-N 3.03Å; L326-K328 PolarHBondContact O-N 3.05Å; L326-N329 CarbonylContact O-C 3.59Å; L326-N329 PolarHBondContact O-N 3.01Å; L326-K330 PolarHBondContact O-N 3.23Å; L326-I331 HydrophobicContact CB-CB 4.32Å; L326-I331 HydrophobicContact CD2-CB 4.31Å; L326-I331 HydrophobicContact CD2-CG2 4.03Å; L326-I331 PolarHBondContact O-N 2.87Å; L326-H333 HydrophobicContact CD1-CB 3.98Å; L326-F356 HydrophobicContact CD1-CE1 4.03Å; L326-F356 HydrophobicContact CD1-CZ 4.43Å; L326-F356 HydrophobicContact CD2-CE1 3.65Å; L326-F356 HydrophobicContact CD2-CZ 4.18Å; L326-F356 HydrophobicContact CG-CE1 4.48Å
327	H	98.6	Very high	98.4	Very high	66 Å²	66	27 Å²	27	31%	0.306	13%	0.126	S	C	.	.	H	α-helix	trans	-59.9	-45	179	-178.8	-82.3	0	0	0	112.1	L323 D324 N329 K330 T388 P513	L323-H327 VanDerWaalsContact O-CB 3.25Å; L323-H327 WeakPolarHBondContact O-CB 3.37Å; L323-H327 PolarHBondContact O-N 2.78Å; D324-H327 PolarHBondContact O-N 3.36Å; H327-N329 PolarHBondContact O-N 3.48Å; H327-K330 PolarHBondContact O-N 3.4Å; H327-K330 VanDerWaalsContact O-N 3.09Å; H327-T388 PolarHBondContact CD2-OG1 2.84Å; H327-P513 HydrophobicContact CB-CG 3.95Å
328	K	98.3	Very high	98.5	Very high	146 Å²	146	24.2 Å²	24.2	64%	0.635	11%	0.113	S	C	*	.	H	α-helix	trans	-59.7	-29.4	175.3	-76.9	167.2	175.2	163.9	0	113.2	D324 L326	D324-K328 WeakPolarHBondContact O-CB 3.43Å; D324-K328 VanDerWaalsContact O-CG 3.3Å; D324-K328 WeakPolarHBondContact O-CG 3.45Å; D324-K328 PolarHBondContact O-N 3.47Å; D324-K328 WeakPolarHBondContact OD2-CE 3.48Å; D324-K328 IonicContact OD2-NZ 2.73Å; D324-K328 PolarHBondContact OD2-NZ 3.1Å; L326-K328 PolarHBondContact O-N 3.05Å
329	N	98.2	Very high	98.4	Very high	34 Å²	34	26.9 Å²	26.9	18%	0.182	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	6.3	179.2	-71.5	-80	0	0	0	113.5	H259 L260 A325 L326 H327 I331	H259-N329 PolarHBondContact NE2-OD1 3.35Å; L260-N329 HydrophobicContact CD2-CB 4.41Å; A325-N329 PolarHBondContact O-N 3.27Å; A325-N329 PolarHBondContact O-ND2 3.32Å; L326-N329 CarbonylContact O-C 3.59Å; L326-N329 PolarHBondContact O-N 3.01Å; H327-N329 PolarHBondContact O-N 3.48Å; N329-I331 HydrophobicContact CB-CD1 3.78Å; N329-I331 HydrophobicContact CB-CG1 4.28Å; N329-I331 PolarHBondContact O-N 3.34Å
330	K	98.3	Very high	98.4	Very high	133 Å²	133	27.4 Å²	27.4	58%	0.578	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	39.5	-176.9	-54.2	-177.7	-179.2	179.6	0	112.9	L326 H327 F361 E362	L326-K330 PolarHBondContact O-N 3.23Å; H327-K330 PolarHBondContact O-N 3.4Å; H327-K330 VanDerWaalsContact O-N 3.09Å; K330-F361 CarbonylContact O-C 3.6Å; K330-F361 WeakPolarHBondContact O-CA 3.46Å; K330-E362 HydrophobicContact CB-CB 4.18Å; K330-E362 PolarHBondContact O-N 2.84Å
331	I	98.6	Very high	98.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.6	174.9	-68.7	158.4	0	0	0	108.6	I256 L260 L326 N329 C360 F361	I256-I331 HydrophobicContact CG2-CD1 4.05Å; I256-I331 HydrophobicContact CG2-CG2 4.15Å; L260-I331 HydrophobicContact CD1-CD1 4.31Å; L260-I331 HydrophobicContact CD2-CD1 3.84Å; L260-I331 HydrophobicContact CG-CD1 4.01Å; L326-I331 HydrophobicContact CB-CB 4.32Å; L326-I331 HydrophobicContact CD2-CB 4.31Å; L326-I331 HydrophobicContact CD2-CG2 4.03Å; L326-I331 PolarHBondContact O-N 2.87Å; N329-I331 HydrophobicContact CB-CD1 3.78Å; N329-I331 HydrophobicContact CB-CG1 4.28Å; N329-I331 PolarHBondContact O-N 3.34Å; I331-C360 WeakPolarHBondContact CA-O 3.41Å; I331-F361 HydrophobicContact CD1-CE1 3.92Å; I331-F361 HydrophobicContact CD1-CZ 4.22Å; I331-F361 HydrophobicContact CG1-CD1 3.77Å; I331-F361 HydrophobicContact CG1-CE1 3.69Å; I331-F361 HydrophobicContact CG1-CG 4.36Å; I331-F361 HydrophobicContact CG1-CZ 4.21Å
332	I	98.7	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.7	173.5	-45.6	170.6	0	0	0	107	C334 S359 C360 E362 K365 Y386 T388 I390	I332-C334 VanDerWaalsContact CG2-SG 3.53Å; I332-S359 VanDerWaalsContact O-CA 3.22Å; I332-S359 WeakPolarHBondContact O-CA 3.42Å; I332-S359 VanDerWaalsContact O-CB 3.29Å; I332-S359 WeakPolarHBondContact O-CB 3.48Å; I332-C360 PolarHBondContact N-O 3.04Å; I332-C360 PolarHBondContact O-N 2.9Å; I332-C360 VanDerWaalsContact O-N 3.11Å; I332-E362 HydrophobicContact CD1-CB 4.49Å; I332-K365 HydrophobicContact CD1-CD 4.24Å; I332-K365 HydrophobicContact CD1-CG 4.43Å; I332-Y386 HydrophobicContact CD1-CD2 4.24Å; I332-Y386 HydrophobicContact CD1-CE2 4.15Å; I332-T388 HydrophobicContact CG1-CG2 3.98Å; I332-I390 HydrophobicContact CG2-CD1 3.57Å; I332-I390 HydrophobicContact CG2-CG1 3.67Å
333	H	98.6	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.12	C	C	.	.			trans	-69.8	-41.2	-179.4	-172.3	-89.1	0	0	0	111.6	L326 D335 L336 V353 I354 D355 F356 S359 D391	L326-H333 HydrophobicContact CD1-CB 3.98Å; H333-D335 PolarHBondContact CE1-O 3.05Å; H333-D335 PolarHBondContact ND1-N 3.07Å; H333-D335 PolarHBondContact O-N 2.95Å; H333-D335 VanDerWaalsContact O-N 3.08Å; H333-L336 PolarHBondContact ND1-N 3.07Å; H333-L336 VanDerWaalsContact ND1-N 3.18Å; H333-V353 WeakPolarHBondContact NE2-CG1 3.39Å; H333-I354 PolarHBondContact NE2-O 3.17Å; H333-D355 PolarHBondContact CE1-O 3.1Å; H333-D355 PolarHBondContact NE2-O 3.36Å; H333-F356 AromaticContact CD2-CE1 3.85Å; H333-F356 AromaticContact CD2-CZ 3.91Å; H333-S359 WeakPolarHBondContact CA-OG 3.4Å; H333-S359 WeakPolarHBondContact O-CA 3.43Å; H333-S359 PolarHBondContact O-N 3.23Å; H333-S359 PolarHBondContact O-OG 3.46Å; H333-D391 PolarHBondContact N-OD2 2.84Å
334	C	98.1	Very high	98.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	13%	0.128	C	C	.	.	S	Bend	trans	68	-7.8	176.1	-60.2	0	0	0	0	116.4	I332 S358 I370 Q371 D391	I332-C334 VanDerWaalsContact CG2-SG 3.53Å; C334-S358 VanDerWaalsContact CB-O 3.23Å; C334-S358 WeakPolarHBondContact CB-O 3.12Å; C334-I370 HydrophobicContact CB-CB 4.5Å; C334-I370 HydrophobicContact CB-CD1 4.18Å; C334-Q371 WeakPolarHBondContact O-CA 3.19Å; C334-Q371 WeakPolarHBondContact O-CG 3.45Å; C334-Q371 PolarHBondContact O-N 3.46Å; C334-D391 PolarHBondContact N-OD1 3.47Å; C334-D391 VanDerWaalsContact N-OD1 3.13Å
335	D	97.5	Very high	98.1	Very high	9 Å²	9	31.9 Å²	31.9	5%	0.048	15%	0.148	C	C	.	.			trans	-146	47.5	172.4	-162.5	35	0	0	0	113.3	H333 K337 N340 S372	H333-D335 PolarHBondContact CE1-O 3.05Å; H333-D335 PolarHBondContact ND1-N 3.07Å; H333-D335 PolarHBondContact O-N 2.95Å; H333-D335 VanDerWaalsContact O-N 3.08Å; D335-K337 PolarHBondContact O-N 3.39Å; D335-K337 IonicContact OD1-NZ 2.67Å; D335-K337 IonicContact OD2-NZ 2.78Å; D335-K337 PolarHBondContact OD2-NZ 3.07Å; D335-N340 PolarHBondContact O-ND2 2.85Å; D335-N340 PolarHBondContact OD2-ND2 3.31Å; D335-S372 WeakPolarHBondContact OD1-CB 3.47Å; D335-S372 PolarHBondContact OD1-N 3.25Å; D335-S372 PolarHBondContact OD1-OG 2.69Å
336	L	98.6	Very high	97.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.169	C	C	.	.			trans	-73.7	123.8	177.2	-164.2	76.8	0	0	0	110.2	I319 L323 H333 I341 V353 S394 F395 I398	I319-L336 HydrophobicContact CG2-CD2 4.48Å; L323-L336 HydrophobicContact CD1-CD2 4.22Å; L323-L336 HydrophobicContact CD2-CD2 4.09Å; H333-L336 PolarHBondContact ND1-N 3.07Å; H333-L336 VanDerWaalsContact ND1-N 3.18Å; L336-I341 HydrophobicContact CD1-CD1 4.36Å; L336-I341 HydrophobicContact CD1-CG1 4.35Å; L336-V353 HydrophobicContact CD1-CG1 3.9Å; L336-V353 HydrophobicContact CD1-CG2 4.16Å; L336-S394 WeakPolarHBondContact O-CB 3.45Å; L336-F395 HydrophobicContact CD2-CB 4.12Å; L336-I398 HydrophobicContact CB-CD1 4.49Å; L336-I398 HydrophobicContact CD2-CD1 3.96Å; L336-I398 HydrophobicContact CG-CD1 3.78Å
337	K	98.6	Very high	97.1	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.03	21%	0.206	C	C	.	.			trans	-159.6	164.7	-179	63.5	-167.7	-174.2	-152.5	0	110.4	D335 E339 N340 S372 Y375	D335-K337 PolarHBondContact O-N 3.39Å; D335-K337 IonicContact OD1-NZ 2.67Å; D335-K337 IonicContact OD2-NZ 2.78Å; D335-K337 PolarHBondContact OD2-NZ 3.07Å; K337-E339 WeakPolarHBondContact CB-OE2 3.45Å; K337-E339 HydrophobicContact CG-CB 4.22Å; K337-E339 VanDerWaalsContact CG-OE2 3.31Å; K337-E339 WeakPolarHBondContact CG-OE2 3.48Å; K337-E339 PolarHBondContact O-N 3.47Å; K337-N340 WeakPolarHBondContact CE-ND2 3.5Å; K337-N340 HydrophobicContact CG-CB 4.04Å; K337-N340 PolarHBondContact O-N 3.5Å; K337-S372 VanDerWaalsContact CD-OG 3.27Å; K337-S372 WeakPolarHBondContact CD-OG 3.22Å; K337-S372 PolarHBondContact NZ-OG 3.43Å; K337-Y375 HydrophobicContact CB-CD2 3.54Å; K337-Y375 HydrophobicContact CB-CE2 3.5Å; K337-Y375 HydrophobicContact CB-CG 4.18Å
338	P	98.7	Very high	96.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-56	-36.2	-178.7	-26.1	36.9	0	0	0	113.8	L295 N340 I341 Y375 I398	L295-P338 HydrophobicContact CB-CB 4.05Å; L295-P338 PolarHBondContact N-O 3.04Å; L295-P338 VanDerWaalsContact N-O 3.15Å; P338-N340 PolarHBondContact O-N 3.27Å; P338-I341 PolarHBondContact O-N 3.45Å; P338-Y375 WeakPolarHBondContact CD-OH 3.49Å; P338-Y375 HydrophobicContact CG-CE1 4.08Å; P338-Y375 WeakPolarHBondContact CG-OH 3.5Å; P338-I398 HydrophobicContact CG-CG1 4.21Å; P338-I398 HydrophobicContact CG-CG2 4.4Å
339	E	97.4	Very high	96.6	Very high	66 Å²	66	39.5 Å²	39.5	31%	0.308	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-64	-27	176.8	-55.4	95.2	127.2	0	0	112.8	D294 Y296 K337	D294-E339 WeakPolarHBondContact CB-O 3.34Å; Y296-E339 HydrophobicContact CG-CG 4.34Å; K337-E339 WeakPolarHBondContact CB-OE2 3.45Å; K337-E339 HydrophobicContact CG-CB 4.22Å; K337-E339 VanDerWaalsContact CG-OE2 3.31Å; K337-E339 WeakPolarHBondContact CG-OE2 3.48Å; K337-E339 PolarHBondContact O-N 3.47Å
340	N	98.4	Very high	96.5	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.059	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-96.6	17.1	-179.6	-73.6	-11.7	0	0	0	112.9	D335 K337 P338 I354	D335-N340 PolarHBondContact O-ND2 2.85Å; D335-N340 PolarHBondContact OD2-ND2 3.31Å; K337-N340 WeakPolarHBondContact CE-ND2 3.5Å; K337-N340 HydrophobicContact CG-CB 4.04Å; K337-N340 PolarHBondContact O-N 3.5Å; P338-N340 PolarHBondContact O-N 3.27Å; N340-I354 HydrophobicContact CB-CG1 4.2Å; N340-I354 WeakPolarHBondContact O-CG1 3.29Å; N340-I354 PolarHBondContact O-N 3Å
341	I	98.8	Very high	96.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	107	175	-57.7	165.2	0	0	0	108.1	D294 L295 I319 L336 P338 T351 V353 I398	D294-I341 CarbonylContact C-O 3.51Å; D294-I341 WeakPolarHBondContact CA-O 3.29Å; L295-I341 HydrophobicContact CD1-CB 3.84Å; L295-I341 HydrophobicContact CD1-CD1 4.25Å; L295-I341 HydrophobicContact CD1-CG2 3.52Å; L295-I341 HydrophobicContact CG-CB 4.01Å; L295-I341 HydrophobicContact CG-CG2 3.86Å; L295-I341 WeakPolarHBondContact CG-O 3.38Å; L295-I341 PolarHBondContact N-O 3.37Å; I319-I341 HydrophobicContact CD1-CD1 3.8Å; I319-I341 HydrophobicContact CD1-CG2 4.43Å; I319-I341 HydrophobicContact CG1-CD1 4.1Å; I319-I341 HydrophobicContact CG1-CG2 4.14Å; L336-I341 HydrophobicContact CD1-CD1 4.36Å; L336-I341 HydrophobicContact CD1-CG1 4.35Å; P338-I341 PolarHBondContact O-N 3.45Å; I341-T351 HydrophobicContact CG2-CG2 3.77Å; I341-V353 HydrophobicContact CG1-CG2 4.46Å; I341-I398 HydrophobicContact CD1-CD1 3.95Å; I341-I398 HydrophobicContact CD1-CG2 4.25Å
342	L	98.6	Very high	96.5	Very high	31 Å²	31	34.6 Å²	34.6	16%	0.162	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	143.3	-178.3	-65.8	175.3	0	0	0	111.3	L291 S292 D294 T351 K352 I354	L291-L342 HydrophobicContact CB-CB 3.94Å; L291-L342 HydrophobicContact CB-CD1 3.94Å; L291-L342 HydrophobicContact CD1-CB 3.73Å; L291-L342 HydrophobicContact CD1-CD1 4.01Å; L291-L342 HydrophobicContact CD1-CG 4.49Å; L291-L342 HydrophobicContact CG-CD1 4.44Å; S292-L342 WeakPolarHBondContact O-CD2 3.44Å; D294-L342 HydrophobicContact CB-CD2 3.59Å; L342-T351 CarbonylContact O-C 3.53Å; L342-T351 WeakPolarHBondContact O-CA 3.3Å; L342-T351 WeakPolarHBondContact O-CB 3.5Å; L342-K352 PolarHBondContact N-O 3.05Å; L342-K352 PolarHBondContact O-N 3.25Å; L342-I354 HydrophobicContact CB-CG2 4.38Å; L342-I354 HydrophobicContact CD1-CD1 3.73Å; L342-I354 HydrophobicContact CD1-CG1 4.32Å; L342-I354 HydrophobicContact CD1-CG2 3.62Å; L342-I354 HydrophobicContact CG-CD1 3.92Å; L342-I354 HydrophobicContact CG-CG1 4.26Å; L342-I354 HydrophobicContact CG-CG2 3.97Å
343	L	98.3	Very high	96.5	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.3	166.1	-64.3	-178.3	0	0	0	109.9	S292 I293 L295 L298 F315 H345 T351	S292-L343 VanDerWaalsContact CB-O 3.3Å; S292-L343 WeakPolarHBondContact CB-O 3.41Å; S292-L343 PolarHBondContact N-O 3.24Å; I293-L343 HydrophobicContact CG1-CD1 4.13Å; I293-L343 PolarHBondContact O-N 3.29Å; L295-L343 HydrophobicContact CD2-CD2 3.87Å; L295-L343 HydrophobicContact CD2-CG 4.41Å; L298-L343 HydrophobicContact CD1-CD1 4.21Å; L298-L343 HydrophobicContact CD2-CD1 4.15Å; L298-L343 HydrophobicContact CD2-CD2 4.47Å; F315-L343 HydrophobicContact CE1-CD2 3.67Å; F315-L343 HydrophobicContact CZ-CD2 4.26Å; L343-H345 VanDerWaalsContact C-N 3.32Å; L343-H345 PolarHBondContact O-N 3.45Å; L343-T351 HydrophobicContact CD2-CG2 4.1Å
344	K	95.9	Very high	96.4	Very high	48 Å²	48	36.1 Å²	36.1	21%	0.209	19%	0.193	C	C	.	.	S	Bend	trans	-61.8	-42.8	174.4	-67.3	-172.8	-171.9	-177.9	0	111.6	N270 S350 T351 K352	N270-K344 WeakPolarHBondContact OD1-CE 3.5Å; N270-K344 PolarHBondContact OD1-NZ 3.3Å; K344-S350 PolarHBondContact N-O 3.24Å; K344-T351 WeakPolarHBondContact CE-O 3.3Å; K344-K352 HydrophobicContact CD-CG 4.32Å; K344-K352 HydrophobicContact CG-CG 4.02Å
345	H	94.4	Very high	96.3	Very high	103 Å²	103	37.3 Å²	37.3	48%	0.477	20%	0.199	S	C	.	.	S	Bend	trans	-142.9	151.7	-179.7	-56.1	-67.7	0	0	0	110.4	L343 R348	L343-H345 VanDerWaalsContact C-N 3.32Å; L343-H345 PolarHBondContact O-N 3.45Å; H345-R348 HydrophobicContact CB-CG 4.5Å; H345-R348 PolarHBondContact CD2-NH1 3.32Å; H345-R348 PolarHBondContact O-N 2.99Å
346	H	89	Confident	96.3	Very high	113 Å²	113	36.9 Å²	36.9	52%	0.523	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	140	174.1	-157.3	55.6	0	0	0	111.1	K301 R348	K301-H346 PolarHBondContact NZ-CE1 3.21Å; K301-H346 VanDerWaalsContact NZ-CE1 3.31Å; K301-H346 PolarHBondContact NZ-NE2 3.01Å; H346-R348 PolarHBondContact O-N 3.46Å
347	G	87.5	Confident	96.1	Very high	76 Å²	76	37 Å²	37	78%	0.784	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	4.7	178.9	0	0	0	0	0	115.8
348	R	93.4	Very high	95.9	Very high	161 Å²	161	38 Å²	38	61%	0.608	21%	0.206	S	C	*	.			trans	-117.2	153	174.2	-63.1	-171.2	-178.6	136.7	0.2	110.8	H345 H346	H345-R348 HydrophobicContact CB-CG 4.5Å; H345-R348 PolarHBondContact CD2-NH1 3.32Å; H345-R348 PolarHBondContact O-N 2.99Å; H346-R348 PolarHBondContact O-N 3.46Å
349	S	92.6	Very high	95.8	Very high	33 Å²	33	38.3 Å²	38.3	23%	0.231	21%	0.208	C	C	.	.			trans	-92.3	-1.1	-175.5	70.7	0	0	0	0	114.8	F315	F315-S349 WeakPolarHBondContact CD1-O 3.45Å
350	S	95.8	Very high	95.8	Very high	56 Å²	56	35.7 Å²	35.7	39%	0.392	20%	0.197	S	C	.	.			trans	-74.4	133.4	178.1	-61	0	0	0	0	110.4	K344	K344-S350 PolarHBondContact N-O 3.24Å
351	T	98.3	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	163.9	-176.2	60	0	0	0	0	112.2	N270 L295 F315 S318 I341 L342 L343 K344	N270-T351 WeakPolarHBondContact CB-O 3.25Å; L295-T351 HydrophobicContact CD2-CG2 4.35Å; F315-T351 HydrophobicContact CD1-CG2 3.74Å; F315-T351 HydrophobicContact CE1-CG2 4.12Å; S318-T351 VanDerWaalsContact CB-OG1 3.28Å; S318-T351 WeakPolarHBondContact CB-OG1 3.37Å; S318-T351 PolarHBondContact OG-N 3.46Å; S318-T351 PolarHBondContact OG-O 3.23Å; S318-T351 PolarHBondContact OG-OG1 3.46Å; I341-T351 HydrophobicContact CG2-CG2 3.77Å; L342-T351 CarbonylContact O-C 3.53Å; L342-T351 WeakPolarHBondContact O-CA 3.3Å; L342-T351 WeakPolarHBondContact O-CB 3.5Å; L343-T351 HydrophobicContact CD2-CG2 4.1Å; K344-T351 WeakPolarHBondContact CE-O 3.3Å
352	K	98.6	Very high	95.6	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.7	157.4	-68.9	-169.5	164.4	-164.1	0	109.9	N270 V271 H273 E289 L291 L342 K344	N270-K352 CarbonylContact O-C 3.14Å; N270-K352 WeakPolarHBondContact O-CA 3.39Å; V271-K352 WeakPolarHBondContact O-CD 2.98Å; V271-K352 PolarHBondContact O-NZ 3.15Å; H273-K352 PolarHBondContact CE1-NZ 3.36Å; H273-K352 PolarHBondContact ND1-NZ 2.67Å; E289-K352 VanDerWaalsContact CD-NZ 3.26Å; E289-K352 WeakPolarHBondContact OE1-CD 3.46Å; E289-K352 WeakPolarHBondContact OE1-CE 3.46Å; E289-K352 IonicContact OE1-NZ 3.44Å; E289-K352 PolarHBondContact OE1-NZ 3.32Å; E289-K352 IonicContact OE2-NZ 2.7Å; E289-K352 PolarHBondContact OE2-NZ 3.07Å; E289-K352 VanDerWaalsContact OE2-NZ 3.11Å; L291-K352 HydrophobicContact CD1-CB 3.79Å; L291-K352 HydrophobicContact CD1-CD 4.23Å; L291-K352 HydrophobicContact CD1-CG 4.34Å; L291-K352 HydrophobicContact CD2-CD 4.42Å; L342-K352 PolarHBondContact N-O 3.05Å; L342-K352 PolarHBondContact O-N 3.25Å; K344-K352 HydrophobicContact CD-CG 4.32Å; K344-K352 HydrophobicContact CG-CG 4.02Å
353	V	98.8	Very high	95.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	136.9	169.9	176.9	0	0	0	0	109	N270 I272 S322 H333 L336 I341 F356	N270-V353 PolarHBondContact O-N 2.87Å; I272-V353 PolarHBondContact N-O 3.24Å; S322-V353 WeakPolarHBondContact OG-CG2 3.01Å; H333-V353 WeakPolarHBondContact NE2-CG1 3.39Å; L336-V353 HydrophobicContact CD1-CG1 3.9Å; L336-V353 HydrophobicContact CD1-CG2 4.16Å; I341-V353 HydrophobicContact CG1-CG2 4.46Å; V353-F356 HydrophobicContact CG1-CE2 4.24Å; V353-F356 HydrophobicContact CG1-CZ 4.24Å
354	I	98.3	Very high	95	Very high	32 Å²	32	48.9 Å²	48.9	16%	0.164	25%	0.251	C	S	.	.			trans	-126	175.3	-178.3	68	152.9	0	0	0	111.5	I272 L291 H333 N340 L342	I272-I354 HydrophobicContact CB-CB 4.49Å; I272-I354 HydrophobicContact CB-CG2 3.87Å; I272-I354 HydrophobicContact CD1-CG2 4.12Å; I272-I354 HydrophobicContact CG1-CG2 4.17Å; I272-I354 HydrophobicContact CG2-CB 4.43Å; I272-I354 HydrophobicContact CG2-CG2 4.35Å; L291-I354 HydrophobicContact CD1-CG2 4.33Å; H333-I354 PolarHBondContact NE2-O 3.17Å; N340-I354 HydrophobicContact CB-CG1 4.2Å; N340-I354 WeakPolarHBondContact O-CG1 3.29Å; N340-I354 PolarHBondContact O-N 3Å; L342-I354 HydrophobicContact CB-CG2 4.38Å; L342-I354 HydrophobicContact CD1-CD1 3.73Å; L342-I354 HydrophobicContact CD1-CG1 4.32Å; L342-I354 HydrophobicContact CD1-CG2 3.62Å; L342-I354 HydrophobicContact CG-CD1 3.92Å; L342-I354 HydrophobicContact CG-CG1 4.26Å; L342-I354 HydrophobicContact CG-CG2 3.97Å
355	D	95.9	Very high	94.8	Very high	25 Å²	25	50.2 Å²	50.2	13%	0.134	26%	0.257	C	S	.	.			trans	62	76.4	172.4	-164.7	25.9	0	0	0	114.7	K238 H333 G357	K238-D355 IonicContact NZ-OD1 3.61Å; K238-D355 PolarHBondContact NZ-OD1 3.41Å; H333-D355 PolarHBondContact CE1-O 3.1Å; H333-D355 PolarHBondContact NE2-O 3.36Å; D355-G357 PolarHBondContact O-N 2.96Å
356	F	97.1	Very high	94.1	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-90.1	14.7	179	-74.6	-103.6	0	0	0	112.1	E253 I256 L257 L260 V271 I272 L326 H333 V353 S358 S359	E253-F356 HydrophobicContact CG-CB 3.94Å; E253-F356 PolarHBondContact OE1-N 3.46Å; E253-F356 VanDerWaalsContact OE1-N 3.16Å; I256-F356 HydrophobicContact CG2-CD1 3.77Å; I256-F356 HydrophobicContact CG2-CE1 4.41Å; I256-F356 HydrophobicContact CG2-CG 4.49Å; L257-F356 HydrophobicContact CD2-CB 4.43Å; L257-F356 HydrophobicContact CD2-CD2 3.69Å; L257-F356 HydrophobicContact CD2-CE2 4.08Å; L257-F356 HydrophobicContact CD2-CG 4Å; L257-F356 HydrophobicContact CG-CB 4.37Å; L257-F356 HydrophobicContact CG-CD2 4.5Å; L257-F356 HydrophobicContact CG-CG 4.44Å; L260-F356 HydrophobicContact CD1-CE1 3.93Å; L260-F356 HydrophobicContact CD1-CZ 4.34Å; V271-F356 HydrophobicContact CG1-CE2 3.7Å; V271-F356 HydrophobicContact CG1-CZ 3.66Å; V271-F356 HydrophobicContact CG2-CZ 4.17Å; I272-F356 HydrophobicContact CG2-CD2 4.41Å; I272-F356 HydrophobicContact CG2-CE2 4.34Å; L326-F356 HydrophobicContact CD1-CE1 4.03Å; L326-F356 HydrophobicContact CD1-CZ 4.43Å; L326-F356 HydrophobicContact CD2-CE1 3.65Å; L326-F356 HydrophobicContact CD2-CZ 4.18Å; L326-F356 HydrophobicContact CG-CE1 4.48Å; H333-F356 AromaticContact CD2-CE1 3.85Å; H333-F356 AromaticContact CD2-CZ 3.91Å; V353-F356 HydrophobicContact CG1-CE2 4.24Å; V353-F356 HydrophobicContact CG1-CZ 4.24Å; F356-S358 PolarHBondContact O-N 3.32Å; F356-S359 WeakPolarHBondContact CA-OG 3.24Å; F356-S359 WeakPolarHBondContact CD1-OG 3.41Å; F356-S359 VanDerWaalsContact O-CB 3.3Å; F356-S359 WeakPolarHBondContact O-CB 3.47Å; F356-S359 PolarHBondContact O-N 2.87Å; F356-S359 PolarHBondContact O-OG 3.2Å
357	G	94.2	Very high	94	Very high	3 Å²	3	49.1 Å²	49.1	3%	0.031	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-64.8	-21.3	-177.6	0	0	0	0	0	114.6	Q249 E253 D355	Q249-G357 WeakPolarHBondContact CB-O 3.43Å; Q249-G357 PolarHBondContact OE1-O 3.11Å; E253-G357 WeakPolarHBondContact OE2-CA 3.26Å; D355-G357 PolarHBondContact O-N 2.96Å
358	S	94.6	Very high	94	Very high	27 Å²	27	51.2 Å²	51.2	19%	0.189	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-101.4	-4.8	173.8	-60.3	0	0	0	0	113.3	F220 C334 F356	F220-S358 WeakPolarHBondContact CZ-OG 3.3Å; C334-S358 VanDerWaalsContact CB-O 3.23Å; C334-S358 WeakPolarHBondContact CB-O 3.12Å; F356-S358 PolarHBondContact O-N 3.32Å
359	S	97	Very high	94	Very high	7 Å²	7	46.7 Å²	46.7	5%	0.049	23%	0.234	C	C	.	.			trans	-72.6	156	-172.2	-58.1	0	0	0	0	111.9	I332 H333 F356	I332-S359 VanDerWaalsContact O-CA 3.22Å; I332-S359 WeakPolarHBondContact O-CA 3.42Å; I332-S359 VanDerWaalsContact O-CB 3.29Å; I332-S359 WeakPolarHBondContact O-CB 3.48Å; H333-S359 WeakPolarHBondContact CA-OG 3.4Å; H333-S359 WeakPolarHBondContact O-CA 3.43Å; H333-S359 PolarHBondContact O-N 3.23Å; H333-S359 PolarHBondContact O-OG 3.46Å; F356-S359 WeakPolarHBondContact CA-OG 3.24Å; F356-S359 WeakPolarHBondContact CD1-OG 3.41Å; F356-S359 VanDerWaalsContact O-CB 3.3Å; F356-S359 WeakPolarHBondContact O-CB 3.47Å; F356-S359 PolarHBondContact O-N 2.87Å; F356-S359 PolarHBondContact O-OG 3.2Å
360	C	96.8	Very high	94.1	Very high	11 Å²	11	45.8 Å²	45.8	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	159.7	175.3	64.3	0	0	0	0	111	I331 I332 Q364	I331-C360 WeakPolarHBondContact CA-O 3.41Å; I332-C360 PolarHBondContact N-O 3.04Å; I332-C360 PolarHBondContact O-N 2.9Å; I332-C360 VanDerWaalsContact O-N 3.11Å; C360-Q364 WeakPolarHBondContact CB-O 3.44Å
361	F	97.6	Very high	94.2	Very high	16 Å²	16	43.6 Å²	43.6	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	146.2	163	-67.2	-94.3	0	0	0	109.9	E252 I256 H259 K330 I331 Y363 Q364	E252-F361 WeakPolarHBondContact OE1-CD2 3.46Å; I256-F361 HydrophobicContact CD1-CE2 4.37Å; I256-F361 HydrophobicContact CG1-CD2 4.13Å; I256-F361 HydrophobicContact CG1-CE2 3.53Å; I256-F361 HydrophobicContact CG1-CZ 4.13Å; H259-F361 HydrophobicContact CB-CZ 4.49Å; K330-F361 CarbonylContact O-C 3.6Å; K330-F361 WeakPolarHBondContact O-CA 3.46Å; I331-F361 HydrophobicContact CD1-CE1 3.92Å; I331-F361 HydrophobicContact CD1-CZ 4.22Å; I331-F361 HydrophobicContact CG1-CD1 3.77Å; I331-F361 HydrophobicContact CG1-CE1 3.69Å; I331-F361 HydrophobicContact CG1-CG 4.36Å; I331-F361 HydrophobicContact CG1-CZ 4.21Å; F361-Y363 HydrophobicContact CB-CD1 3.54Å; F361-Y363 HydrophobicContact CB-CE1 3.25Å; F361-Y363 HydrophobicContact CB-CG 4.45Å; F361-Y363 HydrophobicContact CD1-CE1 4.05Å; F361-Y363 HydrophobicContact CD2-CE1 4.43Å; F361-Y363 HydrophobicContact CG-CD1 4.38Å; F361-Y363 AromaticContact CG-CE1 3.67Å; F361-Y363 HydrophobicContact CG-CE1 3.67Å; F361-Y363 PolarHBondContact O-N 3.42Å; F361-Q364 CarbonylContact O-C 3.57Å; F361-Q364 PolarHBondContact O-N 2.98Å
362	E	94.9	Very high	94.2	Very high	66 Å²	66	44.7 Å²	44.7	31%	0.308	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.3	-176.1	-174.4	-178.6	-168.1	0	0	113.7	K330 I332 Q364 K365 S387	K330-E362 HydrophobicContact CB-CB 4.18Å; K330-E362 PolarHBondContact O-N 2.84Å; I332-E362 HydrophobicContact CD1-CB 4.49Å; E362-Q364 VanDerWaalsContact C-N 3.34Å; E362-K365 WeakPolarHBondContact O-CE 3.22Å; E362-K365 PolarHBondContact O-NZ 3.36Å; E362-S387 WeakPolarHBondContact CG-OG 3.04Å; E362-S387 WeakPolarHBondContact OE1-CB 3.14Å; E362-S387 PolarHBondContact OE1-OG 3.24Å
363	Y	93.4	Very high	94.1	Very high	167 Å²	167	46 Å²	46	66%	0.655	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.6	177.9	73.2	-93.4	0	0	0	113.7	F361	F361-Y363 HydrophobicContact CB-CD1 3.54Å; F361-Y363 HydrophobicContact CB-CE1 3.25Å; F361-Y363 HydrophobicContact CB-CG 4.45Å; F361-Y363 HydrophobicContact CD1-CE1 4.05Å; F361-Y363 HydrophobicContact CD2-CE1 4.43Å; F361-Y363 HydrophobicContact CG-CD1 4.38Å; F361-Y363 AromaticContact CG-CE1 3.67Å; F361-Y363 HydrophobicContact CG-CE1 3.67Å; F361-Y363 PolarHBondContact O-N 3.42Å
364	Q	92.1	Very high	94.1	Very high	74 Å²	74	46.8 Å²	46.8	35%	0.346	23%	0.226	S	C	.	.			trans	-127.4	62.1	-172.7	-166.2	176.8	-4.5	0	0	111.5	C360 F361 E362 L366	C360-Q364 WeakPolarHBondContact CB-O 3.44Å; F361-Q364 CarbonylContact O-C 3.57Å; F361-Q364 PolarHBondContact O-N 2.98Å; E362-Q364 VanDerWaalsContact C-N 3.34Å; Q364-L366 PolarHBondContact O-N 3.42Å
365	K	90.5	Very high	94.2	Very high	76 Å²	76	45.5 Å²	45.5	33%	0.33	22%	0.219	S	C	.	.			trans	-84.6	110.5	178.9	-71.3	174.2	-67.3	-145.7	0	110.9	I332 E362 Y386	I332-K365 HydrophobicContact CD1-CD 4.24Å; I332-K365 HydrophobicContact CD1-CG 4.43Å; E362-K365 WeakPolarHBondContact O-CE 3.22Å; E362-K365 PolarHBondContact O-NZ 3.36Å; K365-Y386 HydrophobicContact CB-CE2 4.48Å; K365-Y386 HydrophobicContact CD-CD2 3.98Å; K365-Y386 HydrophobicContact CD-CE1 4.32Å; K365-Y386 HydrophobicContact CD-CE2 3.56Å; K365-Y386 WeakPolarHBondContact CD-O 3.3Å; K365-Y386 HydrophobicContact CG-CE2 3.87Å; K365-Y386 PolarHBondContact NZ-O 3.22Å
366	L	80.6	Confident	94.3	Very high	117 Å²	117	44.6 Å²	44.6	61%	0.613	21%	0.214	S	C	*	.			trans	-92.2	-31.8	-174.3	-63.5	176.7	0	0	0	114.2	Q364	Q364-L366 PolarHBondContact O-N 3.42Å
367	Y	86.4	Confident	94.4	Very high	76 Å²	76	44.5 Å²	44.5	30%	0.298	21%	0.214	S	C	.	.			trans	-121.4	149.7	-169.3	-57.2	-65.6	0	0	0	112.1	Q249 Y386	Q249-Y367 HydrophobicContact CG-CE2 4.5Å; Y367-Y386 WeakPolarHBondContact O-CE1 3.43Å; Y367-Y386 PolarHBondContact O-OH 2.68Å
368	T	88.3	Confident	94.6	Very high	120 Å²	120	44.4 Å²	44.4	74%	0.736	21%	0.212	S	C	*	.	S	Bend	trans	-104.6	-26.7	176.6	49.1	0	0	0	0	112.6	I380	T368-I380 WeakPolarHBondContact O-CG2 3.4Å
369	Y	92.6	Very high	94.8	Very high	66 Å²	66	43.1 Å²	43.1	26%	0.259	20%	0.203	S	C	.	.	S	Bend	trans	-101.3	98.2	173.3	-173.2	-93.9	0	0	0	109.4	I38 R376 E414	I38-Y369 HydrophobicContact CB-CE1 4.47Å; I38-Y369 HydrophobicContact CG1-CD1 4.42Å; I38-Y369 HydrophobicContact CG1-CE1 4.32Å; I38-Y369 HydrophobicContact CG2-CD1 4Å; I38-Y369 HydrophobicContact CG2-CE1 4.29Å; Y369-R376 VanDerWaalsContact CE2-NH1 3.31Å; Y369-R376 PolarHBondContact OH-NH1 3.33Å; Y369-R376 PolarHBondContact OH-NH2 3.08Å; Y369-E414 WeakPolarHBondContact CD2-OE1 3.35Å; Y369-E414 HydrophobicContact CE2-CG 4.19Å; Y369-E414 WeakPolarHBondContact CE2-OE1 3.33Å
370	I	95.4	Very high	94.9	Very high	14 Å²	14	43 Å²	43	7%	0.072	20%	0.202	C	C	.	.			trans	-137.6	173.1	-175.3	57.4	169.7	0	0	0	110.7	C334 R376 I380 Y386 I390	C334-I370 HydrophobicContact CB-CB 4.5Å; C334-I370 HydrophobicContact CB-CD1 4.18Å; I370-R376 PolarHBondContact O-NE 3.49Å; I370-R376 PolarHBondContact O-NH2 3.2Å; I370-I380 HydrophobicContact CD1-CD1 3.82Å; I370-I380 HydrophobicContact CG1-CD1 3.88Å; I370-I380 HydrophobicContact CG1-CG1 4.25Å; I370-I380 HydrophobicContact CG1-CG2 4.05Å; I370-Y386 HydrophobicContact CD1-CD2 4.07Å; I370-Y386 HydrophobicContact CD1-CE1 4.23Å; I370-Y386 HydrophobicContact CD1-CE2 3.54Å; I370-I390 HydrophobicContact CD1-CD1 3.63Å
371	Q	97.6	Very high	95	Very high	9 Å²	9	42.4 Å²	42.4	4%	0.042	20%	0.198	C	C	.	.	S	Bend	trans	64.7	145.7	-173.8	-55.1	175	-73.6	0	0	114.2	C334 Y375 R376 I390 S394	C334-Q371 WeakPolarHBondContact O-CA 3.19Å; C334-Q371 WeakPolarHBondContact O-CG 3.45Å; C334-Q371 PolarHBondContact O-N 3.46Å; Q371-Y375 PolarHBondContact NE2-O 3.46Å; Q371-R376 HydrophobicContact CB-CB 4.04Å; Q371-R376 HydrophobicContact CB-CG 4.21Å; Q371-R376 VanDerWaalsContact O-CZ 3.26Å; Q371-R376 PolarHBondContact O-NE 3.33Å; Q371-R376 PolarHBondContact O-NH2 3.07Å; Q371-I390 HydrophobicContact CG-CD1 4.24Å; Q371-I390 PolarHBondContact NE2-O 3.39Å; Q371-S394 PolarHBondContact NE2-OG 3.37Å
372	S	96.9	Very high	95	Very high	24 Å²	24	41.7 Å²	41.7	17%	0.168	20%	0.195	C	C	.	.			trans	-66.9	136.9	167.1	-64.6	0	0	0	0	110.7	D335 K337 F374 Y375 R376	D335-S372 WeakPolarHBondContact OD1-CB 3.47Å; D335-S372 PolarHBondContact OD1-N 3.25Å; D335-S372 PolarHBondContact OD1-OG 2.69Å; K337-S372 VanDerWaalsContact CD-OG 3.27Å; K337-S372 WeakPolarHBondContact CD-OG 3.22Å; K337-S372 PolarHBondContact NZ-OG 3.43Å; S372-F374 PolarHBondContact O-N 2.78Å; S372-Y375 CarbonylContact O-C 3.52Å; S372-Y375 PolarHBondContact O-N 3.08Å; S372-R376 PolarHBondContact O-N 3.1Å; S372-R376 VanDerWaalsContact O-N 3.12Å
373	R	98.1	Very high	95.1	Very high	36 Å²	36	39.5 Å²	39.5	14%	0.136	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-52	-45.9	-161.6	-170.1	-172.5	-62.2	96.1	-2.1	115	Y375 R376 G411 Q417	R373-Y375 PolarHBondContact O-N 3.13Å; R373-R376 VanDerWaalsContact O-CB 3.31Å; R373-R376 WeakPolarHBondContact O-CB 3.31Å; R373-R376 PolarHBondContact O-N 3.01Å; R373-G411 WeakPolarHBondContact CD-O 3.36Å; R373-Q417 HydrophobicContact CG-CB 4.16Å; R373-Q417 HydrophobicContact CG-CG 4.1Å; R373-Q417 PolarHBondContact O-NE2 3.12Å; R373-Q417 PolarHBondContact O-OE1 3.18Å
374	F	98.7	Very high	95.3	Very high	15 Å²	15	32.4 Å²	32.4	7%	0.066	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-65.2	-23.5	-177	-57.5	-21.6	0	0	0	113.2	Y32 S372 P407 F409 P410 G411	Y32-F374 HydrophobicContact CE1-CE2 4.3Å; S372-F374 PolarHBondContact O-N 2.78Å; F374-P407 HydrophobicContact CB-CB 4.37Å; F374-P407 HydrophobicContact CD2-CB 3.89Å; F374-P407 HydrophobicContact CD2-CG 3.82Å; F374-P407 HydrophobicContact CE2-CB 4.48Å; F374-P407 HydrophobicContact CE2-CG 4.07Å; F374-P407 HydrophobicContact CG-CB 4.25Å; F374-F409 WeakPolarHBondContact CD1-O 3.21Å; F374-P410 HydrophobicContact CE1-CB 4.48Å; F374-G411 VanDerWaalsContact CE1-O 3.31Å; F374-G411 WeakPolarHBondContact CE1-O 3.41Å
375	Y	98.8	Very high	95.5	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.02	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-107.8	5.2	-177.9	-43.3	-78.2	0	0	0	112.1	K337 P338 Q371 S372 R373 S394 C397 I398 E401	K337-Y375 HydrophobicContact CB-CD2 3.54Å; K337-Y375 HydrophobicContact CB-CE2 3.5Å; K337-Y375 HydrophobicContact CB-CG 4.18Å; P338-Y375 WeakPolarHBondContact CD-OH 3.49Å; P338-Y375 HydrophobicContact CG-CE1 4.08Å; P338-Y375 WeakPolarHBondContact CG-OH 3.5Å; Q371-Y375 PolarHBondContact NE2-O 3.46Å; S372-Y375 CarbonylContact O-C 3.52Å; S372-Y375 PolarHBondContact O-N 3.08Å; R373-Y375 PolarHBondContact O-N 3.13Å; Y375-S394 WeakPolarHBondContact O-CA 3.46Å; Y375-S394 PolarHBondContact O-OG 2.98Å; Y375-C397 HydrophobicContact CD1-CB 3.77Å; Y375-C397 HydrophobicContact CE1-CB 4.49Å; Y375-I398 HydrophobicContact CD1-CG1 3.77Å; Y375-I398 HydrophobicContact CE1-CG1 3.88Å; Y375-E401 WeakPolarHBondContact CE1-OE2 3.44Å; Y375-E401 PolarHBondContact OH-OE2 3.36Å
376	R	98.8	Very high	95.9	Very high	6 Å²	6	36.7 Å²	36.7	2%	0.023	18%	0.176	C	C	.	.			trans	-75.8	132.3	-176.2	-175.9	175.5	-67.7	150.5	-3	111	Y369 I370 Q371 S372 R373 I380 I381 W393 M421	Y369-R376 VanDerWaalsContact CE2-NH1 3.31Å; Y369-R376 PolarHBondContact OH-NH1 3.33Å; Y369-R376 PolarHBondContact OH-NH2 3.08Å; I370-R376 PolarHBondContact O-NE 3.49Å; I370-R376 PolarHBondContact O-NH2 3.2Å; Q371-R376 HydrophobicContact CB-CB 4.04Å; Q371-R376 HydrophobicContact CB-CG 4.21Å; Q371-R376 VanDerWaalsContact O-CZ 3.26Å; Q371-R376 PolarHBondContact O-NE 3.33Å; Q371-R376 PolarHBondContact O-NH2 3.07Å; S372-R376 PolarHBondContact O-N 3.1Å; S372-R376 VanDerWaalsContact O-N 3.12Å; R373-R376 VanDerWaalsContact O-CB 3.31Å; R373-R376 WeakPolarHBondContact O-CB 3.31Å; R373-R376 PolarHBondContact O-N 3.01Å; R376-I380 HydrophobicContact CG-CB 3.91Å; R376-I380 HydrophobicContact CG-CG2 3.88Å; R376-I381 HydrophobicContact CG-CD1 4.48Å; R376-I381 HydrophobicContact CG-CG1 4.05Å; R376-W393 PolarHBondContact O-NE1 2.76Å; R376-M421 WeakPolarHBondContact O-CE 3.48Å
377	A	98.8	Very high	96.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.			trans	-74.8	151.1	-179.7	0	0	0	0	0	112.3	E379 I380 I381 I390 W393	A377-E379 VanDerWaalsContact C-N 3.34Å; A377-E379 HydrophobicContact CB-CG 4.48Å; A377-E379 WeakPolarHBondContact CB-OE2 3.49Å; A377-E379 PolarHBondContact O-N 3.12Å; A377-I380 HydrophobicContact CB-CG1 4.38Å; A377-I380 WeakPolarHBondContact O-CB 3.3Å; A377-I380 PolarHBondContact O-N 3.03Å; A377-I380 VanDerWaalsContact O-N 3.15Å; A377-I381 PolarHBondContact O-N 3.37Å; A377-I390 HydrophobicContact CB-CB 3.85Å; A377-I390 HydrophobicContact CB-CG2 3.81Å; A377-W393 HydrophobicContact CB-CB 3.85Å; A377-W393 HydrophobicContact CB-CD2 4.38Å; A377-W393 HydrophobicContact CB-CG 3.8Å
378	P	98.8	Very high	97.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.4	-34.4	-175.1	25.3	-35.4	0	0	0	113.3	I380 I381 L382 W393 M421 W505	P378-I380 PolarHBondContact O-N 3.46Å; P378-I381 PolarHBondContact O-N 2.89Å; P378-L382 HydrophobicContact CB-CD1 4.44Å; P378-L382 VanDerWaalsContact O-CB 3.25Å; P378-L382 WeakPolarHBondContact O-CB 3.38Å; P378-L382 VanDerWaalsContact O-CG 3.27Å; P378-L382 WeakPolarHBondContact O-CG 3.49Å; P378-L382 PolarHBondContact O-N 2.75Å; P378-W393 VanDerWaalsContact CD-CE3 3.47Å; P378-W393 HydrophobicContact CG-CE3 4.08Å; P378-W393 HydrophobicContact CG-CH2 3.95Å; P378-W393 HydrophobicContact CG-CZ2 4.48Å; P378-W393 HydrophobicContact CG-CZ3 3.73Å; P378-M421 HydrophobicContact CB-SD 4.07Å; P378-W505 HydrophobicContact CB-CE3 3.61Å; P378-W505 HydrophobicContact CB-CZ3 3.46Å; P378-W505 VanDerWaalsContact CB-CZ3 3.46Å; P378-W505 HydrophobicContact CG-CE3 3.82Å; P378-W505 HydrophobicContact CG-CZ3 4.12Å
379	E	98.7	Very high	97.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.6	-27.4	176.5	62.1	-90.4	-143.8	0	0	113.1	A377 G383 S384 I390 R510	A377-E379 VanDerWaalsContact C-N 3.34Å; A377-E379 HydrophobicContact CB-CG 4.48Å; A377-E379 WeakPolarHBondContact CB-OE2 3.49Å; A377-E379 PolarHBondContact O-N 3.12Å; E379-G383 PolarHBondContact O-N 2.93Å; E379-S384 PolarHBondContact O-N 3.03Å; E379-I390 HydrophobicContact CG-CG2 4.06Å; E379-I390 VanDerWaalsContact OE1-CG2 3.3Å; E379-I390 WeakPolarHBondContact OE1-CG2 3.32Å; E379-R510 VanDerWaalsContact CD-NH1 3.34Å; E379-R510 IonicContact OE1-CZ 3.5Å; E379-R510 IonicContact OE1-NH1 3.41Å; E379-R510 PolarHBondContact OE1-NH1 3.29Å; E379-R510 IonicContact OE1-NH2 3.35Å; E379-R510 IonicContact OE2-CZ 2.83Å; E379-R510 IonicContact OE2-NH1 3.67Å; E379-R510 PolarHBondContact OE2-NH1 3.03Å; E379-R510 IonicContact OE2-NH2 3.66Å; E379-R510 PolarHBondContact OE2-NH2 3.15Å
380	I	98.5	Very high	98.1	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-70.7	-48.9	174.2	-59.1	-56.6	0	0	0	109.8	T368 I370 R376 A377 P378 L382 G383 Y386 I390	T368-I380 WeakPolarHBondContact O-CG2 3.4Å; I370-I380 HydrophobicContact CD1-CD1 3.82Å; I370-I380 HydrophobicContact CG1-CD1 3.88Å; I370-I380 HydrophobicContact CG1-CG1 4.25Å; I370-I380 HydrophobicContact CG1-CG2 4.05Å; R376-I380 HydrophobicContact CG-CB 3.91Å; R376-I380 HydrophobicContact CG-CG2 3.88Å; A377-I380 HydrophobicContact CB-CG1 4.38Å; A377-I380 WeakPolarHBondContact O-CB 3.3Å; A377-I380 PolarHBondContact O-N 3.03Å; A377-I380 VanDerWaalsContact O-N 3.15Å; P378-I380 PolarHBondContact O-N 3.46Å; I380-L382 PolarHBondContact O-N 3.2Å; I380-G383 PolarHBondContact O-N 2.85Å; I380-Y386 VanDerWaalsContact CD1-CB 3.49Å; I380-Y386 HydrophobicContact CD1-CD1 3.46Å; I380-Y386 VanDerWaalsContact CD1-CD1 3.46Å; I380-Y386 HydrophobicContact CD1-CD2 4Å; I380-Y386 HydrophobicContact CD1-CE1 4.12Å; I380-Y386 HydrophobicContact CD1-CG 3.38Å; I380-I390 HydrophobicContact CD1-CD1 4.42Å; I380-I390 HydrophobicContact CD1-CG2 4.1Å; I380-I390 HydrophobicContact CG1-CG2 4.11Å
381	I	98.6	Very high	98.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.6	-46.3	179.2	-61.4	173.2	0	0	0	110.4	R376 A377 P378 G383 E414 Q417 L418 M421 R438 F442	R376-I381 HydrophobicContact CG-CD1 4.48Å; R376-I381 HydrophobicContact CG-CG1 4.05Å; A377-I381 PolarHBondContact O-N 3.37Å; P378-I381 PolarHBondContact O-N 2.89Å; I381-G383 PolarHBondContact O-N 3.19Å; I381-E414 HydrophobicContact CG2-CB 4.15Å; I381-Q417 HydrophobicContact CD1-CB 4.06Å; I381-Q417 HydrophobicContact CD1-CG 3.7Å; I381-L418 HydrophobicContact CG2-CD1 3.87Å; I381-L418 HydrophobicContact CG2-CG 3.99Å; I381-M421 HydrophobicContact CD1-CE 3.84Å; I381-M421 HydrophobicContact CD1-SD 4.39Å; I381-R438 PolarHBondContact O-NH1 3.05Å; I381-F442 HydrophobicContact CG2-CE1 4.12Å; I381-F442 HydrophobicContact CG2-CE2 3.91Å; I381-F442 HydrophobicContact CG2-CZ 3.63Å; I381-F442 WeakPolarHBondContact O-CE2 3.46Å
382	L	98.4	Very high	98.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-73.8	-11.6	-179.2	-69	171.8	0	0	0	113.4	P378 I380 L418 L432 L433 S436 K437 R438 A439 F442	P378-L382 HydrophobicContact CB-CD1 4.44Å; P378-L382 VanDerWaalsContact O-CB 3.25Å; P378-L382 WeakPolarHBondContact O-CB 3.38Å; P378-L382 VanDerWaalsContact O-CG 3.27Å; P378-L382 WeakPolarHBondContact O-CG 3.49Å; P378-L382 PolarHBondContact O-N 2.75Å; I380-L382 PolarHBondContact O-N 3.2Å; L382-L418 HydrophobicContact CD2-CD1 3.7Å; L382-L418 HydrophobicContact CG-CD1 4.16Å; L382-L432 HydrophobicContact CD1-CD2 4.19Å; L382-L432 HydrophobicContact CD1-CG 4.34Å; L382-L433 HydrophobicContact CD1-CD2 4.26Å; L382-L433 HydrophobicContact CD2-CD2 4.25Å; L382-S436 WeakPolarHBondContact CB-OG 3.48Å; L382-S436 CarbonylContact O-C 3.6Å; L382-S436 WeakPolarHBondContact O-CB 3.35Å; L382-K437 PolarHBondContact O-N 3.45Å; L382-R438 WeakPolarHBondContact O-CA 3.29Å; L382-R438 VanDerWaalsContact O-CB 3.31Å; L382-R438 WeakPolarHBondContact O-CB 3.49Å; L382-R438 PolarHBondContact O-N 3.07Å; L382-A439 HydrophobicContact CD2-CB 4.32Å; L382-F442 HydrophobicContact CD2-CD2 4.08Å
383	G	97.5	Very high	98.4	Very high	20 Å²	20	20.3 Å²	20.3	21%	0.206	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	38.7	-179.9	0	0	0	0	0	113.2	E379 I380 I381 K437	E379-G383 PolarHBondContact O-N 2.93Å; I380-G383 PolarHBondContact O-N 2.85Å; I381-G383 PolarHBondContact O-N 3.19Å; G383-K437 PolarHBondContact O-N 2.9Å
384	S	97.4	Very high	98.4	Very high	19 Å²	19	18.6 Å²	18.6	13%	0.133	9%	0.09	C	C	.	.			trans	-88.5	175.9	168.9	-172.8	0	0	0	0	110.6	E379	E379-S384 PolarHBondContact O-N 3.03Å
385	R	96.2	Very high	98.4	Very high	218 Å²	218	17.9 Å²	17.9	82%	0.823	9%	0.087	S	C	*	.			trans	-67.7	135.4	173	-65.8	179.5	70.5	156.9	1	109.1
386	Y	97.8	Very high	98.4	Very high	22 Å²	22	17.6 Å²	17.6	9%	0.086	9%	0.086	C	C	.	.			trans	-121.8	159.4	177.3	73.7	-95.9	0	0	0	112.3	I332 K365 Y367 I370 I380 I390	I332-Y386 HydrophobicContact CD1-CD2 4.24Å; I332-Y386 HydrophobicContact CD1-CE2 4.15Å; K365-Y386 HydrophobicContact CB-CE2 4.48Å; K365-Y386 HydrophobicContact CD-CD2 3.98Å; K365-Y386 HydrophobicContact CD-CE1 4.32Å; K365-Y386 HydrophobicContact CD-CE2 3.56Å; K365-Y386 WeakPolarHBondContact CD-O 3.3Å; K365-Y386 HydrophobicContact CG-CE2 3.87Å; K365-Y386 PolarHBondContact NZ-O 3.22Å; Y367-Y386 WeakPolarHBondContact O-CE1 3.43Å; Y367-Y386 PolarHBondContact O-OH 2.68Å; I370-Y386 HydrophobicContact CD1-CD2 4.07Å; I370-Y386 HydrophobicContact CD1-CE1 4.23Å; I370-Y386 HydrophobicContact CD1-CE2 3.54Å; I380-Y386 VanDerWaalsContact CD1-CB 3.49Å; I380-Y386 HydrophobicContact CD1-CD1 3.46Å; I380-Y386 VanDerWaalsContact CD1-CD1 3.46Å; I380-Y386 HydrophobicContact CD1-CD2 4Å; I380-Y386 HydrophobicContact CD1-CE1 4.12Å; I380-Y386 HydrophobicContact CD1-CG 3.38Å; Y386-I390 HydrophobicContact CD2-CD1 4Å; Y386-I390 HydrophobicContact CE2-CD1 4.42Å
387	S	98.2	Very high	98.5	Very high	22 Å²	22	17.4 Å²	17.4	15%	0.154	9%	0.085	C	C	.	.			trans	-154.1	-160.7	176.5	-173.5	0	0	0	0	109.5	E362 P389 I390	E362-S387 WeakPolarHBondContact CG-OG 3.04Å; E362-S387 WeakPolarHBondContact OE1-CB 3.14Å; E362-S387 PolarHBondContact OE1-OG 3.24Å; S387-P389 VanDerWaalsContact C-N 3.27Å; S387-P389 WeakPolarHBondContact O-CD 3.23Å; S387-P389 VanDerWaalsContact O-N 3.13Å; S387-I390 WeakPolarHBondContact O-CG1 3.48Å; S387-I390 WeakPolarHBondContact O-CG2 3.47Å; S387-I390 PolarHBondContact O-N 3.47Å
388	T	98.5	Very high	98.5	Very high	20 Å²	20	17.4 Å²	17.4	12%	0.123	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-26.2	177.5	61.4	0	0	0	0	116.2	H327 I332 I390 D391	H327-T388 PolarHBondContact CD2-OG1 2.84Å; I332-T388 HydrophobicContact CG1-CG2 3.98Å; T388-I390 PolarHBondContact O-N 2.89Å; T388-D391 PolarHBondContact O-N 2.89Å; T388-D391 VanDerWaalsContact O-N 3.1Å
389	P	98.8	Very high	98.5	Very high	30 Å²	30	17.4 Å²	17.4	20%	0.195	9%	0.085	C	C	.	.	H	α-helix	trans	-63.4	-12.3	176.9	-26	37.4	0	0	0	115.3	S387 D391 I392 W393 P507 R510	S387-P389 VanDerWaalsContact C-N 3.27Å; S387-P389 WeakPolarHBondContact O-CD 3.23Å; S387-P389 VanDerWaalsContact O-N 3.13Å; P389-D391 VanDerWaalsContact C-N 3.29Å; P389-I392 PolarHBondContact O-N 3.28Å; P389-W393 PolarHBondContact O-N 3.34Å; P389-P507 HydrophobicContact CB-CB 3.81Å; P389-P507 WeakPolarHBondContact CB-O 3.22Å; P389-P507 HydrophobicContact CG-CB 4.19Å; P389-R510 PolarHBondContact O-NH1 2.92Å
390	I	98.9	Very high	98.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67.4	-32.5	173.3	72.4	176.4	0	0	0	111.8	I332 I370 Q371 A377 E379 I380 Y386 S387 T388 I392 W393 S394	I332-I390 HydrophobicContact CG2-CD1 3.57Å; I332-I390 HydrophobicContact CG2-CG1 3.67Å; I370-I390 HydrophobicContact CD1-CD1 3.63Å; Q371-I390 HydrophobicContact CG-CD1 4.24Å; Q371-I390 PolarHBondContact NE2-O 3.39Å; A377-I390 HydrophobicContact CB-CB 3.85Å; A377-I390 HydrophobicContact CB-CG2 3.81Å; E379-I390 HydrophobicContact CG-CG2 4.06Å; E379-I390 VanDerWaalsContact OE1-CG2 3.3Å; E379-I390 WeakPolarHBondContact OE1-CG2 3.32Å; I380-I390 HydrophobicContact CD1-CD1 4.42Å; I380-I390 HydrophobicContact CD1-CG2 4.1Å; I380-I390 HydrophobicContact CG1-CG2 4.11Å; Y386-I390 HydrophobicContact CD2-CD1 4Å; Y386-I390 HydrophobicContact CE2-CD1 4.42Å; S387-I390 WeakPolarHBondContact O-CG1 3.48Å; S387-I390 WeakPolarHBondContact O-CG2 3.47Å; S387-I390 PolarHBondContact O-N 3.47Å; T388-I390 PolarHBondContact O-N 2.89Å; I390-I392 VanDerWaalsContact C-N 3.34Å; I390-W393 WeakPolarHBondContact O-CB 3.46Å; I390-W393 PolarHBondContact O-N 3.22Å; I390-S394 PolarHBondContact O-N 2.9Å; I390-S394 VanDerWaalsContact O-N 3.08Å; I390-S394 PolarHBondContact O-OG 2.84Å
391	D	98.9	Very high	98.5	Very high	5 Å²	5	17.2 Å²	17.2	3%	0.027	9%	0.085	C	C	.	.	H	α-helix	trans	-75.1	-30.1	179.9	-63.5	-34.6	0	0	0	110.8	L323 H333 C334 T388 P389 S394 F395	L323-D391 HydrophobicContact CD2-CB 4.06Å; H333-D391 PolarHBondContact N-OD2 2.84Å; C334-D391 PolarHBondContact N-OD1 3.47Å; C334-D391 VanDerWaalsContact N-OD1 3.13Å; T388-D391 PolarHBondContact O-N 2.89Å; T388-D391 VanDerWaalsContact O-N 3.1Å; P389-D391 VanDerWaalsContact C-N 3.29Å; D391-S394 PolarHBondContact O-N 2.89Å; D391-F395 VanDerWaalsContact O-CB 3.24Å; D391-F395 WeakPolarHBondContact O-CB 3.13Å; D391-F395 PolarHBondContact O-N 2.85Å
392	I	98.9	Very high	98.5	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-67.2	-37.6	171.4	-71.8	-73.4	0	0	0	111.3	L323 P389 I390 F395 G396 C502 R510 L511 P513	L323-I392 HydrophobicContact CD1-CD1 4.31Å; P389-I392 PolarHBondContact O-N 3.28Å; I390-I392 VanDerWaalsContact C-N 3.34Å; I392-F395 WeakPolarHBondContact O-CB 3.47Å; I392-F395 PolarHBondContact O-N 2.89Å; I392-G396 PolarHBondContact O-N 3.08Å; I392-C502 HydrophobicContact CG2-CB 3.99Å; I392-R510 HydrophobicContact CG2-CB 4.22Å; I392-L511 VanDerWaalsContact CG1-O 3.26Å; I392-L511 WeakPolarHBondContact CG1-O 3.25Å; I392-L511 WeakPolarHBondContact CG2-O 3.46Å; I392-P513 HydrophobicContact CD1-CG 4.02Å; I392-P513 HydrophobicContact CG1-CG 4.48Å
393	W	98.9	Very high	98.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.2	-51.4	172.5	177.5	-79.8	0	0	0	110.9	R376 A377 P378 P389 I390 F395 G396 C397 F409 M421 L425 L503	R376-W393 PolarHBondContact O-NE1 2.76Å; A377-W393 HydrophobicContact CB-CB 3.85Å; A377-W393 HydrophobicContact CB-CD2 4.38Å; A377-W393 HydrophobicContact CB-CG 3.8Å; P378-W393 VanDerWaalsContact CD-CE3 3.47Å; P378-W393 HydrophobicContact CG-CE3 4.08Å; P378-W393 HydrophobicContact CG-CH2 3.95Å; P378-W393 HydrophobicContact CG-CZ2 4.48Å; P378-W393 HydrophobicContact CG-CZ3 3.73Å; P389-W393 PolarHBondContact O-N 3.34Å; I390-W393 WeakPolarHBondContact O-CB 3.46Å; I390-W393 PolarHBondContact O-N 3.22Å; W393-F395 VanDerWaalsContact C-N 3.26Å; W393-F395 PolarHBondContact O-N 3.06Å; W393-G396 PolarHBondContact O-N 3.1Å; W393-G396 VanDerWaalsContact O-N 3.11Å; W393-C397 PolarHBondContact O-N 3.32Å; W393-C397 VanDerWaalsContact O-N 3.07Å; W393-F409 HydrophobicContact CH2-CE2 4.45Å; W393-F409 HydrophobicContact CZ2-CD2 4.24Å; W393-F409 AromaticContact CZ2-CE2 3.83Å; W393-F409 HydrophobicContact CZ2-CE2 3.83Å; W393-M421 HydrophobicContact CH2-CG 4.24Å; W393-M421 HydrophobicContact CH2-SD 4.11Å; W393-M421 HydrophobicContact CZ2-CE 3.57Å; W393-M421 HydrophobicContact CZ2-CG 3.84Å; W393-M421 HydrophobicContact CZ2-SD 3.69Å; W393-L425 HydrophobicContact CH2-CD1 3.55Å; W393-L425 HydrophobicContact CZ2-CD1 4.48Å; W393-L425 HydrophobicContact CZ3-CD1 4.14Å; W393-L503 HydrophobicContact CD2-CD2 3.77Å; W393-L503 HydrophobicContact CE3-CB 4.42Å; W393-L503 HydrophobicContact CE3-CD2 3.94Å; W393-L503 HydrophobicContact CG-CD2 4.2Å; W393-L503 HydrophobicContact CH2-CD2 4.47Å; W393-L503 HydrophobicContact CZ2-CD2 4.28Å; W393-L503 HydrophobicContact CZ3-CB 4.21Å; W393-L503 HydrophobicContact CZ3-CD2 4.31Å; W393-L503 WeakPolarHBondContact CZ3-O 3.43Å
394	S	98.9	Very high	98.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-55.6	-44.2	176.3	-58.8	0	0	0	0	111.7	L336 Q371 Y375 I390 D391 G396 C397 I398	L336-S394 WeakPolarHBondContact O-CB 3.45Å; Q371-S394 PolarHBondContact NE2-OG 3.37Å; Y375-S394 WeakPolarHBondContact O-CA 3.46Å; Y375-S394 PolarHBondContact O-OG 2.98Å; I390-S394 PolarHBondContact O-N 2.9Å; I390-S394 VanDerWaalsContact O-N 3.08Å; I390-S394 PolarHBondContact O-OG 2.84Å; D391-S394 PolarHBondContact O-N 2.89Å; S394-G396 PolarHBondContact O-N 3.31Å; S394-C397 WeakPolarHBondContact O-CB 3.26Å; S394-C397 PolarHBondContact O-N 2.67Å; S394-I398 WeakPolarHBondContact O-CD1 3.34Å; S394-I398 WeakPolarHBondContact O-CG1 3.32Å; S394-I398 PolarHBondContact O-N 2.97Å
395	F	98.9	Very high	98.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.7	-45.8	176	171.3	-110.9	0	0	0	112.6	A316 I319 L320 L323 L336 D391 I392 W393 C397 I398 L399 F498	A316-F395 HydrophobicContact CB-CE2 4.25Å; A316-F395 HydrophobicContact CB-CZ 3.88Å; I319-F395 HydrophobicContact CB-CD2 4.27Å; I319-F395 HydrophobicContact CB-CE2 4Å; I319-F395 HydrophobicContact CD1-CE2 4.34Å; I319-F395 HydrophobicContact CG2-CD2 3.72Å; I319-F395 HydrophobicContact CG2-CE2 3.96Å; L320-F395 HydrophobicContact CD1-CE1 4.36Å; L320-F395 HydrophobicContact CD1-CZ 3.99Å; L320-F395 HydrophobicContact CD2-CD1 4.49Å; L320-F395 HydrophobicContact CD2-CE1 3.89Å; L320-F395 HydrophobicContact CD2-CZ 3.97Å; L320-F395 HydrophobicContact CG-CE1 4.08Å; L320-F395 HydrophobicContact CG-CE2 4.28Å; L320-F395 HydrophobicContact CG-CZ 3.65Å; L323-F395 HydrophobicContact CD1-CB 3.93Å; L323-F395 HydrophobicContact CD1-CD2 4.29Å; L323-F395 HydrophobicContact CD1-CG 4.07Å; L336-F395 HydrophobicContact CD2-CB 4.12Å; D391-F395 VanDerWaalsContact O-CB 3.24Å; D391-F395 WeakPolarHBondContact O-CB 3.13Å; D391-F395 PolarHBondContact O-N 2.85Å; I392-F395 WeakPolarHBondContact O-CB 3.47Å; I392-F395 PolarHBondContact O-N 2.89Å; W393-F395 VanDerWaalsContact C-N 3.26Å; W393-F395 PolarHBondContact O-N 3.06Å; F395-C397 PolarHBondContact O-N 3.4Å; F395-I398 PolarHBondContact O-N 3Å; F395-L399 HydrophobicContact CD1-CD1 4.37Å; F395-L399 HydrophobicContact CD2-CD2 4.41Å; F395-L399 HydrophobicContact CD2-CG 4.27Å; F395-L399 HydrophobicContact CE1-CD1 3.74Å; F395-L399 HydrophobicContact CE1-CG 4.41Å; F395-L399 HydrophobicContact CE2-CD1 3.97Å; F395-L399 HydrophobicContact CE2-CD2 3.82Å; F395-L399 HydrophobicContact CE2-CG 3.93Å; F395-L399 HydrophobicContact CZ-CD1 3.53Å; F395-L399 HydrophobicContact CZ-CD2 4.18Å; F395-L399 HydrophobicContact CZ-CG 4.03Å; F395-L399 WeakPolarHBondContact O-CG 3.39Å; F395-L399 PolarHBondContact O-N 3.49Å; F395-F498 AromaticContact CE1-CE1 3.57Å; F395-F498 HydrophobicContact CE1-CE1 3.57Å; F395-F498 AromaticContact CE1-CZ 3.7Å; F395-F498 HydrophobicContact CE1-CZ 3.7Å; F395-F498 HydrophobicContact CZ-CE1 4.13Å; F395-F498 HydrophobicContact CZ-CZ 4.24Å
396	G	98.9	Very high	98.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-57	-47.9	173.8	0	0	0	0	0	112.2	I392 W393 S394 I398 L399 A400 L499	I392-G396 PolarHBondContact O-N 3.08Å; W393-G396 PolarHBondContact O-N 3.1Å; W393-G396 VanDerWaalsContact O-N 3.11Å; S394-G396 PolarHBondContact O-N 3.31Å; G396-I398 VanDerWaalsContact C-N 3.34Å; G396-I398 PolarHBondContact O-N 2.96Å; G396-L399 PolarHBondContact O-N 2.83Å; G396-A400 PolarHBondContact O-N 3.03Å; G396-L499 WeakPolarHBondContact O-CD1 3.28Å
397	C	98.9	Very high	98.8	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.007	6%	0.057	C	C	.	.	H	α-helix	trans	-58.2	-44.9	175.5	-66.2	0	0	0	0	112.4	Y375 W393 S394 F395 L399 A400 E401	Y375-C397 HydrophobicContact CD1-CB 3.77Å; Y375-C397 HydrophobicContact CE1-CB 4.49Å; W393-C397 PolarHBondContact O-N 3.32Å; W393-C397 VanDerWaalsContact O-N 3.07Å; S394-C397 WeakPolarHBondContact O-CB 3.26Å; S394-C397 PolarHBondContact O-N 2.67Å; F395-C397 PolarHBondContact O-N 3.4Å; C397-L399 PolarHBondContact O-N 2.81Å; C397-A400 PolarHBondContact O-N 3.05Å; C397-E401 PolarHBondContact O-N 3.28Å; C397-E401 VanDerWaalsContact O-N 3.08Å
398	I	98.9	Very high	98.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.1	-43.6	179.5	-68.8	162.1	0	0	0	111.2	L336 P338 I341 Y375 S394 F395 G396 A400 E401 L402	L336-I398 HydrophobicContact CB-CD1 4.49Å; L336-I398 HydrophobicContact CD2-CD1 3.96Å; L336-I398 HydrophobicContact CG-CD1 3.78Å; P338-I398 HydrophobicContact CG-CG1 4.21Å; P338-I398 HydrophobicContact CG-CG2 4.4Å; I341-I398 HydrophobicContact CD1-CD1 3.95Å; I341-I398 HydrophobicContact CD1-CG2 4.25Å; Y375-I398 HydrophobicContact CD1-CG1 3.77Å; Y375-I398 HydrophobicContact CE1-CG1 3.88Å; S394-I398 WeakPolarHBondContact O-CD1 3.34Å; S394-I398 WeakPolarHBondContact O-CG1 3.32Å; S394-I398 PolarHBondContact O-N 2.97Å; F395-I398 PolarHBondContact O-N 3Å; G396-I398 VanDerWaalsContact C-N 3.34Å; G396-I398 PolarHBondContact O-N 2.96Å; I398-A400 VanDerWaalsContact C-N 3.35Å; I398-A400 PolarHBondContact O-N 3.07Å; I398-E401 PolarHBondContact O-N 3.42Å; I398-L402 HydrophobicContact CG2-CD1 3.9Å; I398-L402 HydrophobicContact CG2-CG 4.26Å; I398-L402 VanDerWaalsContact O-CG 3.3Å; I398-L402 WeakPolarHBondContact O-CG 3.36Å; I398-L402 PolarHBondContact O-N 2.86Å
399	L	98.9	Very high	98.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.6	-39.5	-179.8	-66.4	-171.4	0	0	0	112.6	V312 A316 F395 G396 C397 E401 L402 L403 F495 F498 L499 W521	V312-L399 HydrophobicContact CG1-CB 4.18Å; V312-L399 HydrophobicContact CG1-CD2 3.94Å; A316-L399 HydrophobicContact CB-CD1 3.99Å; A316-L399 HydrophobicContact CB-CD2 3.78Å; F395-L399 HydrophobicContact CD1-CD1 4.37Å; F395-L399 HydrophobicContact CD2-CD2 4.41Å; F395-L399 HydrophobicContact CD2-CG 4.27Å; F395-L399 HydrophobicContact CE1-CD1 3.74Å; F395-L399 HydrophobicContact CE1-CG 4.41Å; F395-L399 HydrophobicContact CE2-CD1 3.97Å; F395-L399 HydrophobicContact CE2-CD2 3.82Å; F395-L399 HydrophobicContact CE2-CG 3.93Å; F395-L399 HydrophobicContact CZ-CD1 3.53Å; F395-L399 HydrophobicContact CZ-CD2 4.18Å; F395-L399 HydrophobicContact CZ-CG 4.03Å; F395-L399 WeakPolarHBondContact O-CG 3.39Å; F395-L399 PolarHBondContact O-N 3.49Å; G396-L399 PolarHBondContact O-N 2.83Å; C397-L399 PolarHBondContact O-N 2.81Å; L399-E401 VanDerWaalsContact C-N 3.31Å; L399-L402 HydrophobicContact CD2-CD1 4.28Å; L399-L402 PolarHBondContact O-N 3.39Å; L399-L403 PolarHBondContact O-N 3.11Å; L399-F495 HydrophobicContact CB-CE2 4.11Å; L399-F495 HydrophobicContact CB-CZ 4.25Å; L399-F495 HydrophobicContact CD1-CE2 4.39Å; L399-F498 HydrophobicContact CD1-CD1 4.13Å; L399-F498 HydrophobicContact CD1-CE1 3.62Å; L399-L499 HydrophobicContact CB-CD1 4.12Å; L399-W521 HydrophobicContact CD1-CH2 3.91Å; L399-W521 HydrophobicContact CD1-CZ3 3.75Å
400	A	98.9	Very high	98.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.9	-39	175.3	0	0	0	0	0	111.7	G396 C397 I398 L403 T404 L408 L487 L499	G396-A400 PolarHBondContact O-N 3.03Å; C397-A400 PolarHBondContact O-N 3.05Å; I398-A400 VanDerWaalsContact C-N 3.35Å; I398-A400 PolarHBondContact O-N 3.07Å; A400-L403 PolarHBondContact O-N 3.15Å; A400-T404 WeakPolarHBondContact O-CB 3.44Å; A400-T404 WeakPolarHBondContact O-CG2 2.95Å; A400-T404 PolarHBondContact O-N 3.38Å; A400-T404 PolarHBondContact O-OG1 3.03Å; A400-L408 HydrophobicContact CB-CB 3.9Å; A400-L408 HydrophobicContact CB-CD1 4.2Å; A400-L408 HydrophobicContact CB-CD2 3.85Å; A400-L408 HydrophobicContact CB-CG 4.21Å; A400-L487 HydrophobicContact CB-CD2 4.05Å; A400-L499 HydrophobicContact CB-CD1 4.46Å; A400-L499 HydrophobicContact CB-CD2 3.91Å
401	E	98.8	Very high	98.7	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-70.5	-39.5	177.2	-179.9	163.5	-176	0	0	112.6	I299 Y375 C397 I398 L399 L403 T404 G405 Q406	I299-E401 HydrophobicContact CD1-CG 4.01Å; Y375-E401 WeakPolarHBondContact CE1-OE2 3.44Å; Y375-E401 PolarHBondContact OH-OE2 3.36Å; C397-E401 PolarHBondContact O-N 3.28Å; C397-E401 VanDerWaalsContact O-N 3.08Å; I398-E401 PolarHBondContact O-N 3.42Å; L399-E401 VanDerWaalsContact C-N 3.31Å; E401-L403 VanDerWaalsContact C-N 3.28Å; E401-L403 PolarHBondContact O-N 3.31Å; E401-T404 PolarHBondContact O-N 2.96Å; E401-G405 WeakPolarHBondContact O-CA 3.37Å; E401-G405 PolarHBondContact O-N 3.4Å; E401-Q406 WeakPolarHBondContact CA-O 3.44Å
402	L	98.9	Very high	98.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.4	-39.9	172	-71.2	169.7	0	0	0	111.6	L295 I299 F307 V312 F315 I398 L399	L295-L402 HydrophobicContact CB-CD2 4.25Å; L295-L402 HydrophobicContact CD1-CD1 4.13Å; L295-L402 HydrophobicContact CD1-CD2 4.14Å; I299-L402 HydrophobicContact CD1-CD2 3.99Å; I299-L402 HydrophobicContact CG1-CD2 4.1Å; F307-L402 WeakPolarHBondContact CB-O 3.47Å; F307-L402 HydrophobicContact CD2-CB 4.21Å; F307-L402 HydrophobicContact CD2-CD2 3.94Å; F307-L402 WeakPolarHBondContact CD2-O 3.37Å; F307-L402 HydrophobicContact CE2-CD2 3.86Å; F307-L402 PolarHBondContact N-O 2.83Å; V312-L402 HydrophobicContact CG1-CB 4.37Å; V312-L402 HydrophobicContact CG2-CB 4.02Å; F315-L402 HydrophobicContact CB-CD1 4.11Å; F315-L402 HydrophobicContact CD2-CD1 4.11Å; F315-L402 HydrophobicContact CD2-CD2 4.45Å; F315-L402 HydrophobicContact CG-CD1 4.4Å; I398-L402 HydrophobicContact CG2-CD1 3.9Å; I398-L402 HydrophobicContact CG2-CG 4.26Å; I398-L402 VanDerWaalsContact O-CG 3.3Å; I398-L402 WeakPolarHBondContact O-CG 3.36Å; I398-L402 PolarHBondContact O-N 2.86Å; L399-L402 HydrophobicContact CD2-CD1 4.28Å; L399-L402 PolarHBondContact O-N 3.39Å
403	L	98.9	Very high	98.6	Very high	25 Å²	25	12.8 Å²	12.8	13%	0.131	7%	0.069	C	C	.	.	H	α-helix	trans	-68.3	-44.9	177.4	178.3	67.6	0	0	0	112.2	G306 F307 V309 V312 L399 A400 E401 L487 C490 F495	G306-L403 WeakPolarHBondContact CA-O 3.19Å; F307-L403 PolarHBondContact N-O 2.85Å; F307-L403 WeakPolarHBondContact O-CD1 3.33Å; V309-L403 HydrophobicContact CB-CD1 4.33Å; V312-L403 HydrophobicContact CG2-CB 4.19Å; L399-L403 PolarHBondContact O-N 3.11Å; A400-L403 PolarHBondContact O-N 3.15Å; E401-L403 VanDerWaalsContact C-N 3.28Å; E401-L403 PolarHBondContact O-N 3.31Å; L403-L487 HydrophobicContact CD2-CB 4.37Å; L403-L487 HydrophobicContact CD2-CD2 4.44Å; L403-C490 HydrophobicContact CD2-CB 3.85Å; L403-F495 HydrophobicContact CB-CE1 4.47Å; L403-F495 HydrophobicContact CB-CZ 4.47Å; L403-F495 HydrophobicContact CD2-CD1 3.9Å; L403-F495 HydrophobicContact CD2-CE1 3.34Å; L403-F495 HydrophobicContact CD2-CZ 4.13Å; L403-F495 HydrophobicContact CG-CE1 4.47Å
404	T	98.8	Very high	98.5	Very high	4 Å²	4	14.5 Å²	14.5	3%	0.025	8%	0.076	C	C	.	.	H	α-helix	trans	-99.1	-15.4	-167.7	62.6	0	0	0	0	114.1	A400 E401 Q406 L487 K488	A400-T404 WeakPolarHBondContact O-CB 3.44Å; A400-T404 WeakPolarHBondContact O-CG2 2.95Å; A400-T404 PolarHBondContact O-N 3.38Å; A400-T404 PolarHBondContact O-OG1 3.03Å; E401-T404 PolarHBondContact O-N 2.96Å; T404-Q406 VanDerWaalsContact C-N 3.26Å; T404-Q406 PolarHBondContact O-N 3.37Å; T404-Q406 PolarHBondContact OG1-N 3.39Å; T404-Q406 PolarHBondContact OG1-O 2.86Å; T404-Q406 VanDerWaalsContact OG1-O 3.05Å; T404-L487 HydrophobicContact CG2-CD2 4.34Å; T404-K488 HydrophobicContact CG2-CG 4.24Å; T404-K488 WeakPolarHBondContact O-CE 3.4Å; T404-K488 PolarHBondContact O-NZ 3.14Å
405	G	98.5	Very high	98.5	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.01	9%	0.09	C	C	.	.	S	Bend	trans	73.8	8.4	-171.1	0	0	0	0	0	114.7	F304 E401	F304-G405 WeakPolarHBondContact CD1-O 3.44Å; E401-G405 WeakPolarHBondContact O-CA 3.37Å; E401-G405 PolarHBondContact O-N 3.4Å
406	Q	98.1	Very high	98.4	Very high	89 Å²	89	16.3 Å²	16.3	42%	0.416	9%	0.093	S	C	.	.	S	Bend	trans	-141.1	148	-179.4	65.4	-173	17.2	0	0	111.7	E401 T404 L408 K488	E401-Q406 WeakPolarHBondContact CA-O 3.44Å; T404-Q406 VanDerWaalsContact C-N 3.26Å; T404-Q406 PolarHBondContact O-N 3.37Å; T404-Q406 PolarHBondContact OG1-N 3.39Å; T404-Q406 PolarHBondContact OG1-O 2.86Å; T404-Q406 VanDerWaalsContact OG1-O 3.05Å; Q406-L408 PolarHBondContact O-N 2.81Å; Q406-K488 VanDerWaalsContact CD-CE 3.47Å
407	P	98.7	Very high	98.4	Very high	13 Å²	13	16.3 Å²	16.3	8%	0.084	9%	0.093	C	C	.	.			trans	-58.2	135.4	178	-23.5	30.9	0	0	0	112.1	Y32 F374 P410	Y32-P407 HydrophobicContact CE1-CG 4.43Å; Y32-P407 WeakPolarHBondContact OH-CD 3.34Å; Y32-P407 WeakPolarHBondContact OH-CG 3.35Å; F374-P407 HydrophobicContact CB-CB 4.37Å; F374-P407 HydrophobicContact CD2-CB 3.89Å; F374-P407 HydrophobicContact CD2-CG 3.82Å; F374-P407 HydrophobicContact CE2-CB 4.48Å; F374-P407 HydrophobicContact CE2-CG 4.07Å; F374-P407 HydrophobicContact CG-CB 4.25Å; P407-P410 HydrophobicContact CB-CB 4.32Å
408	L	98.8	Very high	98.4	Very high	23 Å²	23	16.4 Å²	16.4	12%	0.12	9%	0.093	C	C	.	.	S	Bend	trans	-65.4	-39.9	179.6	-177.3	62.5	0	0	0	112.2	A400 Q406 P410 L424 A486 L503	A400-L408 HydrophobicContact CB-CB 3.9Å; A400-L408 HydrophobicContact CB-CD1 4.2Å; A400-L408 HydrophobicContact CB-CD2 3.85Å; A400-L408 HydrophobicContact CB-CG 4.21Å; Q406-L408 PolarHBondContact O-N 2.81Å; L408-P410 WeakPolarHBondContact O-CD 3.43Å; L408-L424 HydrophobicContact CD1-CD2 3.91Å; L408-L424 HydrophobicContact CD2-CD2 4.32Å; L408-L424 HydrophobicContact CG-CD2 4.25Å; L408-A486 HydrophobicContact CD1-CB 4.15Å; L408-L503 HydrophobicContact CD2-CD1 3.53Å
409	F	98.8	Very high	98.4	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.009	9%	0.093	C	C	.	.	S	Bend	trans	-125.4	81.2	-179.2	-57	-55	0	0	0	110.7	F374 W393 G411 Q417 C420 M421 L424 L425 L503	F374-F409 WeakPolarHBondContact CD1-O 3.21Å; W393-F409 HydrophobicContact CH2-CE2 4.45Å; W393-F409 HydrophobicContact CZ2-CD2 4.24Å; W393-F409 AromaticContact CZ2-CE2 3.83Å; W393-F409 HydrophobicContact CZ2-CE2 3.83Å; F409-G411 VanDerWaalsContact C-N 3.32Å; F409-G411 PolarHBondContact O-N 2.74Å; F409-G411 VanDerWaalsContact O-N 3.08Å; F409-Q417 PolarHBondContact O-NE2 2.91Å; F409-Q417 PolarHBondContact O-OE1 2.96Å; F409-C420 HydrophobicContact CB-CB 4.06Å; F409-C420 HydrophobicContact CD1-CB 4Å; F409-C420 HydrophobicContact CG-CB 4.47Å; F409-M421 HydrophobicContact CD1-CG 4.44Å; F409-M421 HydrophobicContact CD2-CG 4.3Å; F409-M421 HydrophobicContact CE2-CG 4.45Å; F409-M421 HydrophobicContact CG-CG 4.3Å; F409-L424 HydrophobicContact CE1-CB 3.96Å; F409-L424 HydrophobicContact CE1-CD2 3.63Å; F409-L424 HydrophobicContact CE1-CG 4.39Å; F409-L424 HydrophobicContact CZ-CD2 3.83Å; F409-L425 HydrophobicContact CZ-CD1 4.06Å; F409-L425 HydrophobicContact CZ-CG 4.22Å; F409-L503 HydrophobicContact CE2-CD1 4.22Å; F409-L503 HydrophobicContact CE2-CD2 4.36Å; F409-L503 HydrophobicContact CZ-CD1 4.44Å
410	P	98.3	Very high	98.4	Very high	49 Å²	49	16.7 Å²	16.7	32%	0.318	10%	0.095	S	C	.	.			trans	-86.2	67.2	-176.9	34.9	-35	0	0	0	111.5	F374 P407 L408 R475	F374-P410 HydrophobicContact CE1-CB 4.48Å; P407-P410 HydrophobicContact CB-CB 4.32Å; L408-P410 WeakPolarHBondContact O-CD 3.43Å; P410-R475 PolarHBondContact O-NH2 3.08Å
411	G	97.9	Very high	98.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.			trans	-78	142.2	179.8	0	0	0	0	0	113.8	R373 F374 F409 D416 Q417	R373-G411 WeakPolarHBondContact CD-O 3.36Å; F374-G411 VanDerWaalsContact CE1-O 3.31Å; F374-G411 WeakPolarHBondContact CE1-O 3.41Å; F409-G411 VanDerWaalsContact C-N 3.32Å; F409-G411 PolarHBondContact O-N 2.74Å; F409-G411 VanDerWaalsContact O-N 3.08Å; G411-D416 WeakPolarHBondContact CA-OD2 3.45Å; G411-Q417 VanDerWaalsContact CA-OE1 3.23Å
412	E	96.8	Very high	98.4	Very high	15 Å²	15	16.8 Å²	16.8	7%	0.07	10%	0.095	C	C	.	.	S	Bend	trans	-76.9	-34.3	-179.5	-75.3	168.7	-163	0	0	114.1	D416 S469 R470 R471	E412-D416 HydrophobicContact CB-CB 4.24Å; E412-D416 PolarHBondContact N-OD2 2.76Å; E412-S469 WeakPolarHBondContact OE1-CB 3.33Å; E412-S469 PolarHBondContact OE1-OG 3.34Å; E412-S469 VanDerWaalsContact OE2-CB 3.24Å; E412-S469 WeakPolarHBondContact OE2-CB 3.47Å; E412-S469 PolarHBondContact OE2-OG 3.41Å; E412-S469 VanDerWaalsContact OE2-OG 3.11Å; E412-R470 PolarHBondContact OE2-N 2.91Å; E412-R470 VanDerWaalsContact OE2-N 3.07Å; E412-R471 VanDerWaalsContact OE1-CB 3.28Å; E412-R471 WeakPolarHBondContact OE1-CB 3.16Å; E412-R471 IonicContact OE1-CZ 3.6Å; E412-R471 IonicContact OE1-NE 3.23Å; E412-R471 PolarHBondContact OE1-NE 3.23Å; E412-R471 IonicContact OE1-NH2 2.89Å; E412-R471 PolarHBondContact OE2-N 2.89Å; E412-R471 IonicContact OE2-NE 3.69Å
413	D	97.4	Very high	98.4	Very high	46 Å²	46	17.6 Å²	17.6	25%	0.246	10%	0.099	C	C	.	.	S	Bend	trans	-147.4	-178.8	178.7	49.4	60.9	0	0	0	109	G415 D416 Q417 R470	D413-G415 PolarHBondContact O-N 3.2Å; D413-G415 PolarHBondContact OD1-N 3.21Å; D413-G415 VanDerWaalsContact OD1-N 3.08Å; D413-D416 PolarHBondContact O-N 3.02Å; D413-D416 PolarHBondContact OD1-N 3.2Å; D413-Q417 WeakPolarHBondContact O-CB 3.43Å; D413-Q417 PolarHBondContact O-N 3.01Å; D413-R470 IonicContact OD2-CZ 2.81Å; D413-R470 VanDerWaalsContact OD2-CZ 3.23Å; D413-R470 IonicContact OD2-NE 3.98Å; D413-R470 PolarHBondContact OD2-NE 3.07Å; D413-R470 IonicContact OD2-NH2 2.81Å; D413-R470 PolarHBondContact OD2-NH2 3.22Å
414	E	97.5	Very high	98.4	Very high	35 Å²	35	16.8 Å²	16.8	16%	0.164	10%	0.095	C	C	.	.	H	α-helix	trans	-59.9	-34.4	-178.7	-67.5	-174.6	126.8	0	0	113.2	Y369 I381 L418 R438 F442	Y369-E414 WeakPolarHBondContact CD2-OE1 3.35Å; Y369-E414 HydrophobicContact CE2-CG 4.19Å; Y369-E414 WeakPolarHBondContact CE2-OE1 3.33Å; I381-E414 HydrophobicContact CG2-CB 4.15Å; E414-L418 PolarHBondContact O-N 2.86Å; E414-L418 VanDerWaalsContact O-N 3.14Å; E414-R438 IonicContact OE1-CZ 3.6Å; E414-R438 IonicContact OE1-NH1 3.86Å; E414-R438 PolarHBondContact OE1-NH1 2.98Å; E414-R438 IonicContact OE1-NH2 2.8Å; E414-R438 IonicContact OE2-CZ 2.82Å; E414-R438 IonicContact OE2-NH1 3.02Å; E414-R438 PolarHBondContact OE2-NH1 3.42Å; E414-R438 IonicContact OE2-NH2 3.57Å; E414-R438 PolarHBondContact OE2-NH2 3.35Å; E414-F442 HydrophobicContact CB-CE1 4.5Å; E414-F442 HydrophobicContact CB-CZ 4.48Å
415	G	98.1	Very high	98.4	Very high	27 Å²	27	18.4 Å²	18.4	28%	0.278	10%	0.103	S	C	.	.	H	α-helix	trans	-72.2	-48.2	179.5	0	0	0	0	0	112	D413 Q417 L418 A419	D413-G415 PolarHBondContact O-N 3.2Å; D413-G415 PolarHBondContact OD1-N 3.21Å; D413-G415 VanDerWaalsContact OD1-N 3.08Å; G415-Q417 VanDerWaalsContact C-N 3.29Å; G415-Q417 PolarHBondContact O-N 3.19Å; G415-L418 PolarHBondContact O-N 3.05Å; G415-A419 PolarHBondContact O-N 2.66Å
416	D	98.6	Very high	98.4	Very high	12 Å²	12	19 Å²	19	6%	0.064	11%	0.11	C	C	.	.	H	α-helix	trans	-66.7	-31.4	175.9	-172.2	53.1	0	0	0	112.1	G411 E412 D413 A419 C420 R475	G411-D416 WeakPolarHBondContact CA-OD2 3.45Å; E412-D416 HydrophobicContact CB-CB 4.24Å; E412-D416 PolarHBondContact N-OD2 2.76Å; D413-D416 PolarHBondContact O-N 3.02Å; D413-D416 PolarHBondContact OD1-N 3.2Å; D416-A419 WeakPolarHBondContact O-CB 3.33Å; D416-A419 PolarHBondContact O-N 3.22Å; D416-C420 PolarHBondContact O-N 3.13Å; D416-C420 PolarHBondContact O-SG 3.36Å; D416-R475 WeakPolarHBondContact OD1-CG 3.49Å; D416-R475 IonicContact OD1-CZ 2.97Å; D416-R475 IonicContact OD1-NE 2.96Å; D416-R475 PolarHBondContact OD1-NE 3.28Å; D416-R475 IonicContact OD1-NH2 2.8Å; D416-R475 IonicContact OD2-CZ 3.86Å; D416-R475 IonicContact OD2-NE 3.5Å; D416-R475 IonicContact OD2-NH2 2.73Å; D416-R475 PolarHBondContact OD2-NH2 2.92Å
417	Q	98.8	Very high	98.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.2	-46.6	172	-172.9	65.3	32.9	0	0	111	R373 I381 F409 G411 D413 G415 A419 C420 M421	R373-Q417 HydrophobicContact CG-CB 4.16Å; R373-Q417 HydrophobicContact CG-CG 4.1Å; R373-Q417 PolarHBondContact O-NE2 3.12Å; R373-Q417 PolarHBondContact O-OE1 3.18Å; I381-Q417 HydrophobicContact CD1-CB 4.06Å; I381-Q417 HydrophobicContact CD1-CG 3.7Å; F409-Q417 PolarHBondContact O-NE2 2.91Å; F409-Q417 PolarHBondContact O-OE1 2.96Å; G411-Q417 VanDerWaalsContact CA-OE1 3.23Å; D413-Q417 WeakPolarHBondContact O-CB 3.43Å; D413-Q417 PolarHBondContact O-N 3.01Å; G415-Q417 VanDerWaalsContact C-N 3.29Å; G415-Q417 PolarHBondContact O-N 3.19Å; Q417-A419 VanDerWaalsContact C-N 3.32Å; Q417-A419 PolarHBondContact O-N 3.18Å; Q417-C420 WeakPolarHBondContact O-CB 3.05Å; Q417-C420 PolarHBondContact O-N 2.7Å; Q417-M421 HydrophobicContact CG-CE 3.82Å; Q417-M421 WeakPolarHBondContact O-CG 3.39Å; Q417-M421 PolarHBondContact O-N 3.28Å
418	L	98.6	Very high	98.4	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-65.9	-35.3	175.5	-120.2	-173.1	0	0	0	112.3	I381 L382 E414 G415 M421 M422 F442 W505	I381-L418 HydrophobicContact CG2-CD1 3.87Å; I381-L418 HydrophobicContact CG2-CG 3.99Å; L382-L418 HydrophobicContact CD2-CD1 3.7Å; L382-L418 HydrophobicContact CG-CD1 4.16Å; E414-L418 PolarHBondContact O-N 2.86Å; E414-L418 VanDerWaalsContact O-N 3.14Å; G415-L418 PolarHBondContact O-N 3.05Å; L418-M421 HydrophobicContact CD2-SD 4.15Å; L418-M421 WeakPolarHBondContact O-CB 3.31Å; L418-M421 PolarHBondContact O-N 3.49Å; L418-M422 HydrophobicContact CB-CE 4.19Å; L418-M422 HydrophobicContact CD2-CE 4.28Å; L418-M422 WeakPolarHBondContact O-CE 3.27Å; L418-M422 PolarHBondContact O-N 3.23Å; L418-F442 HydrophobicContact CD1-CB 3.77Å; L418-F442 HydrophobicContact CD1-CD1 3.97Å; L418-F442 HydrophobicContact CD1-CD2 3.91Å; L418-F442 HydrophobicContact CD1-CE2 4.49Å; L418-F442 HydrophobicContact CD1-CG 3.6Å; L418-W505 HydrophobicContact CD2-CH2 3.57Å; L418-W505 HydrophobicContact CD2-CZ3 3.63Å
419	A	98.8	Very high	98.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-61.7	-43	174.2	0	0	0	0	0	111.8	G415 D416 Q417 M421 M422 E423 Y451 R475	G415-A419 PolarHBondContact O-N 2.66Å; D416-A419 WeakPolarHBondContact O-CB 3.33Å; D416-A419 PolarHBondContact O-N 3.22Å; Q417-A419 VanDerWaalsContact C-N 3.32Å; Q417-A419 PolarHBondContact O-N 3.18Å; A419-M421 VanDerWaalsContact C-N 3.31Å; A419-M421 PolarHBondContact O-N 2.64Å; A419-M422 PolarHBondContact O-N 3.32Å; A419-E423 WeakPolarHBondContact O-CB 3.32Å; A419-E423 PolarHBondContact O-N 3.46Å; A419-Y451 HydrophobicContact CB-CD1 3.8Å; A419-Y451 HydrophobicContact CB-CD2 3.73Å; A419-Y451 HydrophobicContact CB-CE1 4.1Å; A419-Y451 HydrophobicContact CB-CE2 4Å; A419-Y451 HydrophobicContact CB-CG 3.62Å; A419-R475 HydrophobicContact CB-CB 4.44Å; A419-R475 HydrophobicContact CB-CG 4.25Å
420	C	98.8	Very high	98.2	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.034	14%	0.142	C	C	.	.	H	α-helix	trans	-59.6	-41.8	174	-64.4	0	0	0	0	112.1	F409 D416 Q417 R475	F409-C420 HydrophobicContact CB-CB 4.06Å; F409-C420 HydrophobicContact CD1-CB 4Å; F409-C420 HydrophobicContact CG-CB 4.47Å; D416-C420 PolarHBondContact O-N 3.13Å; D416-C420 PolarHBondContact O-SG 3.36Å; Q417-C420 WeakPolarHBondContact O-CB 3.05Å; Q417-C420 PolarHBondContact O-N 2.7Å; C420-R475 PolarHBondContact SG-NH2 3.15Å
421	M	98.9	Very high	98.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-49.3	177.7	-64.3	171	-177.8	0	0	111.1	R376 P378 I381 W393 F409 Q417 L418 A419 E423 L424 L425 W505	R376-M421 WeakPolarHBondContact O-CE 3.48Å; P378-M421 HydrophobicContact CB-SD 4.07Å; I381-M421 HydrophobicContact CD1-CE 3.84Å; I381-M421 HydrophobicContact CD1-SD 4.39Å; W393-M421 HydrophobicContact CH2-CG 4.24Å; W393-M421 HydrophobicContact CH2-SD 4.11Å; W393-M421 HydrophobicContact CZ2-CE 3.57Å; W393-M421 HydrophobicContact CZ2-CG 3.84Å; W393-M421 HydrophobicContact CZ2-SD 3.69Å; F409-M421 HydrophobicContact CD1-CG 4.44Å; F409-M421 HydrophobicContact CD2-CG 4.3Å; F409-M421 HydrophobicContact CE2-CG 4.45Å; F409-M421 HydrophobicContact CG-CG 4.3Å; Q417-M421 HydrophobicContact CG-CE 3.82Å; Q417-M421 WeakPolarHBondContact O-CG 3.39Å; Q417-M421 PolarHBondContact O-N 3.28Å; L418-M421 HydrophobicContact CD2-SD 4.15Å; L418-M421 WeakPolarHBondContact O-CB 3.31Å; L418-M421 PolarHBondContact O-N 3.49Å; A419-M421 VanDerWaalsContact C-N 3.31Å; A419-M421 PolarHBondContact O-N 2.64Å; M421-E423 VanDerWaalsContact C-N 3.34Å; M421-E423 PolarHBondContact O-N 2.75Å; M421-L424 PolarHBondContact O-N 3.01Å; M421-L425 VanDerWaalsContact O-CB 3.27Å; M421-L425 WeakPolarHBondContact O-CB 3.46Å; M421-L425 WeakPolarHBondContact O-CG 3.42Å; M421-L425 PolarHBondContact O-N 3.03Å; M421-W505 HydrophobicContact CB-CH2 3.59Å; M421-W505 HydrophobicContact CB-CZ2 4.09Å; M421-W505 HydrophobicContact CB-CZ3 4.38Å; M421-W505 HydrophobicContact SD-CH2 4.48Å; M421-W505 HydrophobicContact SD-CZ3 4.42Å
422	M	98.8	Very high	98	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.015	16%	0.158	C	C	.	.	H	α-helix	trans	-63.6	-39	-179.6	-73.7	-178	-78.5	0	0	112.4	L418 A419 L424 G426 M427 P449 Y451 P478 G479 W505	L418-M422 HydrophobicContact CB-CE 4.19Å; L418-M422 HydrophobicContact CD2-CE 4.28Å; L418-M422 WeakPolarHBondContact O-CE 3.27Å; L418-M422 PolarHBondContact O-N 3.23Å; A419-M422 PolarHBondContact O-N 3.32Å; M422-L424 PolarHBondContact O-N 3.32Å; M422-G426 WeakPolarHBondContact CA-O 3.48Å; M422-G426 VanDerWaalsContact O-CA 3.31Å; M422-G426 WeakPolarHBondContact O-CA 3.24Å; M422-G426 PolarHBondContact O-N 3.03Å; M422-M427 HydrophobicContact SD-CE 4.49Å; M422-M427 HydrophobicContact SD-SD 3.84Å; M422-P449 HydrophobicContact CE-CB 4.07Å; M422-P449 HydrophobicContact CE-CG 4.5Å; M422-P449 HydrophobicContact SD-CB 3.99Å; M422-P449 HydrophobicContact SD-CG 3.77Å; M422-Y451 HydrophobicContact CB-CE1 4.21Å; M422-Y451 HydrophobicContact CE-CD1 3.73Å; M422-Y451 HydrophobicContact CE-CE1 3.55Å; M422-Y451 HydrophobicContact SD-CE1 4.17Å; M422-P478 HydrophobicContact CB-CB 4.43Å; M422-P478 HydrophobicContact CB-CG 4.49Å; M422-P478 CarbonylContact O-C 3.59Å; M422-P478 VanDerWaalsContact O-CA 3.23Å; M422-P478 WeakPolarHBondContact O-CA 3.41Å; M422-G479 PolarHBondContact O-N 3.29Å; M422-W505 HydrophobicContact CG-CH2 3.89Å; M422-W505 HydrophobicContact CG-CZ2 3.93Å
423	E	98.8	Very high	98	Very high	17 Å²	17	29 Å²	29	8%	0.079	16%	0.163	C	C	.	.	H	α-helix	trans	-55.7	-37.4	177.7	-170.2	-171.8	-157.8	0	0	112.4	A419 M421 G476 G479 S480 K481	A419-E423 WeakPolarHBondContact O-CB 3.32Å; A419-E423 PolarHBondContact O-N 3.46Å; M421-E423 VanDerWaalsContact C-N 3.34Å; M421-E423 PolarHBondContact O-N 2.75Å; E423-G476 PolarHBondContact OE1-N 2.73Å; E423-G479 CarbonylContact O-C 3.58Å; E423-G479 WeakPolarHBondContact O-CA 3.35Å; E423-G479 PolarHBondContact O-N 3.06Å; E423-S480 PolarHBondContact O-N 2.92Å; E423-K481 VanDerWaalsContact CD-CE 3.44Å; E423-K481 HydrophobicContact CG-CB 3.95Å; E423-K481 PolarHBondContact O-N 3.27Å; E423-K481 IonicContact OE1-NZ 3.8Å; E423-K481 PolarHBondContact OE1-NZ 3.18Å; E423-K481 VanDerWaalsContact OE1-NZ 3.11Å; E423-K481 WeakPolarHBondContact OE2-CE 3.36Å; E423-K481 IonicContact OE2-NZ 2.73Å; E423-K481 PolarHBondContact OE2-NZ 3.32Å
424	L	98.8	Very high	98	Very high	9 Å²	9	34.4 Å²	34.4	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-93.7	-41.5	179.4	-179.6	60.5	0	0	0	113.7	L408 F409 M421 M422 K481 W483 A486	L408-L424 HydrophobicContact CD1-CD2 3.91Å; L408-L424 HydrophobicContact CD2-CD2 4.32Å; L408-L424 HydrophobicContact CG-CD2 4.25Å; F409-L424 HydrophobicContact CE1-CB 3.96Å; F409-L424 HydrophobicContact CE1-CD2 3.63Å; F409-L424 HydrophobicContact CE1-CG 4.39Å; F409-L424 HydrophobicContact CZ-CD2 3.83Å; M421-L424 PolarHBondContact O-N 3.01Å; M422-L424 PolarHBondContact O-N 3.32Å; L424-K481 HydrophobicContact CD1-CB 4.48Å; L424-K481 HydrophobicContact CD1-CD 4.44Å; L424-K481 HydrophobicContact CD1-CG 4.45Å; L424-K481 VanDerWaalsContact CD1-O 3.29Å; L424-K481 WeakPolarHBondContact CD1-O 3.42Å; L424-W483 HydrophobicContact CD1-CD2 4.18Å; L424-W483 HydrophobicContact CD1-CG 4.29Å; L424-W483 HydrophobicContact CD2-CH2 4.29Å; L424-W483 HydrophobicContact CD2-CZ2 4.41Å; L424-W483 HydrophobicContact CD2-CZ3 4.34Å; L424-W483 HydrophobicContact CG-CZ2 4.32Å; L424-A486 HydrophobicContact CD1-CB 3.92Å; L424-A486 HydrophobicContact CD2-CB 4.26Å
425	L	98.8	Very high	97.9	Very high	38 Å²	38	38.4 Å²	38.4	20%	0.199	21%	0.205	C	C	.	.	H	α-helix	trans	-99	-4.5	-168.2	-54.8	178.4	0	0	0	113.5	W393 F409 M421 W483 L503 W505	W393-L425 HydrophobicContact CH2-CD1 3.55Å; W393-L425 HydrophobicContact CZ2-CD1 4.48Å; W393-L425 HydrophobicContact CZ3-CD1 4.14Å; F409-L425 HydrophobicContact CZ-CD1 4.06Å; F409-L425 HydrophobicContact CZ-CG 4.22Å; M421-L425 VanDerWaalsContact O-CB 3.27Å; M421-L425 WeakPolarHBondContact O-CB 3.46Å; M421-L425 WeakPolarHBondContact O-CG 3.42Å; M421-L425 PolarHBondContact O-N 3.03Å; L425-W483 HydrophobicContact CD2-CH2 3.92Å; L425-W483 HydrophobicContact CD2-CZ2 3.46Å; L425-W483 VanDerWaalsContact CD2-CZ2 3.46Å; L425-L503 HydrophobicContact CD1-CB 4.45Å; L425-L503 WeakPolarHBondContact CD1-O 3.37Å; L425-W505 HydrophobicContact CB-CZ2 4.06Å; L425-W505 HydrophobicContact CD1-CZ2 4.46Å; L425-W505 PolarHBondContact O-NE1 2.86Å
426	G	98.5	Very high	97.9	Very high	14 Å²	14	37.6 Å²	37.6	14%	0.144	20%	0.195	C	C	.	.			trans	72.6	-168	-170	0	0	0	0	0	112.4	M422 W505	M422-G426 WeakPolarHBondContact CA-O 3.48Å; M422-G426 VanDerWaalsContact O-CA 3.31Å; M422-G426 WeakPolarHBondContact O-CA 3.24Å; M422-G426 PolarHBondContact O-N 3.03Å; G426-W505 VanDerWaalsContact O-CZ2 3.23Å; G426-W505 WeakPolarHBondContact O-CZ2 3.49Å; G426-W505 PolarHBondContact O-NE1 2.67Å
427	M	98.3	Very high	97.9	Very high	71 Å²	71	45.6 Å²	45.6	35%	0.35	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-70.8	142.5	-177.8	-71	-62.4	-70.1	0	0	112.5	M422 I443 G447 P449 P478	M422-M427 HydrophobicContact SD-CE 4.49Å; M422-M427 HydrophobicContact SD-SD 3.84Å; M427-I443 HydrophobicContact CE-CD1 4Å; M427-I443 HydrophobicContact CE-CG1 4.42Å; M427-G447 WeakPolarHBondContact CE-O 3.31Å; M427-P449 HydrophobicContact CE-CG 3.72Å; M427-P449 HydrophobicContact SD-CG 3.27Å; M427-P449 WeakPolarHBondContact SD-CG 3.23Å; M427-P478 HydrophobicContact CG-CB 3.93Å; M427-P478 HydrophobicContact CG-CG 4.1Å; M427-P478 HydrophobicContact SD-CB 3.97Å; M427-P478 HydrophobicContact SD-CG 3.59Å; M427-P478 VanDerWaalsContact SD-CG 3.59Å
428	P	98.1	Very high	97.8	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.032	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-61.4	147.7	165.8	25.4	-33.8	0	0	0	111.2	L432 L433 I443 W505	P428-L432 HydrophobicContact CB-CD2 4.24Å; P428-L433 HydrophobicContact CB-CD2 4.03Å; P428-L433 HydrophobicContact CB-CG 4.4Å; P428-L433 HydrophobicContact CG-CD1 4.22Å; P428-L433 HydrophobicContact CG-CD2 3.64Å; P428-L433 HydrophobicContact CG-CG 4.16Å; P428-I443 HydrophobicContact CG-CD1 3.87Å; P428-W505 HydrophobicContact CB-CD2 3.79Å; P428-W505 HydrophobicContact CB-CE3 3.73Å; P428-W505 HydrophobicContact CB-CG 4.21Å; P428-W505 HydrophobicContact CB-CZ3 4.09Å; P428-W505 HydrophobicContact CG-CZ3 4.45Å
429	P	97.6	Very high	97.8	Very high	52 Å²	52	49.8 Å²	49.8	34%	0.338	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-67.8	145.8	-179.5	27.3	-33.2	0	0	0	111.6	K431 L432 L433 W505	P429-K431 VanDerWaalsContact C-N 3.31Å; P429-K431 PolarHBondContact O-N 3.23Å; P429-L432 HydrophobicContact CG-CB 3.96Å; P429-L432 WeakPolarHBondContact O-CB 3.38Å; P429-L432 PolarHBondContact O-N 3.34Å; P429-L433 PolarHBondContact O-N 3.14Å; P429-W505 VanDerWaalsContact CD-CB 3.49Å; P429-W505 HydrophobicContact CG-CB 4.31Å
430	P	96.4	Very high	97.7	Very high	91 Å²	91	56.1 Å²	56.1	59%	0.591	28%	0.275	S	S	*	.	H	α-helix	trans	-53.8	-42.5	-176.8	-28.4	35.1	0	0	0	114.2	L432 L433 E434	P430-L432 VanDerWaalsContact C-N 3.25Å; P430-L432 PolarHBondContact O-N 3.34Å; P430-L433 WeakPolarHBondContact O-CA 3.17Å; P430-L433 WeakPolarHBondContact O-CB 3.47Å; P430-L433 PolarHBondContact O-N 3.22Å; P430-E434 WeakPolarHBondContact O-CG 3.39Å; P430-E434 PolarHBondContact O-N 2.81Å
431	K	95.6	Very high	97.7	Very high	141 Å²	141	63 Å²	63	61%	0.613	30%	0.301	S	S	*	.	H	α-helix	trans	-56.6	-36.8	178.2	-172.8	177.6	-178.9	-178.6	0	113.1	P429 Q435	P429-K431 VanDerWaalsContact C-N 3.31Å; P429-K431 PolarHBondContact O-N 3.23Å; K431-Q435 VanDerWaalsContact O-CG 3.3Å; K431-Q435 WeakPolarHBondContact O-CG 3.4Å; K431-Q435 PolarHBondContact O-N 3.25Å
432	L	96.4	Very high	97.7	Very high	8 Å²	8	64.2 Å²	64.2	4%	0.042	31%	0.307	C	S	.	.	H	α-helix	trans	-68.8	-39.7	175.6	175.9	62.6	0	0	0	110.8	L382 P428 P429 P430 Q435 S436 W505	L382-L432 HydrophobicContact CD1-CD2 4.19Å; L382-L432 HydrophobicContact CD1-CG 4.34Å; P428-L432 HydrophobicContact CB-CD2 4.24Å; P429-L432 HydrophobicContact CG-CB 3.96Å; P429-L432 WeakPolarHBondContact O-CB 3.38Å; P429-L432 PolarHBondContact O-N 3.34Å; P430-L432 VanDerWaalsContact C-N 3.25Å; P430-L432 PolarHBondContact O-N 3.34Å; L432-Q435 PolarHBondContact O-N 3.47Å; L432-S436 WeakPolarHBondContact O-CB 3.36Å; L432-S436 PolarHBondContact O-N 2.76Å; L432-S436 PolarHBondContact O-OG 3.49Å; L432-W505 HydrophobicContact CD2-CB 4.08Å; L432-W505 HydrophobicContact CD2-CE3 4.45Å
433	L	97.1	Very high	97.6	Very high	33 Å²	33	64.7 Å²	64.7	17%	0.173	31%	0.309	C	S	.	.	H	α-helix	trans	-67.5	-40.2	179.9	-60	-179.9	0	0	0	112.3	L382 P428 P429 P430 Q435 S436 A439 I443	L382-L433 HydrophobicContact CD1-CD2 4.26Å; L382-L433 HydrophobicContact CD2-CD2 4.25Å; P428-L433 HydrophobicContact CB-CD2 4.03Å; P428-L433 HydrophobicContact CB-CG 4.4Å; P428-L433 HydrophobicContact CG-CD1 4.22Å; P428-L433 HydrophobicContact CG-CD2 3.64Å; P428-L433 HydrophobicContact CG-CG 4.16Å; P429-L433 PolarHBondContact O-N 3.14Å; P430-L433 WeakPolarHBondContact O-CA 3.17Å; P430-L433 WeakPolarHBondContact O-CB 3.47Å; P430-L433 PolarHBondContact O-N 3.22Å; L433-Q435 VanDerWaalsContact C-N 3.27Å; L433-Q435 PolarHBondContact O-N 3.49Å; L433-S436 WeakPolarHBondContact O-CB 3.29Å; L433-S436 PolarHBondContact O-N 3.38Å; L433-S436 VanDerWaalsContact O-N 3.11Å; L433-A439 HydrophobicContact CB-CB 4.27Å; L433-A439 HydrophobicContact CD2-CB 4.12Å; L433-I443 HydrophobicContact CD1-CD1 3.45Å; L433-I443 VanDerWaalsContact CD1-CD1 3.45Å; L433-I443 HydrophobicContact CD2-CD1 3.5Å; L433-I443 HydrophobicContact CG-CD1 4.1Å
434	E	96	Very high	97.4	Very high	159 Å²	159	66 Å²	66	74%	0.743	32%	0.317	S	S	*	.	H	α-helix	trans	-60.7	-36.9	176.4	-71.7	164.8	-166.1	0	0	112.2	P430 S436	P430-E434 WeakPolarHBondContact O-CG 3.39Å; P430-E434 PolarHBondContact O-N 2.81Å; E434-S436 VanDerWaalsContact C-N 3.28Å; E434-S436 PolarHBondContact O-N 3.46Å
435	Q	96.5	Very high	97.1	Very high	118 Å²	118	71.6 Å²	71.6	55%	0.551	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-8.1	178.7	-64.9	174.2	-3.7	0	0	113.4	K431 L432 L433	K431-Q435 VanDerWaalsContact O-CG 3.3Å; K431-Q435 WeakPolarHBondContact O-CG 3.4Å; K431-Q435 PolarHBondContact O-N 3.25Å; L432-Q435 PolarHBondContact O-N 3.47Å; L433-Q435 VanDerWaalsContact C-N 3.27Å; L433-Q435 PolarHBondContact O-N 3.49Å
436	S	97.7	Very high	96.8	Very high	10 Å²	10	78 Å²	78	7%	0.07	38%	0.383	C	S	.	.			trans	-99.2	115.4	-170.3	-72.6	0	0	0	0	112.2	L382 L432 L433 E434 R438 A439	L382-S436 WeakPolarHBondContact CB-OG 3.48Å; L382-S436 CarbonylContact O-C 3.6Å; L382-S436 WeakPolarHBondContact O-CB 3.35Å; L432-S436 WeakPolarHBondContact O-CB 3.36Å; L432-S436 PolarHBondContact O-N 2.76Å; L432-S436 PolarHBondContact O-OG 3.49Å; L433-S436 WeakPolarHBondContact O-CB 3.29Å; L433-S436 PolarHBondContact O-N 3.38Å; L433-S436 VanDerWaalsContact O-N 3.11Å; E434-S436 VanDerWaalsContact C-N 3.28Å; E434-S436 PolarHBondContact O-N 3.46Å; S436-R438 PolarHBondContact O-N 3.29Å; S436-A439 PolarHBondContact O-N 3.48Å
437	K	97.8	Very high	96.5	Very high	180 Å²	180	79.4 Å²	79.4	78%	0.783	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.8	-175.2	-63	-178.3	-179.2	-176.9	0	113.9	L382 G383	L382-K437 PolarHBondContact O-N 3.45Å; G383-K437 PolarHBondContact O-N 2.9Å
438	R	98.1	Very high	96.4	Very high	81 Å²	81	77.8 Å²	77.8	31%	0.306	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	1.3	-174.7	-55.5	173.4	68.9	-161.2	2.8	113.2	I381 L382 E414 S436 K440 Y441 F442	I381-R438 PolarHBondContact O-NH1 3.05Å; L382-R438 WeakPolarHBondContact O-CA 3.29Å; L382-R438 VanDerWaalsContact O-CB 3.31Å; L382-R438 WeakPolarHBondContact O-CB 3.49Å; L382-R438 PolarHBondContact O-N 3.07Å; E414-R438 IonicContact OE1-CZ 3.6Å; E414-R438 IonicContact OE1-NH1 3.86Å; E414-R438 PolarHBondContact OE1-NH1 2.98Å; E414-R438 IonicContact OE1-NH2 2.8Å; E414-R438 IonicContact OE2-CZ 2.82Å; E414-R438 IonicContact OE2-NH1 3.02Å; E414-R438 PolarHBondContact OE2-NH1 3.42Å; E414-R438 IonicContact OE2-NH2 3.57Å; E414-R438 PolarHBondContact OE2-NH2 3.35Å; S436-R438 PolarHBondContact O-N 3.29Å; R438-K440 PolarHBondContact O-N 3.1Å; R438-K440 VanDerWaalsContact O-N 3.14Å; R438-Y441 HydrophobicContact CB-CD2 3.96Å; R438-Y441 WeakPolarHBondContact O-CB 3.19Å; R438-Y441 WeakPolarHBondContact O-CD2 3.34Å; R438-Y441 PolarHBondContact O-N 3.33Å; R438-F442 HydrophobicContact CB-CE2 4.11Å; R438-F442 VanDerWaalsContact O-CD2 3.29Å; R438-F442 WeakPolarHBondContact O-CD2 3.39Å
439	A	98.2	Very high	96.3	Very high	10 Å²	10	77.7 Å²	77.7	8%	0.083	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-53.8	-39.3	-176.5	0	0	0	0	0	113.4	L382 L433 S436 Y441 F442 I443	L382-A439 HydrophobicContact CD2-CB 4.32Å; L433-A439 HydrophobicContact CB-CB 4.27Å; L433-A439 HydrophobicContact CD2-CB 4.12Å; S436-A439 PolarHBondContact O-N 3.48Å; A439-Y441 PolarHBondContact O-N 2.99Å; A439-Y441 VanDerWaalsContact O-N 3.07Å; A439-F442 PolarHBondContact O-N 3.08Å; A439-I443 PolarHBondContact O-N 3.03Å
440	K	97.5	Very high	96.3	Very high	134 Å²	134	82 Å²	82	58%	0.583	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-57.3	-22.7	178.7	66.5	-178.7	178	-178.8	0	115	R438 F442 I443 R450	R438-K440 PolarHBondContact O-N 3.1Å; R438-K440 VanDerWaalsContact O-N 3.14Å; K440-F442 VanDerWaalsContact C-N 3.35Å; K440-I443 CarbonylContact C-O 3.53Å; K440-R450 VanDerWaalsContact O-CZ 3.28Å; K440-R450 PolarHBondContact O-NE 3.35Å; K440-R450 PolarHBondContact O-NH2 3.32Å
441	Y	97.9	Very high	96.4	Very high	150 Å²	150	79.8 Å²	79.8	59%	0.588	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-80.8	-16.7	177.5	-62.5	-69.9	0	0	0	113	R438 A439 R450	R438-Y441 HydrophobicContact CB-CD2 3.96Å; R438-Y441 WeakPolarHBondContact O-CB 3.19Å; R438-Y441 WeakPolarHBondContact O-CD2 3.34Å; R438-Y441 PolarHBondContact O-N 3.33Å; A439-Y441 PolarHBondContact O-N 2.99Å; A439-Y441 VanDerWaalsContact O-N 3.07Å; Y441-R450 VanDerWaalsContact O-CD 3.22Å; Y441-R450 WeakPolarHBondContact O-CD 3.08Å
442	F	98.1	Very high	96.4	Very high	25 Å²	25	73.9 Å²	73.9	11%	0.11	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-28.3	-176	-54.9	-73.7	0	0	0	112.6	I381 L382 E414 L418 R438 A439 K440 R450	I381-F442 HydrophobicContact CG2-CE1 4.12Å; I381-F442 HydrophobicContact CG2-CE2 3.91Å; I381-F442 HydrophobicContact CG2-CZ 3.63Å; I381-F442 WeakPolarHBondContact O-CE2 3.46Å; L382-F442 HydrophobicContact CD2-CD2 4.08Å; E414-F442 HydrophobicContact CB-CE1 4.5Å; E414-F442 HydrophobicContact CB-CZ 4.48Å; L418-F442 HydrophobicContact CD1-CB 3.77Å; L418-F442 HydrophobicContact CD1-CD1 3.97Å; L418-F442 HydrophobicContact CD1-CD2 3.91Å; L418-F442 HydrophobicContact CD1-CE2 4.49Å; L418-F442 HydrophobicContact CD1-CG 3.6Å; R438-F442 HydrophobicContact CB-CE2 4.11Å; R438-F442 VanDerWaalsContact O-CD2 3.29Å; R438-F442 WeakPolarHBondContact O-CD2 3.39Å; A439-F442 PolarHBondContact O-N 3.08Å; K440-F442 VanDerWaalsContact C-N 3.35Å; F442-R450 WeakPolarHBondContact O-CB 3.49Å; F442-R450 WeakPolarHBondContact O-CG 3.49Å; F442-R450 PolarHBondContact O-N 3.47Å
443	I	97.8	Very high	96.3	Very high	12 Å²	12	76.3 Å²	76.3	6%	0.062	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-126.3	136.2	-178.9	-60	170.5	0	0	0	108.2	M427 P428 L433 A439 K440	M427-I443 HydrophobicContact CE-CD1 4Å; M427-I443 HydrophobicContact CE-CG1 4.42Å; P428-I443 HydrophobicContact CG-CD1 3.87Å; L433-I443 HydrophobicContact CD1-CD1 3.45Å; L433-I443 VanDerWaalsContact CD1-CD1 3.45Å; L433-I443 HydrophobicContact CD2-CD1 3.5Å; L433-I443 HydrophobicContact CG-CD1 4.1Å; A439-I443 PolarHBondContact O-N 3.03Å; K440-I443 CarbonylContact C-O 3.53Å
444	N	94.8	Very high	96	Very high	46 Å²	46	78.2 Å²	78.2	25%	0.246	39%	0.385	C	S	.	.			trans	-83.2	175.1	-179.4	74.5	17.7	0	0	0	112.1	K446 G447 I448 R450	N444-K446 PolarHBondContact O-N 3.49Å; N444-K446 VanDerWaalsContact O-N 3.15Å; N444-K446 WeakPolarHBondContact OD1-CA 3.27Å; N444-K446 WeakPolarHBondContact OD1-CB 3.47Å; N444-K446 PolarHBondContact OD1-N 3.02Å; N444-G447 PolarHBondContact O-N 3.21Å; N444-G447 PolarHBondContact OD1-N 3.38Å; N444-I448 VanDerWaalsContact CG-O 3.28Å; N444-I448 PolarHBondContact N-O 3.06Å; N444-I448 PolarHBondContact OD1-N 2.84Å; N444-I448 PolarHBondContact OD1-O 3.31Å; N444-R450 HydrophobicContact CB-CG 4.34Å
445	S	92	Very high	95.7	Very high	126 Å²	126	74 Å²	74	88%	0.881	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.7	-178.9	51	0	0	0	0	114.6	G447	S445-G447 VanDerWaalsContact C-N 3.33Å
446	K	91.8	Very high	95.3	Very high	173 Å²	173	72.6 Å²	72.6	75%	0.752	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	6.7	176.4	-59	-177.4	-179.9	-178.3	0	112.5	N444 I448	N444-K446 PolarHBondContact O-N 3.49Å; N444-K446 VanDerWaalsContact O-N 3.15Å; N444-K446 WeakPolarHBondContact OD1-CA 3.27Å; N444-K446 WeakPolarHBondContact OD1-CB 3.47Å; N444-K446 PolarHBondContact OD1-N 3.02Å; K446-I448 VanDerWaalsContact C-N 3.29Å; K446-I448 HydrophobicContact CB-CD1 4.21Å; K446-I448 PolarHBondContact O-N 3.2Å
447	G	92.9	Very high	94.8	Very high	42 Å²	42	76.7 Å²	76.7	43%	0.433	39%	0.388	S	S	.	.	S	Bend	trans	76.3	12	-177.2	0	0	0	0	0	114.4	M427 N444 S445	M427-G447 WeakPolarHBondContact CE-O 3.31Å; N444-G447 PolarHBondContact O-N 3.21Å; N444-G447 PolarHBondContact OD1-N 3.38Å; S445-G447 VanDerWaalsContact C-N 3.33Å
448	I	95.4	Very high	94.4	Very high	38 Å²	38	73.8 Å²	73.8	20%	0.195	40%	0.398	C	S	.	.			trans	-94.3	132.5	-178.3	-65.9	164.4	0	0	0	109.8	N444 K446 R450 V454 L464	N444-I448 VanDerWaalsContact CG-O 3.28Å; N444-I448 PolarHBondContact N-O 3.06Å; N444-I448 PolarHBondContact OD1-N 2.84Å; N444-I448 PolarHBondContact OD1-O 3.31Å; K446-I448 VanDerWaalsContact C-N 3.29Å; K446-I448 HydrophobicContact CB-CD1 4.21Å; K446-I448 PolarHBondContact O-N 3.2Å; I448-R450 PolarHBondContact O-N 3.3Å; I448-V454 HydrophobicContact CD1-CG2 3.77Å; I448-V454 HydrophobicContact CG2-CG2 4.33Å; I448-L464 HydrophobicContact CG1-CD1 4.39Å; I448-L464 HydrophobicContact CG2-CD1 3.89Å
449	P	97.4	Very high	94	Very high	3 Å²	3	74.4 Å²	74.4	2%	0.019	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-59.5	133.6	173.7	-23.9	34.2	0	0	0	111.9	M422 M427 Y451 C452 P478	M422-P449 HydrophobicContact CE-CB 4.07Å; M422-P449 HydrophobicContact CE-CG 4.5Å; M422-P449 HydrophobicContact SD-CB 3.99Å; M422-P449 HydrophobicContact SD-CG 3.77Å; M427-P449 HydrophobicContact CE-CG 3.72Å; M427-P449 HydrophobicContact SD-CG 3.27Å; M427-P449 WeakPolarHBondContact SD-CG 3.23Å; P449-Y451 HydrophobicContact CB-CD1 3.43Å; P449-Y451 VanDerWaalsContact CB-CD1 3.43Å; P449-Y451 HydrophobicContact CB-CE1 3.43Å; P449-Y451 VanDerWaalsContact CB-CE1 3.43Å; P449-Y451 HydrophobicContact CG-CE1 4.07Å; P449-Y451 PolarHBondContact O-N 3.12Å; P449-C452 PolarHBondContact O-N 3.24Å; P449-C452 VanDerWaalsContact O-N 3.07Å; P449-P478 HydrophobicContact CG-CG 3.84Å
450	R	97.5	Very high	93.5	Very high	142 Å²	142	76.3 Å²	76.3	54%	0.536	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-16.5	-178	-68.2	176.5	-179.5	-80.7	4.4	114	K440 Y441 F442 N444 I448	K440-R450 VanDerWaalsContact O-CZ 3.28Å; K440-R450 PolarHBondContact O-NE 3.35Å; K440-R450 PolarHBondContact O-NH2 3.32Å; Y441-R450 VanDerWaalsContact O-CD 3.22Å; Y441-R450 WeakPolarHBondContact O-CD 3.08Å; F442-R450 WeakPolarHBondContact O-CB 3.49Å; F442-R450 WeakPolarHBondContact O-CG 3.49Å; F442-R450 PolarHBondContact O-N 3.47Å; N444-R450 HydrophobicContact CB-CG 4.34Å; I448-R450 PolarHBondContact O-N 3.3Å
451	Y	97.4	Very high	93.1	Very high	45 Å²	45	78.2 Å²	78.2	18%	0.176	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.3	173.9	84.8	-87.5	0	0	0	112.8	A419 M422 P449 G467 R475 G476	A419-Y451 HydrophobicContact CB-CD1 3.8Å; A419-Y451 HydrophobicContact CB-CD2 3.73Å; A419-Y451 HydrophobicContact CB-CE1 4.1Å; A419-Y451 HydrophobicContact CB-CE2 4Å; A419-Y451 HydrophobicContact CB-CG 3.62Å; M422-Y451 HydrophobicContact CB-CE1 4.21Å; M422-Y451 HydrophobicContact CE-CD1 3.73Å; M422-Y451 HydrophobicContact CE-CE1 3.55Å; M422-Y451 HydrophobicContact SD-CE1 4.17Å; P449-Y451 HydrophobicContact CB-CD1 3.43Å; P449-Y451 VanDerWaalsContact CB-CD1 3.43Å; P449-Y451 HydrophobicContact CB-CE1 3.43Å; P449-Y451 VanDerWaalsContact CB-CE1 3.43Å; P449-Y451 HydrophobicContact CG-CE1 4.07Å; P449-Y451 PolarHBondContact O-N 3.12Å; Y451-G467 VanDerWaalsContact O-CA 3.26Å; Y451-G467 WeakPolarHBondContact O-CA 3.44Å; Y451-G467 PolarHBondContact O-N 3.49Å; Y451-R475 HydrophobicContact CD2-CB 4.08Å; Y451-R475 HydrophobicContact CE2-CB 3.89Å; Y451-G476 VanDerWaalsContact CE2-O 3.29Å; Y451-G476 WeakPolarHBondContact CE2-O 2.96Å; Y451-G476 PolarHBondContact OH-O 2.82Å
452	C	96.9	Very high	92.6	Very high	17 Å²	17	75.8 Å²	75.8	12%	0.115	43%	0.432	C	S	.	.			trans	-101.8	154.4	180	-66.3	0	0	0	0	111.3	P449 L464 V465	P449-C452 PolarHBondContact O-N 3.24Å; P449-C452 VanDerWaalsContact O-N 3.07Å; C452-L464 HydrophobicContact CB-CD2 3.39Å; C452-L464 HydrophobicContact CB-CG 3.92Å; C452-L464 WeakPolarHBondContact SG-CD2 3.3Å; C452-V465 CarbonylContact C-O 3.52Å; C452-V465 VanDerWaalsContact CA-O 3.24Å; C452-V465 WeakPolarHBondContact CA-O 3.44Å; C452-V465 VanDerWaalsContact CB-O 3.27Å; C452-V465 WeakPolarHBondContact CB-O 3.37Å
453	S	93.1	Very high	92.3	Very high	58 Å²	58	76.6 Å²	76.6	41%	0.406	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	157.4	167.8	59.2	0	0	0	0	110.4	V465	S453-V465 PolarHBondContact N-O 3.24Å; S453-V465 PolarHBondContact O-N 3.33Å
454	V	91.4	Very high	92.1	Very high	74 Å²	74	78.8 Å²	78.8	45%	0.448	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.2	174.5	-178.5	0	0	0	0	107.5	I448 V462	I448-V454 HydrophobicContact CD1-CG2 3.77Å; I448-V454 HydrophobicContact CG2-CG2 4.33Å; V454-V462 HydrophobicContact CG1-CG1 3.25Å
455	T	89.4	Confident	92.1	Very high	69 Å²	69	79.6 Å²	79.6	42%	0.423	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	138.1	178.9	-53.7	0	0	0	0	109.6	V463	T455-V463 PolarHBondContact N-O 3.38Å; T455-V463 WeakPolarHBondContact O-CG2 3.4Å; T455-V463 PolarHBondContact O-N 3.21Å
456	T	89.2	Confident	92.3	Very high	89 Å²	89	74.4 Å²	74.4	55%	0.546	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.2	173.5	-50.6	0	0	0	0	108.5	R461	T456-R461 WeakPolarHBondContact CA-O 3.25Å
457	Q	86.5	Confident	92.4	Very high	96 Å²	96	67.2 Å²	67.2	45%	0.449	40%	0.398	S	S	.	.			trans	-72.8	165.8	174.9	-68.3	-173.8	-10.4	0	0	110.9	D459 G460 R461 V463	Q457-D459 VanDerWaalsContact CB-OD1 3.25Å; Q457-D459 WeakPolarHBondContact CB-OD1 3.38Å; Q457-D459 PolarHBondContact O-N 3.22Å; Q457-D459 VanDerWaalsContact O-N 3.17Å; Q457-G460 PolarHBondContact O-N 2.94Å; Q457-R461 PolarHBondContact N-O 2.64Å; Q457-V463 HydrophobicContact CG-CG1 4.23Å; Q457-V463 HydrophobicContact CG-CG2 3.85Å
458	A	88.4	Confident	92.6	Very high	120 Å²	120	73.1 Å²	73.1	99%	0.992	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.7	-179.6	0	0	0	0	0	113.5	G460	A458-G460 VanDerWaalsContact C-N 3.26Å; A458-G460 PolarHBondContact O-N 3.3Å
459	D	90.4	Very high	92.6	Very high	94 Å²	94	71.9 Å²	71.9	50%	0.503	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	5.4	175	69.8	-7.9	0	0	0	113.5	Q457 R461	Q457-D459 VanDerWaalsContact CB-OD1 3.25Å; Q457-D459 WeakPolarHBondContact CB-OD1 3.38Å; Q457-D459 PolarHBondContact O-N 3.22Å; Q457-D459 VanDerWaalsContact O-N 3.17Å; D459-R461 VanDerWaalsContact C-N 3.31Å; D459-R461 PolarHBondContact O-N 3.42Å; D459-R461 VanDerWaalsContact OD1-CB 3.28Å; D459-R461 WeakPolarHBondContact OD1-CB 3.27Å; D459-R461 WeakPolarHBondContact OD1-CG 3.37Å; D459-R461 PolarHBondContact OD1-N 3.42Å; D459-R461 WeakPolarHBondContact OD2-CD 3.43Å; D459-R461 WeakPolarHBondContact OD2-CG 3.49Å; D459-R461 IonicContact OD2-CZ 2.87Å; D459-R461 IonicContact OD2-NE 3.47Å; D459-R461 PolarHBondContact OD2-NE 2.93Å
460	G	87.8	Confident	92.5	Very high	50 Å²	50	81 Å²	81	52%	0.515	44%	0.436	S	S	.	.	S	Bend	trans	82.6	-1.6	-178.5	0	0	0	0	0	114.8	Q457 A458 V462	Q457-G460 PolarHBondContact O-N 2.94Å; A458-G460 VanDerWaalsContact C-N 3.26Å; A458-G460 PolarHBondContact O-N 3.3Å; G460-V462 PolarHBondContact O-N 3.39Å
461	R	88.8	Confident	92.4	Very high	173 Å²	173	80.7 Å²	80.7	65%	0.653	44%	0.435	S	S	*	.			trans	-74.2	128.6	178.6	-67.2	-177.8	-178.4	176.2	-0.1	111.3	T456 Q457 D459 V463	T456-R461 WeakPolarHBondContact CA-O 3.25Å; Q457-R461 PolarHBondContact N-O 2.64Å; D459-R461 VanDerWaalsContact C-N 3.31Å; D459-R461 PolarHBondContact O-N 3.42Å; D459-R461 VanDerWaalsContact OD1-CB 3.28Å; D459-R461 WeakPolarHBondContact OD1-CB 3.27Å; D459-R461 WeakPolarHBondContact OD1-CG 3.37Å; D459-R461 PolarHBondContact OD1-N 3.42Å; D459-R461 WeakPolarHBondContact OD2-CD 3.43Å; D459-R461 WeakPolarHBondContact OD2-CG 3.49Å; D459-R461 IonicContact OD2-CZ 2.87Å; D459-R461 IonicContact OD2-NE 3.47Å; D459-R461 PolarHBondContact OD2-NE 2.93Å; R461-V463 PolarHBondContact O-N 2.86Å
462	V	87.4	Confident	92.3	Very high	100 Å²	100	80.1 Å²	80.1	61%	0.606	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	114	173.5	-178.5	0	0	0	0	108.7	V454 G460	V454-V462 HydrophobicContact CG1-CG1 3.25Å; G460-V462 PolarHBondContact O-N 3.39Å
463	V	92.2	Very high	92.3	Very high	42 Å²	42	85.4 Å²	85.4	26%	0.255	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	147.6	178.6	-61.1	0	0	0	0	110.9	T455 Q457 R461 V465	T455-V463 PolarHBondContact N-O 3.38Å; T455-V463 WeakPolarHBondContact O-CG2 3.4Å; T455-V463 PolarHBondContact O-N 3.21Å; Q457-V463 HydrophobicContact CG-CG1 4.23Å; Q457-V463 HydrophobicContact CG-CG2 3.85Å; R461-V463 PolarHBondContact O-N 2.86Å; V463-V465 HydrophobicContact CG2-CG2 4.19Å
464	L	93.9	Very high	92.5	Very high	57 Å²	57	89.8 Å²	89.8	30%	0.298	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.3	175.6	-165.1	148.3	0	0	0	107.9	I448 C452 P477	I448-L464 HydrophobicContact CG1-CD1 4.39Å; I448-L464 HydrophobicContact CG2-CD1 3.89Å; C452-L464 HydrophobicContact CB-CD2 3.39Å; C452-L464 HydrophobicContact CB-CG 3.92Å; C452-L464 WeakPolarHBondContact SG-CD2 3.3Å; L464-P477 HydrophobicContact CD2-CB 3.84Å; L464-P477 HydrophobicContact CD2-CG 4.46Å; L464-P477 WeakPolarHBondContact O-CG 3.09Å
465	V	94.9	Very high	92.8	Very high	63 Å²	63	87.5 Å²	87.5	38%	0.382	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.4	-179.2	-173.3	0	0	0	0	108.2	C452 S453 V463	C452-V465 CarbonylContact C-O 3.52Å; C452-V465 VanDerWaalsContact CA-O 3.24Å; C452-V465 WeakPolarHBondContact CA-O 3.44Å; C452-V465 VanDerWaalsContact CB-O 3.27Å; C452-V465 WeakPolarHBondContact CB-O 3.37Å; S453-V465 PolarHBondContact N-O 3.24Å; S453-V465 PolarHBondContact O-N 3.33Å; V463-V465 HydrophobicContact CG2-CG2 4.19Å
466	G	94.8	Very high	93.2	Very high	18 Å²	18	85 Å²	85	19%	0.186	45%	0.446	C	S	.	.			trans	-65.8	179.9	177.3	0	0	0	0	0	113.5	R475	G466-R475 CarbonylContact C-O 3.59Å; G466-R475 WeakPolarHBondContact CA-O 3.31Å
467	G	95.4	Very high	93.6	Very high	21 Å²	21	82.6 Å²	82.6	22%	0.216	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-170.9	-177.1	0	0	0	0	0	113.8	Y451 R475	Y451-G467 VanDerWaalsContact O-CA 3.26Å; Y451-G467 WeakPolarHBondContact O-CA 3.44Å; Y451-G467 PolarHBondContact O-N 3.49Å; G467-R475 PolarHBondContact N-O 2.86Å; G467-R475 PolarHBondContact O-N 3.25Å
468	R	96.3	Very high	94.2	Very high	166 Å²	166	79.7 Å²	79.7	63%	0.626	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	142	168	-69.3	-179.4	179.5	-101.1	12.7	110.1	G472 K473 K474	R468-G472 PolarHBondContact NH1-O 3.17Å; R468-K473 CarbonylContact C-O 3.48Å; R468-K473 VanDerWaalsContact CA-O 3.25Å; R468-K473 WeakPolarHBondContact CA-O 3.43Å; R468-K474 HydrophobicContact CG-CG 4.42Å
469	S	95.9	Very high	94.6	Very high	13 Å²	13	76 Å²	76	9%	0.091	40%	0.396	C	S	.	.			trans	-66.3	171.1	169.8	78.4	0	0	0	0	111.1	E412 R471 G472 K473	E412-S469 WeakPolarHBondContact OE1-CB 3.33Å; E412-S469 PolarHBondContact OE1-OG 3.34Å; E412-S469 VanDerWaalsContact OE2-CB 3.24Å; E412-S469 WeakPolarHBondContact OE2-CB 3.47Å; E412-S469 PolarHBondContact OE2-OG 3.41Å; E412-S469 VanDerWaalsContact OE2-OG 3.11Å; S469-R471 PolarHBondContact O-N 3.23Å; S469-R471 PolarHBondContact OG-N 3.47Å; S469-G472 WeakPolarHBondContact O-CA 3.37Å; S469-G472 PolarHBondContact O-N 3.11Å; S469-G472 PolarHBondContact OG-N 3.38Å; S469-K473 PolarHBondContact N-O 3.41Å; S469-K473 WeakPolarHBondContact OG-CB 3.4Å; S469-K473 PolarHBondContact OG-N 3.2Å
470	R	95.1	Very high	95	Very high	193 Å²	193	74.4 Å²	74.4	73%	0.728	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.9	176.8	-70.3	-175.2	-71.9	137.5	1.4	112.1	E412 D413 G472	E412-R470 PolarHBondContact OE2-N 2.91Å; E412-R470 VanDerWaalsContact OE2-N 3.07Å; D413-R470 IonicContact OD2-CZ 2.81Å; D413-R470 VanDerWaalsContact OD2-CZ 3.23Å; D413-R470 IonicContact OD2-NE 3.98Å; D413-R470 PolarHBondContact OD2-NE 3.07Å; D413-R470 IonicContact OD2-NH2 2.81Å; D413-R470 PolarHBondContact OD2-NH2 3.22Å; R470-G472 VanDerWaalsContact C-N 3.26Å; R470-G472 PolarHBondContact O-N 3.23Å
471	R	94.9	Very high	95.5	Very high	137 Å²	137	75.1 Å²	75.1	52%	0.517	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	14.5	172.3	-51.9	-178.6	-68	-168.5	-6.1	113.7	E412 S469 K473	E412-R471 VanDerWaalsContact OE1-CB 3.28Å; E412-R471 WeakPolarHBondContact OE1-CB 3.16Å; E412-R471 IonicContact OE1-CZ 3.6Å; E412-R471 IonicContact OE1-NE 3.23Å; E412-R471 PolarHBondContact OE1-NE 3.23Å; E412-R471 IonicContact OE1-NH2 2.89Å; E412-R471 PolarHBondContact OE2-N 2.89Å; E412-R471 IonicContact OE2-NE 3.69Å; S469-R471 PolarHBondContact O-N 3.23Å; S469-R471 PolarHBondContact OG-N 3.47Å; R471-K473 PolarHBondContact O-N 2.94Å
472	G	95.4	Very high	95.9	Very high	33 Å²	33	72.2 Å²	72.2	34%	0.34	38%	0.378	S	S	.	.			trans	79.5	7.8	173.2	0	0	0	0	0	115.9	R468 S469 R470	R468-G472 PolarHBondContact NH1-O 3.17Å; S469-G472 WeakPolarHBondContact O-CA 3.37Å; S469-G472 PolarHBondContact O-N 3.11Å; S469-G472 PolarHBondContact OG-N 3.38Å; R470-G472 VanDerWaalsContact C-N 3.26Å; R470-G472 PolarHBondContact O-N 3.23Å
473	K	96.4	Very high	96.4	Very high	127 Å²	127	69.2 Å²	69.2	55%	0.552	36%	0.356	S	S	*	.			trans	-70.1	129.4	177.1	-61.7	-67.6	-175	178.5	0	109.8	R468 S469 R471	R468-K473 CarbonylContact C-O 3.48Å; R468-K473 VanDerWaalsContact CA-O 3.25Å; R468-K473 WeakPolarHBondContact CA-O 3.43Å; S469-K473 PolarHBondContact N-O 3.41Å; S469-K473 WeakPolarHBondContact OG-CB 3.4Å; S469-K473 PolarHBondContact OG-N 3.2Å; R471-K473 PolarHBondContact O-N 2.94Å
474	K	97.4	Very high	96.6	Very high	151 Å²	151	68.9 Å²	68.9	66%	0.657	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	137.1	178.1	-63.9	178.3	-176.8	173.4	0	110.1	R468	R468-K474 HydrophobicContact CG-CG 4.42Å
475	R	97.9	Very high	96.8	Very high	26 Å²	26	70.9 Å²	70.9	10%	0.098	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.5	169.2	-56.4	-58.7	-179.3	-162.4	5.1	107.7	P410 D416 A419 C420 Y451 G466 G467	P410-R475 PolarHBondContact O-NH2 3.08Å; D416-R475 WeakPolarHBondContact OD1-CG 3.49Å; D416-R475 IonicContact OD1-CZ 2.97Å; D416-R475 IonicContact OD1-NE 2.96Å; D416-R475 PolarHBondContact OD1-NE 3.28Å; D416-R475 IonicContact OD1-NH2 2.8Å; D416-R475 IonicContact OD2-CZ 3.86Å; D416-R475 IonicContact OD2-NE 3.5Å; D416-R475 IonicContact OD2-NH2 2.73Å; D416-R475 PolarHBondContact OD2-NH2 2.92Å; A419-R475 HydrophobicContact CB-CB 4.44Å; A419-R475 HydrophobicContact CB-CG 4.25Å; C420-R475 PolarHBondContact SG-NH2 3.15Å; Y451-R475 HydrophobicContact CD2-CB 4.08Å; Y451-R475 HydrophobicContact CE2-CB 3.89Å; G466-R475 CarbonylContact C-O 3.59Å; G466-R475 WeakPolarHBondContact CA-O 3.31Å; G467-R475 PolarHBondContact N-O 2.86Å; G467-R475 PolarHBondContact O-N 3.25Å
476	G	97.8	Very high	96.9	Very high	15 Å²	15	68.5 Å²	68.5	16%	0.155	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-70.7	169.7	177.3	0	0	0	0	0	113.8	E423 Y451 S480	E423-G476 PolarHBondContact OE1-N 2.73Å; Y451-G476 VanDerWaalsContact CE2-O 3.29Å; Y451-G476 WeakPolarHBondContact CE2-O 2.96Å; Y451-G476 PolarHBondContact OH-O 2.82Å; G476-S480 WeakPolarHBondContact CA-OG 3.23Å
477	P	98.1	Very high	97.1	Very high	40 Å²	40	67.8 Å²	67.8	26%	0.26	35%	0.354	S	S	.	.	S	Bend	trans	-55.6	164.3	171.6	-25.5	36.2	0	0	0	113.2	L464 G479 S480	L464-P477 HydrophobicContact CD2-CB 3.84Å; L464-P477 HydrophobicContact CD2-CG 4.46Å; L464-P477 WeakPolarHBondContact O-CG 3.09Å; P477-G479 PolarHBondContact O-N 3.44Å; P477-S480 VanDerWaalsContact O-CB 3.27Å; P477-S480 WeakPolarHBondContact O-CB 3.31Å; P477-S480 PolarHBondContact O-N 2.94Å; P477-S480 VanDerWaalsContact O-N 3.12Å; P477-S480 PolarHBondContact O-OG 3.43Å
478	P	98.4	Very high	97.2	Very high	35 Å²	35	72.3 Å²	72.3	23%	0.227	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	128.9	177.1	-26.2	35.7	0	0	0	112.6	M422 M427 P449 S480	M422-P478 HydrophobicContact CB-CB 4.43Å; M422-P478 HydrophobicContact CB-CG 4.49Å; M422-P478 CarbonylContact O-C 3.59Å; M422-P478 VanDerWaalsContact O-CA 3.23Å; M422-P478 WeakPolarHBondContact O-CA 3.41Å; M427-P478 HydrophobicContact CG-CB 3.93Å; M427-P478 HydrophobicContact CG-CG 4.1Å; M427-P478 HydrophobicContact SD-CB 3.97Å; M427-P478 HydrophobicContact SD-CG 3.59Å; M427-P478 VanDerWaalsContact SD-CG 3.59Å; P449-P478 HydrophobicContact CG-CG 3.84Å; P478-S480 VanDerWaalsContact C-N 3.26Å; P478-S480 PolarHBondContact O-N 3.24Å
479	G	98	Very high	97.2	Very high	43 Å²	43	67.2 Å²	67.2	44%	0.443	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	11.1	179.3	0	0	0	0	0	114.9	M422 E423 P477 K481	M422-G479 PolarHBondContact O-N 3.29Å; E423-G479 CarbonylContact O-C 3.58Å; E423-G479 WeakPolarHBondContact O-CA 3.35Å; E423-G479 PolarHBondContact O-N 3.06Å; P477-G479 PolarHBondContact O-N 3.44Å; G479-K481 VanDerWaalsContact C-N 3.33Å
480	S	98.1	Very high	97.3	Very high	60 Å²	60	67.7 Å²	67.7	42%	0.42	37%	0.37	S	S	.	.			trans	-79.5	-11.3	-179.1	74.3	0	0	0	0	114.4	E423 G476 P477 P478	E423-S480 PolarHBondContact O-N 2.92Å; G476-S480 WeakPolarHBondContact CA-OG 3.23Å; P477-S480 VanDerWaalsContact O-CB 3.27Å; P477-S480 WeakPolarHBondContact O-CB 3.31Å; P477-S480 PolarHBondContact O-N 2.94Å; P477-S480 VanDerWaalsContact O-N 3.12Å; P477-S480 PolarHBondContact O-OG 3.43Å; P478-S480 VanDerWaalsContact C-N 3.26Å; P478-S480 PolarHBondContact O-N 3.24Å
481	K	98	Very high	97.3	Very high	65 Å²	65	65.5 Å²	65.5	28%	0.283	37%	0.373	S	S	.	.	S	Bend	trans	-102.2	123.6	177.8	-171.9	-169.7	-47.9	-60	0	110.3	E423 L424 G479 A486	E423-K481 VanDerWaalsContact CD-CE 3.44Å; E423-K481 HydrophobicContact CG-CB 3.95Å; E423-K481 PolarHBondContact O-N 3.27Å; E423-K481 IonicContact OE1-NZ 3.8Å; E423-K481 PolarHBondContact OE1-NZ 3.18Å; E423-K481 VanDerWaalsContact OE1-NZ 3.11Å; E423-K481 WeakPolarHBondContact OE2-CE 3.36Å; E423-K481 IonicContact OE2-NZ 2.73Å; E423-K481 PolarHBondContact OE2-NZ 3.32Å; L424-K481 HydrophobicContact CD1-CB 4.48Å; L424-K481 HydrophobicContact CD1-CD 4.44Å; L424-K481 HydrophobicContact CD1-CG 4.45Å; L424-K481 VanDerWaalsContact CD1-O 3.29Å; L424-K481 WeakPolarHBondContact CD1-O 3.42Å; G479-K481 VanDerWaalsContact C-N 3.33Å; K481-A486 HydrophobicContact CD-CB 4.06Å
482	D	97.6	Very high	97.5	Very high	111 Å²	111	60.7 Å²	60.7	59%	0.594	36%	0.357	S	S	*	.			trans	-77.9	149	175.7	-60.8	-56.5	0	0	0	113.2	G484 T485 A486	D482-G484 VanDerWaalsContact C-N 3.3Å; D482-G484 PolarHBondContact O-N 3.07Å; D482-T485 PolarHBondContact O-N 2.96Å; D482-A486 PolarHBondContact O-N 2.95Å
483	W	98.1	Very high	97.6	Very high	37 Å²	37	67.1 Å²	67.1	14%	0.14	37%	0.373	C	S	.	.	H	α-helix	trans	-61	-36.6	176	-74.2	83.3	0	0	0	112.9	L424 L425 T485 A486 L487 I496 L499 K500 L503	L424-W483 HydrophobicContact CD1-CD2 4.18Å; L424-W483 HydrophobicContact CD1-CG 4.29Å; L424-W483 HydrophobicContact CD2-CH2 4.29Å; L424-W483 HydrophobicContact CD2-CZ2 4.41Å; L424-W483 HydrophobicContact CD2-CZ3 4.34Å; L424-W483 HydrophobicContact CG-CZ2 4.32Å; L425-W483 HydrophobicContact CD2-CH2 3.92Å; L425-W483 HydrophobicContact CD2-CZ2 3.46Å; L425-W483 VanDerWaalsContact CD2-CZ2 3.46Å; W483-T485 VanDerWaalsContact C-N 3.33Å; W483-T485 PolarHBondContact O-N 3.37Å; W483-A486 PolarHBondContact O-N 3.45Å; W483-L487 HydrophobicContact CE3-CD1 4.1Å; W483-L487 WeakPolarHBondContact O-CB 3.47Å; W483-L487 WeakPolarHBondContact O-CG 3.18Å; W483-L487 PolarHBondContact O-N 3.18Å; W483-I496 HydrophobicContact CB-CG2 4.28Å; W483-I496 HydrophobicContact CD2-CG2 4.35Å; W483-I496 HydrophobicContact CE3-CG2 4.37Å; W483-I496 HydrophobicContact CG-CG2 4.32Å; W483-L499 HydrophobicContact CE3-CD2 4.4Å; W483-L499 HydrophobicContact CZ3-CB 4.24Å; W483-L499 HydrophobicContact CZ3-CD2 3.73Å; W483-L499 HydrophobicContact CZ3-CG 4.08Å; W483-K500 VanDerWaalsContact CD1-CE 3.46Å; W483-K500 HydrophobicContact CD2-CG 4.28Å; W483-K500 VanDerWaalsContact CE2-CE 3.42Å; W483-K500 HydrophobicContact CH2-CG 3.75Å; W483-K500 HydrophobicContact CZ2-CB 4.45Å; W483-K500 HydrophobicContact CZ2-CD 4.35Å; W483-K500 HydrophobicContact CZ2-CG 3.38Å; W483-K500 HydrophobicContact CZ3-CG 4.35Å; W483-L503 HydrophobicContact CH2-CD1 4.06Å; W483-L503 HydrophobicContact CZ3-CD1 4.47Å
484	G	97	Very high	97.7	Very high	35 Å²	35	64.5 Å²	64.5	36%	0.361	36%	0.364	S	S	.	.	H	α-helix	trans	-59.3	-45.3	175.5	0	0	0	0	0	111.5	D482 L487 K488 G489	D482-G484 VanDerWaalsContact C-N 3.3Å; D482-G484 PolarHBondContact O-N 3.07Å; G484-L487 CarbonylContact O-C 3.56Å; G484-L487 PolarHBondContact O-N 2.94Å; G484-K488 PolarHBondContact O-N 3.28Å; G484-G489 PolarHBondContact O-N 3.45Å
485	T	97.4	Very high	97.7	Very high	100 Å²	100	57.3 Å²	57.3	61%	0.613	33%	0.333	S	S	*	.	H	α-helix	trans	-66	-45	175.3	-57.4	0	0	0	0	111.8	D482 W483 L487 K488	D482-T485 PolarHBondContact O-N 2.96Å; W483-T485 VanDerWaalsContact C-N 3.33Å; W483-T485 PolarHBondContact O-N 3.37Å; T485-L487 VanDerWaalsContact C-N 3.26Å; T485-L487 PolarHBondContact O-N 3.49Å; T485-K488 PolarHBondContact O-N 3.24Å
486	A	97.9	Very high	97.8	Very high	12 Å²	12	57 Å²	57	10%	0.099	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-33.8	179.8	0	0	0	0	0	112.7	L408 L424 K481 D482 W483	L408-A486 HydrophobicContact CD1-CB 4.15Å; L424-A486 HydrophobicContact CD1-CB 3.92Å; L424-A486 HydrophobicContact CD2-CB 4.26Å; K481-A486 HydrophobicContact CD-CB 4.06Å; D482-A486 PolarHBondContact O-N 2.95Å; W483-A486 PolarHBondContact O-N 3.45Å
487	L	98.4	Very high	97.8	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.016	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	23.5	-177.6	-58	177.2	0	0	0	113.6	A400 L403 T404 W483 G484 T485 G489 C490 F495 I496 L499	A400-L487 HydrophobicContact CB-CD2 4.05Å; L403-L487 HydrophobicContact CD2-CB 4.37Å; L403-L487 HydrophobicContact CD2-CD2 4.44Å; T404-L487 HydrophobicContact CG2-CD2 4.34Å; W483-L487 HydrophobicContact CE3-CD1 4.1Å; W483-L487 WeakPolarHBondContact O-CB 3.47Å; W483-L487 WeakPolarHBondContact O-CG 3.18Å; W483-L487 PolarHBondContact O-N 3.18Å; G484-L487 CarbonylContact O-C 3.56Å; G484-L487 PolarHBondContact O-N 2.94Å; T485-L487 VanDerWaalsContact C-N 3.26Å; T485-L487 PolarHBondContact O-N 3.49Å; L487-G489 VanDerWaalsContact C-N 3.28Å; L487-G489 PolarHBondContact O-N 2.84Å; L487-C490 HydrophobicContact CB-CB 3.88Å; L487-C490 WeakPolarHBondContact O-CB 3.4Å; L487-C490 PolarHBondContact O-N 3.45Å; L487-C490 VanDerWaalsContact O-N 3.14Å; L487-F495 HydrophobicContact CD1-CD1 4.43Å; L487-F495 HydrophobicContact CD1-CE1 4.2Å; L487-F495 HydrophobicContact CD2-CE1 4.47Å; L487-I496 HydrophobicContact CD1-CG1 3.84Å; L487-L499 HydrophobicContact CD1-CD2 4.07Å; L487-L499 HydrophobicContact CD2-CD2 3.8Å
488	K	97.3	Very high	97.8	Very high	116 Å²	116	56.9 Å²	56.9	50%	0.504	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	41.2	175.8	-63.9	-173.3	173.7	175.8	0	114.1	T404 Q406 G484 T485	T404-K488 HydrophobicContact CG2-CG 4.24Å; T404-K488 WeakPolarHBondContact O-CE 3.4Å; T404-K488 PolarHBondContact O-NZ 3.14Å; Q406-K488 VanDerWaalsContact CD-CE 3.47Å; G484-K488 PolarHBondContact O-N 3.28Å; T485-K488 PolarHBondContact O-N 3.24Å
489	G	96.9	Very high	97.8	Very high	59 Å²	59	55.2 Å²	55.2	61%	0.608	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	9.1	176.5	0	0	0	0	0	115.3	G484 L487 D491	G484-G489 PolarHBondContact O-N 3.45Å; L487-G489 VanDerWaalsContact C-N 3.28Å; L487-G489 PolarHBondContact O-N 2.84Å; G489-D491 PolarHBondContact O-N 3.31Å
490	C	97.2	Very high	97.9	Very high	24 Å²	24	57.4 Å²	57.4	16%	0.162	31%	0.312	C	S	.	.			trans	-59	131.8	173.2	-177	0	0	0	0	111.6	L403 L487	L403-C490 HydrophobicContact CD2-CB 3.85Å; L487-C490 HydrophobicContact CB-CB 3.88Å; L487-C490 WeakPolarHBondContact O-CB 3.4Å; L487-C490 PolarHBondContact O-N 3.45Å; L487-C490 VanDerWaalsContact O-N 3.14Å
491	D	95.9	Very high	97.9	Very high	147 Å²	147	58.5 Å²	58.5	79%	0.786	31%	0.306	S	S	*	.			trans	-118.9	3.7	-176.8	63.4	-7.6	0	0	0	113.6	G489 Y493	G489-D491 PolarHBondContact O-N 3.31Å; D491-Y493 PolarHBondContact O-N 2.94Å
492	D	97.8	Very high	98	Very high	35 Å²	35	55.4 Å²	55.4	19%	0.187	29%	0.293	C	S	.	.			trans	-66.4	92.9	171.9	-175.4	-25.6	0	0	0	109.4	V309 R313 L494 F495 I496	V309-D492 HydrophobicContact CG2-CB 4.42Å; R313-D492 IonicContact NH2-OD2 2.66Å; D492-L494 PolarHBondContact O-N 3.02Å; D492-L494 WeakPolarHBondContact OD1-CB 3.16Å; D492-L494 PolarHBondContact OD1-N 3.14Å; D492-L494 VanDerWaalsContact OD1-N 3.1Å; D492-F495 HydrophobicContact CB-CB 4.04Å; D492-F495 WeakPolarHBondContact O-CB 3.47Å; D492-F495 PolarHBondContact O-N 3.06Å; D492-F495 PolarHBondContact OD1-N 2.93Å; D492-I496 WeakPolarHBondContact O-CG1 3.39Å; D492-I496 PolarHBondContact O-N 3.32Å
493	Y	97.6	Very high	98	Very high	169 Å²	169	50.2 Å²	50.2	66%	0.663	27%	0.265	S	S	*	.	H	α-helix	trans	-58.2	-34.2	-177.5	179.8	-90.4	0	0	0	112.8	D491 F495 I496 E497	D491-Y493 PolarHBondContact O-N 2.94Å; Y493-F495 VanDerWaalsContact C-N 3.33Å; Y493-I496 PolarHBondContact O-N 3.07Å; Y493-E497 HydrophobicContact CE1-CB 4.29Å; Y493-E497 HydrophobicContact CE1-CG 4.49Å; Y493-E497 VanDerWaalsContact O-CB 3.29Å; Y493-E497 WeakPolarHBondContact O-CB 3.46Å; Y493-E497 PolarHBondContact O-N 3.32Å
494	L	98.3	Very high	98	Very high	72 Å²	72	52.3 Å²	52.3	38%	0.377	28%	0.277	S	S	.	.	H	α-helix	trans	-68.1	-36.2	178.5	-68.6	179	0	0	0	111.3	D492 F498 P520 W521	D492-L494 PolarHBondContact O-N 3.02Å; D492-L494 WeakPolarHBondContact OD1-CB 3.16Å; D492-L494 PolarHBondContact OD1-N 3.14Å; D492-L494 VanDerWaalsContact OD1-N 3.1Å; L494-F498 VanDerWaalsContact O-CB 3.3Å; L494-F498 WeakPolarHBondContact O-CB 3.29Å; L494-F498 PolarHBondContact O-N 2.69Å; L494-F498 VanDerWaalsContact O-N 3.07Å; L494-P520 HydrophobicContact CD2-CB 4.2Å; L494-W521 HydrophobicContact CB-CB 3.98Å; L494-W521 HydrophobicContact CB-CG 4.43Å
495	F	98.6	Very high	98.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-46.4	172.4	177.9	-114.7	0	0	0	111.7	V309 V312 L399 L403 L487 D492 Y493 E497 F498 L499 W521	V309-F495 HydrophobicContact CG2-CB 4.16Å; V309-F495 HydrophobicContact CG2-CG 4.2Å; V312-F495 HydrophobicContact CG1-CE2 4.27Å; L399-F495 HydrophobicContact CB-CE2 4.11Å; L399-F495 HydrophobicContact CB-CZ 4.25Å; L399-F495 HydrophobicContact CD1-CE2 4.39Å; L403-F495 HydrophobicContact CB-CE1 4.47Å; L403-F495 HydrophobicContact CB-CZ 4.47Å; L403-F495 HydrophobicContact CD2-CD1 3.9Å; L403-F495 HydrophobicContact CD2-CE1 3.34Å; L403-F495 HydrophobicContact CD2-CZ 4.13Å; L403-F495 HydrophobicContact CG-CE1 4.47Å; L487-F495 HydrophobicContact CD1-CD1 4.43Å; L487-F495 HydrophobicContact CD1-CE1 4.2Å; L487-F495 HydrophobicContact CD2-CE1 4.47Å; D492-F495 HydrophobicContact CB-CB 4.04Å; D492-F495 WeakPolarHBondContact O-CB 3.47Å; D492-F495 PolarHBondContact O-N 3.06Å; D492-F495 PolarHBondContact OD1-N 2.93Å; Y493-F495 VanDerWaalsContact C-N 3.33Å; F495-E497 VanDerWaalsContact C-N 3.34Å; F495-E497 PolarHBondContact O-N 3.46Å; F495-F498 WeakPolarHBondContact O-CB 3.38Å; F495-F498 PolarHBondContact O-N 3.16Å; F495-L499 HydrophobicContact CE1-CD2 4.04Å; F495-L499 HydrophobicContact CE2-CD1 4.32Å; F495-L499 HydrophobicContact CZ-CD1 4.08Å; F495-L499 HydrophobicContact CZ-CD2 4.1Å; F495-L499 WeakPolarHBondContact O-CB 3.36Å; F495-L499 PolarHBondContact O-N 3.33Å; F495-W521 HydrophobicContact CB-CD2 4.48Å; F495-W521 HydrophobicContact CB-CG 4.47Å; F495-W521 AromaticContact CD2-CD2 3.99Å; F495-W521 HydrophobicContact CD2-CD2 3.99Å; F495-W521 AromaticContact CD2-CE2 3.42Å; F495-W521 VanDerWaalsContact CD2-CE2 3.42Å; F495-W521 HydrophobicContact CD2-CE3 4.26Å; F495-W521 AromaticContact CD2-CH2 3.57Å; F495-W521 HydrophobicContact CD2-CH2 3.57Å; F495-W521 AromaticContact CD2-CZ2 3.22Å; F495-W521 HydrophobicContact CD2-CZ2 3.22Å; F495-W521 HydrophobicContact CD2-CZ3 4.06Å; F495-W521 AromaticContact CD2-NE1 3.87Å; F495-W521 AromaticContact CE2-CH2 3.67Å; F495-W521 HydrophobicContact CE2-CH2 3.67Å; F495-W521 AromaticContact CE2-CZ2 3.7Å; F495-W521 HydrophobicContact CE2-CZ2 3.7Å; F495-W521 HydrophobicContact CE2-CZ3 4.28Å; F495-W521 HydrophobicContact CG-CZ2 4.18Å
496	I	98.7	Very high	98.2	Very high	20 Å²	20	50 Å²	50	10%	0.103	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-43.9	-179.5	-63.3	170.1	0	0	0	110.8	W483 L487 D492 Y493 L499 K500	W483-I496 HydrophobicContact CB-CG2 4.28Å; W483-I496 HydrophobicContact CD2-CG2 4.35Å; W483-I496 HydrophobicContact CE3-CG2 4.37Å; W483-I496 HydrophobicContact CG-CG2 4.32Å; L487-I496 HydrophobicContact CD1-CG1 3.84Å; D492-I496 WeakPolarHBondContact O-CG1 3.39Å; D492-I496 PolarHBondContact O-N 3.32Å; Y493-I496 PolarHBondContact O-N 3.07Å; I496-L499 PolarHBondContact O-N 2.8Å; I496-K500 HydrophobicContact CG2-CD 4.22Å; I496-K500 WeakPolarHBondContact O-CG 3.27Å; I496-K500 PolarHBondContact O-N 2.84Å
497	E	98.5	Very high	98.2	Very high	51 Å²	51	50.6 Å²	50.6	24%	0.238	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-48	175.5	-166.3	-79.8	-178	0	0	110.4	Y493 F495 L499 K500 R501 H519	Y493-E497 HydrophobicContact CE1-CB 4.29Å; Y493-E497 HydrophobicContact CE1-CG 4.49Å; Y493-E497 VanDerWaalsContact O-CB 3.29Å; Y493-E497 WeakPolarHBondContact O-CB 3.46Å; Y493-E497 PolarHBondContact O-N 3.32Å; F495-E497 VanDerWaalsContact C-N 3.34Å; F495-E497 PolarHBondContact O-N 3.46Å; E497-L499 VanDerWaalsContact C-N 3.29Å; E497-L499 PolarHBondContact O-N 3.11Å; E497-K500 WeakPolarHBondContact O-CB 3.27Å; E497-K500 PolarHBondContact O-N 3.35Å; E497-R501 VanDerWaalsContact CD-CD 3.44Å; E497-R501 WeakPolarHBondContact O-CG 3.35Å; E497-R501 PolarHBondContact O-N 3.09Å; E497-R501 WeakPolarHBondContact OE1-CD 3.29Å; E497-R501 IonicContact OE1-NH1 3.53Å; E497-R501 WeakPolarHBondContact OE2-CD 3.5Å; E497-H519 IonicContact OE1-NE2 2.63Å; E497-H519 IonicContact OE2-CD2 3.06Å; E497-H519 IonicContact OE2-CE1 3.43Å; E497-H519 PolarHBondContact OE2-CE1 3.07Å; E497-H519 IonicContact OE2-NE2 2.78Å; E497-H519 PolarHBondContact OE2-NE2 3.23Å
498	F	98.8	Very high	98.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.9	-44.3	178.9	-178.1	-97.5	0	0	0	111.6	L320 F395 L399 L494 F495 R501 C502 L511 A516 H519 W521 I522	L320-F498 HydrophobicContact CD1-CZ 4.26Å; F395-F498 AromaticContact CE1-CE1 3.57Å; F395-F498 HydrophobicContact CE1-CE1 3.57Å; F395-F498 AromaticContact CE1-CZ 3.7Å; F395-F498 HydrophobicContact CE1-CZ 3.7Å; F395-F498 HydrophobicContact CZ-CE1 4.13Å; F395-F498 HydrophobicContact CZ-CZ 4.24Å; L399-F498 HydrophobicContact CD1-CD1 4.13Å; L399-F498 HydrophobicContact CD1-CE1 3.62Å; L494-F498 VanDerWaalsContact O-CB 3.3Å; L494-F498 WeakPolarHBondContact O-CB 3.29Å; L494-F498 PolarHBondContact O-N 2.69Å; L494-F498 VanDerWaalsContact O-N 3.07Å; F495-F498 WeakPolarHBondContact O-CB 3.38Å; F495-F498 PolarHBondContact O-N 3.16Å; F498-R501 PolarHBondContact O-N 3.28Å; F498-C502 PolarHBondContact O-N 2.95Å; F498-C502 PolarHBondContact O-SG 2.96Å; F498-L511 HydrophobicContact CD2-CD1 3.79Å; F498-L511 HydrophobicContact CE2-CD1 3.85Å; F498-A516 HydrophobicContact CE2-CB 3.72Å; F498-A516 HydrophobicContact CZ-CB 3.86Å; F498-H519 HydrophobicContact CD2-CB 3.68Å; F498-H519 AromaticContact CD2-CG 3.45Å; F498-H519 VanDerWaalsContact CD2-CG 3.45Å; F498-H519 AromaticContact CD2-ND1 3.38Å; F498-H519 WeakPolarHBondContact CD2-ND1 3.45Å; F498-H519 HydrophobicContact CE2-CB 3.8Å; F498-W521 HydrophobicContact CB-CB 4.28Å; F498-W521 HydrophobicContact CB-CD2 4.48Å; F498-W521 HydrophobicContact CB-CE3 4.08Å; F498-W521 HydrophobicContact CD1-CD2 4.49Å; F498-W521 AromaticContact CD1-CE3 3.42Å; F498-W521 HydrophobicContact CD1-CE3 3.42Å; F498-W521 VanDerWaalsContact CD1-CE3 3.42Å; F498-W521 AromaticContact CD1-CZ3 3.52Å; F498-W521 HydrophobicContact CD1-CZ3 3.52Å; F498-W521 HydrophobicContact CD2-CE3 4.06Å; F498-W521 AromaticContact CE1-CE3 3.73Å; F498-W521 HydrophobicContact CE1-CE3 3.73Å; F498-W521 AromaticContact CE1-CZ3 3.53Å; F498-W521 HydrophobicContact CE1-CZ3 3.53Å; F498-W521 HydrophobicContact CE2-CE3 4.28Å; F498-W521 HydrophobicContact CG-CD2 4.42Å; F498-W521 AromaticContact CG-CE3 3.58Å; F498-W521 HydrophobicContact CG-CE3 3.58Å; F498-W521 HydrophobicContact CG-CZ3 4.18Å; F498-W521 HydrophobicContact CZ-CE3 4.12Å; F498-W521 HydrophobicContact CZ-CZ3 4.15Å; F498-I522 HydrophobicContact CE2-CG1 3.86Å; F498-I522 HydrophobicContact CZ-CD1 4.34Å; F498-I522 HydrophobicContact CZ-CG1 4.03Å
499	L	98.8	Very high	98.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.6	-43.9	179.9	-153.7	66	0	0	0	111.7	G396 L399 A400 W483 L487 F495 I496 E497 R501 C502 L503	G396-L499 WeakPolarHBondContact O-CD1 3.28Å; L399-L499 HydrophobicContact CB-CD1 4.12Å; A400-L499 HydrophobicContact CB-CD1 4.46Å; A400-L499 HydrophobicContact CB-CD2 3.91Å; W483-L499 HydrophobicContact CE3-CD2 4.4Å; W483-L499 HydrophobicContact CZ3-CB 4.24Å; W483-L499 HydrophobicContact CZ3-CD2 3.73Å; W483-L499 HydrophobicContact CZ3-CG 4.08Å; L487-L499 HydrophobicContact CD1-CD2 4.07Å; L487-L499 HydrophobicContact CD2-CD2 3.8Å; F495-L499 HydrophobicContact CE1-CD2 4.04Å; F495-L499 HydrophobicContact CE2-CD1 4.32Å; F495-L499 HydrophobicContact CZ-CD1 4.08Å; F495-L499 HydrophobicContact CZ-CD2 4.1Å; F495-L499 WeakPolarHBondContact O-CB 3.36Å; F495-L499 PolarHBondContact O-N 3.33Å; I496-L499 PolarHBondContact O-N 2.8Å; E497-L499 VanDerWaalsContact C-N 3.29Å; E497-L499 PolarHBondContact O-N 3.11Å; L499-R501 VanDerWaalsContact C-N 3.26Å; L499-R501 PolarHBondContact O-N 3.12Å; L499-C502 PolarHBondContact O-N 2.78Å; L499-L503 HydrophobicContact CG-CD1 4.1Å; L499-L503 WeakPolarHBondContact O-CB 3.24Å; L499-L503 WeakPolarHBondContact O-CG 3.37Å; L499-L503 PolarHBondContact O-N 2.8Å
500	K	98.8	Very high	98.3	Very high	90 Å²	90	50 Å²	50	39%	0.391	26%	0.257	S	S	.	.	H	α-helix	trans	-57.3	-40.5	173.7	-77.8	173.1	175.3	-177.9	0	111.7	W483 I496 E497 L503 H504	W483-K500 VanDerWaalsContact CD1-CE 3.46Å; W483-K500 HydrophobicContact CD2-CG 4.28Å; W483-K500 VanDerWaalsContact CE2-CE 3.42Å; W483-K500 HydrophobicContact CH2-CG 3.75Å; W483-K500 HydrophobicContact CZ2-CB 4.45Å; W483-K500 HydrophobicContact CZ2-CD 4.35Å; W483-K500 HydrophobicContact CZ2-CG 3.38Å; W483-K500 HydrophobicContact CZ3-CG 4.35Å; I496-K500 HydrophobicContact CG2-CD 4.22Å; I496-K500 WeakPolarHBondContact O-CG 3.27Å; I496-K500 PolarHBondContact O-N 2.84Å; E497-K500 WeakPolarHBondContact O-CB 3.27Å; E497-K500 PolarHBondContact O-N 3.35Å; K500-L503 CarbonylContact O-C 3.37Å; K500-L503 PolarHBondContact O-N 2.88Å; K500-H504 PolarHBondContact O-N 3.4Å
501	R	98.8	Very high	98.4	Very high	82 Å²	82	49 Å²	49	31%	0.309	25%	0.25	S	C	.	.	H	α-helix	trans	-73.8	-24.4	178.9	-67.7	-176.7	62	178.7	9.9	114.3	E497 F498 L499 R510 L511 H519	E497-R501 VanDerWaalsContact CD-CD 3.44Å; E497-R501 WeakPolarHBondContact O-CG 3.35Å; E497-R501 PolarHBondContact O-N 3.09Å; E497-R501 WeakPolarHBondContact OE1-CD 3.29Å; E497-R501 IonicContact OE1-NH1 3.53Å; E497-R501 WeakPolarHBondContact OE2-CD 3.5Å; F498-R501 PolarHBondContact O-N 3.28Å; L499-R501 VanDerWaalsContact C-N 3.26Å; L499-R501 PolarHBondContact O-N 3.12Å; R501-R510 VanDerWaalsContact O-CA 3.3Å; R501-R510 WeakPolarHBondContact O-CA 3.36Å; R501-L511 HydrophobicContact CB-CD1 3.62Å; R501-L511 HydrophobicContact CB-CG 3.75Å; R501-L511 PolarHBondContact O-N 2.8Å; R501-L511 VanDerWaalsContact O-N 3.1Å; R501-H519 PolarHBondContact NH1-CD2 2.91Å
502	C	98.9	Very high	98.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-73.7	-33.2	167.4	-67.6	0	0	0	0	112	I392 F498 L499 R510	I392-C502 HydrophobicContact CG2-CB 3.99Å; F498-C502 PolarHBondContact O-N 2.95Å; F498-C502 PolarHBondContact O-SG 2.96Å; L499-C502 PolarHBondContact O-N 2.78Å; C502-R510 VanDerWaalsContact O-CD 3.3Å; C502-R510 WeakPolarHBondContact O-CD 3.26Å
503	L	98.9	Very high	98.6	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	22%	0.218	C	C	.	.	S	Bend	trans	-103.5	24.4	-170.5	-60.4	175.2	0	0	0	113.6	W393 L408 F409 L425 W483 L499 K500	W393-L503 HydrophobicContact CD2-CD2 3.77Å; W393-L503 HydrophobicContact CE3-CB 4.42Å; W393-L503 HydrophobicContact CE3-CD2 3.94Å; W393-L503 HydrophobicContact CG-CD2 4.2Å; W393-L503 HydrophobicContact CH2-CD2 4.47Å; W393-L503 HydrophobicContact CZ2-CD2 4.28Å; W393-L503 HydrophobicContact CZ3-CB 4.21Å; W393-L503 HydrophobicContact CZ3-CD2 4.31Å; W393-L503 WeakPolarHBondContact CZ3-O 3.43Å; L408-L503 HydrophobicContact CD2-CD1 3.53Å; F409-L503 HydrophobicContact CE2-CD1 4.22Å; F409-L503 HydrophobicContact CE2-CD2 4.36Å; F409-L503 HydrophobicContact CZ-CD1 4.44Å; L425-L503 HydrophobicContact CD1-CB 4.45Å; L425-L503 WeakPolarHBondContact CD1-O 3.37Å; W483-L503 HydrophobicContact CH2-CD1 4.06Å; W483-L503 HydrophobicContact CZ3-CD1 4.47Å; L499-L503 HydrophobicContact CG-CD1 4.1Å; L499-L503 WeakPolarHBondContact O-CB 3.24Å; L499-L503 WeakPolarHBondContact O-CG 3.37Å; L499-L503 PolarHBondContact O-N 2.8Å; K500-L503 CarbonylContact O-C 3.37Å; K500-L503 PolarHBondContact O-N 2.88Å
504	H	98.7	Very high	98.6	Very high	81 Å²	81	35.9 Å²	35.9	38%	0.375	20%	0.197	S	C	.	.			trans	-62	142.6	171.2	-84.7	-55.8	0	0	0	111.4	K500 A509 R510	K500-H504 PolarHBondContact O-N 3.4Å; H504-A509 HydrophobicContact CB-CB 4.27Å; H504-A509 PolarHBondContact CD2-O 2.94Å; H504-R510 HydrophobicContact CB-CG 3.93Å; H504-R510 PolarHBondContact O-NE 2.92Å; H504-R510 PolarHBondContact O-NH2 3.11Å
505	W	98.7	Very high	98.6	Very high	22 Å²	22	36.3 Å²	36.3	8%	0.083	20%	0.197	C	C	.	.	S	Bend	trans	-60.1	-50.2	175.1	-74.8	110.1	0	0	0	112.3	P378 L418 M421 M422 L425 G426 P428 P429 L432 P507 R510	P378-W505 HydrophobicContact CB-CE3 3.61Å; P378-W505 HydrophobicContact CB-CZ3 3.46Å; P378-W505 VanDerWaalsContact CB-CZ3 3.46Å; P378-W505 HydrophobicContact CG-CE3 3.82Å; P378-W505 HydrophobicContact CG-CZ3 4.12Å; L418-W505 HydrophobicContact CD2-CH2 3.57Å; L418-W505 HydrophobicContact CD2-CZ3 3.63Å; M421-W505 HydrophobicContact CB-CH2 3.59Å; M421-W505 HydrophobicContact CB-CZ2 4.09Å; M421-W505 HydrophobicContact CB-CZ3 4.38Å; M421-W505 HydrophobicContact SD-CH2 4.48Å; M421-W505 HydrophobicContact SD-CZ3 4.42Å; M422-W505 HydrophobicContact CG-CH2 3.89Å; M422-W505 HydrophobicContact CG-CZ2 3.93Å; L425-W505 HydrophobicContact CB-CZ2 4.06Å; L425-W505 HydrophobicContact CD1-CZ2 4.46Å; L425-W505 PolarHBondContact O-NE1 2.86Å; G426-W505 VanDerWaalsContact O-CZ2 3.23Å; G426-W505 WeakPolarHBondContact O-CZ2 3.49Å; G426-W505 PolarHBondContact O-NE1 2.67Å; P428-W505 HydrophobicContact CB-CD2 3.79Å; P428-W505 HydrophobicContact CB-CE3 3.73Å; P428-W505 HydrophobicContact CB-CG 4.21Å; P428-W505 HydrophobicContact CB-CZ3 4.09Å; P428-W505 HydrophobicContact CG-CZ3 4.45Å; P429-W505 VanDerWaalsContact CD-CB 3.49Å; P429-W505 HydrophobicContact CG-CB 4.31Å; L432-W505 HydrophobicContact CD2-CB 4.08Å; L432-W505 HydrophobicContact CD2-CE3 4.45Å; W505-P507 WeakPolarHBondContact O-CD 3.16Å; W505-R510 PolarHBondContact O-NH2 3.07Å; W505-R510 VanDerWaalsContact O-NH2 3.13Å
506	D	98.4	Very high	98.6	Very high	65 Å²	65	36.3 Å²	36.3	35%	0.348	20%	0.197	S	C	.	.	S	Bend	trans	-72.8	117.7	176.8	-176.8	-9.7	0	0	0	110	S508 A509 R510	D506-S508 PolarHBondContact O-N 2.9Å; D506-S508 VanDerWaalsContact OD1-CB 3.29Å; D506-S508 WeakPolarHBondContact OD1-CB 3.08Å; D506-S508 PolarHBondContact OD1-N 2.81Å; D506-S508 PolarHBondContact OD1-OG 2.89Å; D506-A509 HydrophobicContact CB-CB 4.08Å; D506-A509 PolarHBondContact O-N 2.81Å; D506-R510 PolarHBondContact O-N 3.45Å
507	P	98.4	Very high	98.6	Very high	23 Å²	23	37.2 Å²	37.2	15%	0.149	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-58.8	-28.8	178.1	23.9	-33.8	0	0	0	113.2	P389 W505 A509 R510	P389-P507 HydrophobicContact CB-CB 3.81Å; P389-P507 WeakPolarHBondContact CB-O 3.22Å; P389-P507 HydrophobicContact CG-CB 4.19Å; W505-P507 WeakPolarHBondContact O-CD 3.16Å; P507-A509 VanDerWaalsContact C-N 3.27Å; P507-A509 PolarHBondContact O-N 3.08Å; P507-R510 PolarHBondContact O-N 2.83Å
508	S	98	Very high	98.6	Very high	107 Å²	107	42.6 Å²	42.6	75%	0.748	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-72.9	-22.4	179.8	-39.1	0	0	0	0	112.6	D506	D506-S508 PolarHBondContact O-N 2.9Å; D506-S508 VanDerWaalsContact OD1-CB 3.29Å; D506-S508 WeakPolarHBondContact OD1-CB 3.08Å; D506-S508 PolarHBondContact OD1-N 2.81Å; D506-S508 PolarHBondContact OD1-OG 2.89Å
509	A	98.3	Very high	98.5	Very high	51 Å²	51	43 Å²	43	42%	0.421	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-89.7	-10.4	177.9	0	0	0	0	0	112.9	H504 D506 P507	H504-A509 HydrophobicContact CB-CB 4.27Å; H504-A509 PolarHBondContact CD2-O 2.94Å; D506-A509 HydrophobicContact CB-CB 4.08Å; D506-A509 PolarHBondContact O-N 2.81Å; P507-A509 VanDerWaalsContact C-N 3.27Å; P507-A509 PolarHBondContact O-N 3.08Å
510	R	98.8	Very high	98.5	Very high	8 Å²	8	46.7 Å²	46.7	3%	0.03	25%	0.246	C	C	.	.	S	Bend	trans	-70.1	152.4	178.3	-67.1	178.7	-163.9	144.1	15.7	111.3	E379 P389 I392 R501 C502 H504 W505 D506 P507 T512	E379-R510 VanDerWaalsContact CD-NH1 3.34Å; E379-R510 IonicContact OE1-CZ 3.5Å; E379-R510 IonicContact OE1-NH1 3.41Å; E379-R510 PolarHBondContact OE1-NH1 3.29Å; E379-R510 IonicContact OE1-NH2 3.35Å; E379-R510 IonicContact OE2-CZ 2.83Å; E379-R510 IonicContact OE2-NH1 3.67Å; E379-R510 PolarHBondContact OE2-NH1 3.03Å; E379-R510 IonicContact OE2-NH2 3.66Å; E379-R510 PolarHBondContact OE2-NH2 3.15Å; P389-R510 PolarHBondContact O-NH1 2.92Å; I392-R510 HydrophobicContact CG2-CB 4.22Å; R501-R510 VanDerWaalsContact O-CA 3.3Å; R501-R510 WeakPolarHBondContact O-CA 3.36Å; C502-R510 VanDerWaalsContact O-CD 3.3Å; C502-R510 WeakPolarHBondContact O-CD 3.26Å; H504-R510 HydrophobicContact CB-CG 3.93Å; H504-R510 PolarHBondContact O-NE 2.92Å; H504-R510 PolarHBondContact O-NH2 3.11Å; W505-R510 PolarHBondContact O-NH2 3.07Å; W505-R510 VanDerWaalsContact O-NH2 3.13Å; D506-R510 PolarHBondContact O-N 3.45Å; P507-R510 PolarHBondContact O-N 2.83Å; R510-T512 PolarHBondContact O-N 2.88Å
511	L	98.8	Very high	98.4	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-55.6	132.1	169	-79.3	166.7	0	0	0	110.9	I392 F498 R501 Q515 A516	I392-L511 VanDerWaalsContact CG1-O 3.26Å; I392-L511 WeakPolarHBondContact CG1-O 3.25Å; I392-L511 WeakPolarHBondContact CG2-O 3.46Å; F498-L511 HydrophobicContact CD2-CD1 3.79Å; F498-L511 HydrophobicContact CE2-CD1 3.85Å; R501-L511 HydrophobicContact CB-CD1 3.62Å; R501-L511 HydrophobicContact CB-CG 3.75Å; R501-L511 PolarHBondContact O-N 2.8Å; R501-L511 VanDerWaalsContact O-N 3.1Å; L511-Q515 HydrophobicContact CD2-CB 3.59Å; L511-A516 HydrophobicContact CB-CB 4.26Å; L511-A516 HydrophobicContact CD1-CB 4.27Å
512	T	98.8	Very high	98.4	Very high	43 Å²	43	38.9 Å²	38.9	26%	0.264	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-75.4	157.5	158.2	60.6	0	0	0	0	109.8	R510 A514 Q515 A516	R510-T512 PolarHBondContact O-N 2.88Å; T512-A514 VanDerWaalsContact C-N 3.26Å; T512-A514 PolarHBondContact O-N 2.86Å; T512-Q515 PolarHBondContact O-N 3.3Å; T512-Q515 VanDerWaalsContact O-N 3.07Å; T512-Q515 WeakPolarHBondContact OG1-CB 3.37Å; T512-Q515 WeakPolarHBondContact OG1-CG 3.49Å; T512-Q515 PolarHBondContact OG1-N 2.98Å; T512-Q515 PolarHBondContact OG1-OE1 3.18Å; T512-A516 WeakPolarHBondContact O-CB 3.27Å; T512-A516 PolarHBondContact O-N 3.41Å
513	P	98.7	Very high	98.1	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.032	24%	0.235	C	C	.	.	H	α-helix	trans	-54.6	-41.1	177.4	-26.4	33.7	0	0	0	113.5	L320 L323 D324 H327 I392 Q515 A516 L517	L320-P513 HydrophobicContact CD2-CB 4.31Å; L323-P513 HydrophobicContact CB-CB 4.06Å; L323-P513 HydrophobicContact CB-CG 3.81Å; D324-P513 HydrophobicContact CB-CB 3.79Å; H327-P513 HydrophobicContact CB-CG 3.95Å; I392-P513 HydrophobicContact CD1-CG 4.02Å; I392-P513 HydrophobicContact CG1-CG 4.48Å; P513-Q515 PolarHBondContact O-N 2.95Å; P513-A516 WeakPolarHBondContact O-CB 3.24Å; P513-A516 PolarHBondContact O-N 2.89Å; P513-L517 WeakPolarHBondContact O-CG 3.28Å; P513-L517 PolarHBondContact O-N 2.84Å
514	A	98.3	Very high	97.1	Very high	27 Å²	27	49 Å²	49	22%	0.223	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-41	177.2	0	0	0	0	0	112.5	T512 R518	T512-A514 VanDerWaalsContact C-N 3.26Å; T512-A514 PolarHBondContact O-N 2.86Å; A514-R518 VanDerWaalsContact O-CZ 3.25Å; A514-R518 PolarHBondContact O-N 3.03Å; A514-R518 PolarHBondContact O-NH1 3.46Å
515	Q	98.6	Very high	95.8	Very high	80 Å²	80	50.1 Å²	50.1	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-67	-40.2	174	-70.9	162.5	-22.9	0	0	111.1	L511 T512 P513 L517 R518 H519	L511-Q515 HydrophobicContact CD2-CB 3.59Å; T512-Q515 PolarHBondContact O-N 3.3Å; T512-Q515 VanDerWaalsContact O-N 3.07Å; T512-Q515 WeakPolarHBondContact OG1-CB 3.37Å; T512-Q515 WeakPolarHBondContact OG1-CG 3.49Å; T512-Q515 PolarHBondContact OG1-N 2.98Å; T512-Q515 PolarHBondContact OG1-OE1 3.18Å; P513-Q515 PolarHBondContact O-N 2.95Å; Q515-L517 PolarHBondContact O-N 3.41Å; Q515-R518 CarbonylContact O-C 3.45Å; Q515-R518 PolarHBondContact O-N 3.44Å; Q515-R518 VanDerWaalsContact O-N 3.14Å; Q515-H519 PolarHBondContact O-N 3.39Å; Q515-H519 VanDerWaalsContact O-N 3.14Å
516	A	98.6	Very high	94.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-41.3	177.9	0	0	0	0	0	112.2	L320 F498 L511 T512 P513 R518 H519 I522	L320-A516 HydrophobicContact CD1-CB 3.91Å; L320-A516 HydrophobicContact CD2-CB 3.62Å; L320-A516 HydrophobicContact CG-CB 4.44Å; F498-A516 HydrophobicContact CE2-CB 3.72Å; F498-A516 HydrophobicContact CZ-CB 3.86Å; L511-A516 HydrophobicContact CB-CB 4.26Å; L511-A516 HydrophobicContact CD1-CB 4.27Å; T512-A516 WeakPolarHBondContact O-CB 3.27Å; T512-A516 PolarHBondContact O-N 3.41Å; P513-A516 WeakPolarHBondContact O-CB 3.24Å; P513-A516 PolarHBondContact O-N 2.89Å; A516-R518 PolarHBondContact O-N 2.89Å; A516-H519 WeakPolarHBondContact O-CB 3.42Å; A516-H519 PolarHBondContact O-N 3.29Å; A516-I522 WeakPolarHBondContact O-CG1 3.44Å
517	L	98.1	Very high	93.3	Very high	39 Å²	39	57.1 Å²	57.1	20%	0.204	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-29	174.7	-76.9	168.2	0	0	0	113.3	L320 D324 P513 Q515	L320-L517 HydrophobicContact CB-CD2 3.66Å; L320-L517 HydrophobicContact CB-CG 3.93Å; L320-L517 HydrophobicContact CD1-CD2 4.11Å; L320-L517 HydrophobicContact CD1-CG 4.29Å; D324-L517 HydrophobicContact CB-CD1 4.07Å; P513-L517 WeakPolarHBondContact O-CG 3.28Å; P513-L517 PolarHBondContact O-N 2.84Å; Q515-L517 PolarHBondContact O-N 3.41Å
518	R	97.9	Very high	91.9	Very high	165 Å²	165	66.7 Å²	66.7	62%	0.623	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-4.6	176.9	-65.5	-172.2	-62.2	-87.7	3	113.7	A514 Q515 A516	A514-R518 VanDerWaalsContact O-CZ 3.25Å; A514-R518 PolarHBondContact O-N 3.03Å; A514-R518 PolarHBondContact O-NH1 3.46Å; Q515-R518 CarbonylContact O-C 3.45Å; Q515-R518 PolarHBondContact O-N 3.44Å; Q515-R518 VanDerWaalsContact O-N 3.14Å; A516-R518 PolarHBondContact O-N 2.89Å
519	H	98.3	Very high	90.6	Very high	8 Å²	8	67.7 Å²	67.7	4%	0.037	37%	0.369	C	S	.	.	S	Bend	trans	-63.8	140.8	-177.5	-165.9	-100.9	0	0	0	111.7	E497 F498 R501 Q515 A516 W521 I522 S523	E497-H519 IonicContact OE1-NE2 2.63Å; E497-H519 IonicContact OE2-CD2 3.06Å; E497-H519 IonicContact OE2-CE1 3.43Å; E497-H519 PolarHBondContact OE2-CE1 3.07Å; E497-H519 IonicContact OE2-NE2 2.78Å; E497-H519 PolarHBondContact OE2-NE2 3.23Å; F498-H519 HydrophobicContact CD2-CB 3.68Å; F498-H519 AromaticContact CD2-CG 3.45Å; F498-H519 VanDerWaalsContact CD2-CG 3.45Å; F498-H519 AromaticContact CD2-ND1 3.38Å; F498-H519 WeakPolarHBondContact CD2-ND1 3.45Å; F498-H519 HydrophobicContact CE2-CB 3.8Å; R501-H519 PolarHBondContact NH1-CD2 2.91Å; Q515-H519 PolarHBondContact O-N 3.39Å; Q515-H519 VanDerWaalsContact O-N 3.14Å; A516-H519 WeakPolarHBondContact O-CB 3.42Å; A516-H519 PolarHBondContact O-N 3.29Å; H519-W521 WeakPolarHBondContact ND1-CB 3.2Å; H519-W521 PolarHBondContact ND1-N 2.92Å; H519-W521 PolarHBondContact O-N 3.33Å; H519-W521 VanDerWaalsContact O-N 3.08Å; H519-I522 WeakPolarHBondContact O-CA 3.47Å; H519-I522 PolarHBondContact O-N 3.45Å; H519-S523 PolarHBondContact O-N 3.27Å
520	P	97.4	Very high	89.4	Confident	78 Å²	78	72.8 Å²	72.8	51%	0.506	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.2	-178.6	-27.6	35.6	0	0	0	115.2	L494	L494-P520 HydrophobicContact CD2-CB 4.2Å
521	W	97.9	Very high	88.1	Confident	0 Å²	0	79 Å²	79	0%	0	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-40.1	172.1	-177.5	65.9	0	0	0	112.1	V309 V312 R313 A316 L399 L494 F495 F498 H519	V309-W521 HydrophobicContact CG2-CZ2 4.25Å; V312-W521 HydrophobicContact CG1-CH2 4.17Å; V312-W521 HydrophobicContact CG1-CZ2 4.4Å; R313-W521 HydrophobicContact CB-CH2 4.28Å; R313-W521 HydrophobicContact CB-CZ2 3.81Å; R313-W521 WeakPolarHBondContact CD-O 3.47Å; R313-W521 HydrophobicContact CG-CZ2 4.23Å; R313-W521 PolarHBondContact NE-O 2.88Å; R313-W521 VanDerWaalsContact NE-O 3.07Å; R313-W521 PolarHBondContact NH1-O 2.73Å; A316-W521 HydrophobicContact CB-CH2 3.75Å; A316-W521 HydrophobicContact CB-CZ3 3.68Å; L399-W521 HydrophobicContact CD1-CH2 3.91Å; L399-W521 HydrophobicContact CD1-CZ3 3.75Å; L494-W521 HydrophobicContact CB-CB 3.98Å; L494-W521 HydrophobicContact CB-CG 4.43Å; F495-W521 HydrophobicContact CB-CD2 4.48Å; F495-W521 HydrophobicContact CB-CG 4.47Å; F495-W521 AromaticContact CD2-CD2 3.99Å; F495-W521 HydrophobicContact CD2-CD2 3.99Å; F495-W521 AromaticContact CD2-CE2 3.42Å; F495-W521 VanDerWaalsContact CD2-CE2 3.42Å; F495-W521 HydrophobicContact CD2-CE3 4.26Å; F495-W521 AromaticContact CD2-CH2 3.57Å; F495-W521 HydrophobicContact CD2-CH2 3.57Å; F495-W521 AromaticContact CD2-CZ2 3.22Å; F495-W521 HydrophobicContact CD2-CZ2 3.22Å; F495-W521 HydrophobicContact CD2-CZ3 4.06Å; F495-W521 AromaticContact CD2-NE1 3.87Å; F495-W521 AromaticContact CE2-CH2 3.67Å; F495-W521 HydrophobicContact CE2-CH2 3.67Å; F495-W521 AromaticContact CE2-CZ2 3.7Å; F495-W521 HydrophobicContact CE2-CZ2 3.7Å; F495-W521 HydrophobicContact CE2-CZ3 4.28Å; F495-W521 HydrophobicContact CG-CZ2 4.18Å; F498-W521 HydrophobicContact CB-CB 4.28Å; F498-W521 HydrophobicContact CB-CD2 4.48Å; F498-W521 HydrophobicContact CB-CE3 4.08Å; F498-W521 HydrophobicContact CD1-CD2 4.49Å; F498-W521 AromaticContact CD1-CE3 3.42Å; F498-W521 HydrophobicContact CD1-CE3 3.42Å; F498-W521 VanDerWaalsContact CD1-CE3 3.42Å; F498-W521 AromaticContact CD1-CZ3 3.52Å; F498-W521 HydrophobicContact CD1-CZ3 3.52Å; F498-W521 HydrophobicContact CD2-CE3 4.06Å; F498-W521 AromaticContact CE1-CE3 3.73Å; F498-W521 HydrophobicContact CE1-CE3 3.73Å; F498-W521 AromaticContact CE1-CZ3 3.53Å; F498-W521 HydrophobicContact CE1-CZ3 3.53Å; F498-W521 HydrophobicContact CE2-CE3 4.28Å; F498-W521 HydrophobicContact CG-CD2 4.42Å; F498-W521 AromaticContact CG-CE3 3.58Å; F498-W521 HydrophobicContact CG-CE3 3.58Å; F498-W521 HydrophobicContact CG-CZ3 4.18Å; F498-W521 HydrophobicContact CZ-CE3 4.12Å; F498-W521 HydrophobicContact CZ-CZ3 4.15Å; H519-W521 WeakPolarHBondContact ND1-CB 3.2Å; H519-W521 PolarHBondContact ND1-N 2.92Å; H519-W521 PolarHBondContact O-N 3.33Å; H519-W521 VanDerWaalsContact O-N 3.08Å
522	I	97.4	Very high	86.4	Confident	7 Å²	7	84.8 Å²	84.8	4%	0.036	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-52.7	-178.3	-64.4	-65	0	0	0	111.6	R313 A316 Q317 L320 F498 A516 H519 K524	R313-I522 HydrophobicContact CG-CD1 4.28Å; A316-I522 HydrophobicContact CB-CD1 3.67Å; Q317-I522 HydrophobicContact CG-CD1 4.39Å; Q317-I522 HydrophobicContact CG-CG2 3.84Å; Q317-I522 PolarHBondContact NE2-O 2.95Å; L320-I522 HydrophobicContact CD1-CD1 4.17Å; L320-I522 HydrophobicContact CD1-CG1 4.17Å; F498-I522 HydrophobicContact CE2-CG1 3.86Å; F498-I522 HydrophobicContact CZ-CD1 4.34Å; F498-I522 HydrophobicContact CZ-CG1 4.03Å; A516-I522 WeakPolarHBondContact O-CG1 3.44Å; H519-I522 WeakPolarHBondContact O-CA 3.47Å; H519-I522 PolarHBondContact O-N 3.45Å; I522-K524 PolarHBondContact O-N 2.85Å
523	S	92.8	Very high	84.3	Confident	62 Å²	62	90.1 Å²	90.1	43%	0.434	49%	0.488	S	S	.	.	S	Bend	trans	-87.2	99.8	-178.1	-174.1	0	0	0	0	109.3	H519 S525	H519-S523 PolarHBondContact O-N 3.27Å; S523-S525 PolarHBondContact O-N 3.49Å
524	K	77.3	Confident	81.8	Confident	153 Å²	153	96.2 Å²	96.2	67%	0.665	52%	0.521	S	S	*	.			trans	-71.1	113.2	168	-71.6	-172.1	177.2	-174.7	0	107.8	R313 I522 V526	R313-K524 VanDerWaalsContact NH1-CE 3.34Å; I522-K524 PolarHBondContact O-N 2.85Å; K524-V526 PolarHBondContact O-N 2.95Å; K524-V526 VanDerWaalsContact O-N 3.15Å
525	S	73.1	Confident	79.5	Confident	106 Å²	106	105 Å²	105	74%	0.741	55%	0.554	S	S	*	*			trans	-56.1	119.7	163.9	-175.3	0	0	0	0	107.7	S523 P527	S523-S525 PolarHBondContact O-N 3.49Å; S525-P527 VanDerWaalsContact O-CD 3.24Å; S525-P527 WeakPolarHBondContact O-CD 3.25Å
526	V	71.3	Confident	76.8	Confident	127 Å²	127	107 Å²	107	77%	0.77	57%	0.571	S	S	*	*			trans	-73.8	114	170	179.7	0	0	0	0	105.6	K524 R528	K524-V526 PolarHBondContact O-N 2.95Å; K524-V526 VanDerWaalsContact O-N 3.15Å; V526-R528 PolarHBondContact O-N 2.86Å
527	P	71.5	Confident	74	Confident	107 Å²	107	112.6 Å²	112.6	70%	0.695	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-57.3	136	176.7	-19.9	32.5	0	0	0	108.6	S525	S525-P527 VanDerWaalsContact O-CD 3.24Å; S525-P527 WeakPolarHBondContact O-CD 3.25Å
528	R	70.6	Confident	71.1	Confident	224 Å²	224	114.2 Å²	114.2	85%	0.845	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-56.6	143.2	171.5	-72.9	-175.7	-72	-97.7	1.4	108.6	V526 L530	V526-R528 PolarHBondContact O-N 2.86Å; R528-L530 PolarHBondContact O-N 3.47Å; R528-L530 VanDerWaalsContact O-N 3.12Å
529	P	69.5	Low	68.3	Low	127 Å²	127	116.2 Å²	116.2	83%	0.825	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-51.1	123.5	175.5	-23.5	32.1	0	0	0	109.4	T531	P529-T531 PolarHBondContact O-N 3.48Å
530	L	73.9	Confident	65.2	Low	159 Å²	159	127.2 Å²	127.2	83%	0.832	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-66.4	123.5	175.2	-68.5	168.6	0	0	0	107.5	R528 T532	R528-L530 PolarHBondContact O-N 3.47Å; R528-L530 VanDerWaalsContact O-N 3.12Å; L530-T532 PolarHBondContact O-N 3.49Å
531	T	71.3	Confident	62.3	Low	138 Å²	138	130.5 Å²	130.5	85%	0.847	70%	0.703	S	S	*	*			trans	-61.7	110.1	172	20.2	0	0	0	0	108.6	P529 I533	P529-T531 PolarHBondContact O-N 3.48Å; T531-I533 PolarHBondContact O-N 2.84Å
532	T	63.2	Low	59.1	Low	125 Å²	125	137.1 Å²	137.1	77%	0.767	74%	0.743	S	S	*	*			trans	-72.7	112.8	173.1	-14.8	0	0	0	0	106.9	L530 D534	L530-T532 PolarHBondContact O-N 3.49Å; T532-D534 VanDerWaalsContact C-N 3.32Å; T532-D534 PolarHBondContact O-N 2.94Å
533	I	54	Low	56	Low	155 Å²	155	143.7 Å²	143.7	80%	0.795	78%	0.778	S	S	*	*			trans	-74.4	93.7	171.4	-60.5	174.2	0	0	0	106.4	T531 K535	T531-I533 PolarHBondContact O-N 2.84Å; I533-K535 PolarHBondContact O-N 2.95Å; I533-K535 VanDerWaalsContact O-N 3.14Å
534	D	47.3	Very low	54.2	Low	134 Å²	134	146.1 Å²	146.1	72%	0.717	79%	0.792	S	S	*	*			trans	-67.5	107.3	164.2	-80.1	-28.3	0	0	0	108.3	T532 V536	T532-D534 VanDerWaalsContact C-N 3.32Å; T532-D534 PolarHBondContact O-N 2.94Å; D534-V536 VanDerWaalsContact C-N 3.28Å; D534-V536 HydrophobicContact CB-CG2 4.45Å; D534-V536 PolarHBondContact O-N 3.49Å
535	K	49.9	Very low	52	Low	210 Å²	210	143.1 Å²	143.1	91%	0.913	80%	0.796	S	S	*	*			trans	-67.2	91.8	160.3	-82.8	-176.7	176.2	177.9	0	107.7	I533	I533-K535 PolarHBondContact O-N 2.95Å; I533-K535 VanDerWaalsContact O-N 3.14Å
536	V	40.7	Very low	50.1	Low	123 Å²	123	143.9 Å²	143.9	75%	0.745	80%	0.801	S	S	*	*			trans	-111.1	122.3	159.2	-177.9	0	0	0	0	108.8	D534	D534-V536 VanDerWaalsContact C-N 3.28Å; D534-V536 HydrophobicContact CB-CG2 4.45Å; D534-V536 PolarHBondContact O-N 3.49Å
537	S	41.5	Very low	48.2	Very low	117 Å²	117	141.8 Å²	141.8	82%	0.818	80%	0.797	S	S	*	*			trans	-50.7	137.7	171.5	58.9	0	0	0	0	112
538	G	36.9	Very low	46.3	Very low	73 Å²	73	146.1 Å²	146.1	75%	0.753	81%	0.806	S	S	*	*			trans	176	70.7	171	0	0	0	0	0	112	R540	G538-R540 PolarHBondContact O-N 3.17Å
539	K	38.6	Very low	44.5	Very low	207 Å²	207	144.6 Å²	144.6	90%	0.9	81%	0.808	S	S	*	*			trans	-55.5	119	161.2	-79.4	179	175.1	177.8	0	108.1
540	R	32.8	Very low	42.7	Very low	239 Å²	239	141.5 Å²	141.5	90%	0.902	80%	0.8	S	S	*	*			trans	-136.1	108.9	148.2	-130.3	178.5	-173.5	-179	1.5	108.9	G538	G538-R540 PolarHBondContact O-N 3.17Å
541	I	35.9	Very low	40.8	Very low	147 Å²	147	142.8 Å²	142.8	75%	0.754	81%	0.806	S	S	*	*			trans	-71	124.6	167.9	-65.5	166.7	0	0	0	106.9
542	V	32.1	Very low	38.8	Very low	139 Å²	139	139.7 Å²	139.7	84%	0.842	80%	0.801	S	S	*	*			trans	-140.5	125	145.2	-175.3	0	0	0	0	107.2
543	N	32.7	Very low	37.4	Very low	146 Å²	146	139 Å²	139	78%	0.781	80%	0.802	S	S	*	*			trans	-83	168.1	-176.1	-111.1	-1.9	0	0	0	112.4
544	P	54.5	Low	36.5	Very low	113 Å²	113	141.6 Å²	141.6	73%	0.734	81%	0.807	S	S	*	*			trans	-95.9	155.3	-162.6	37.5	-33.2	0	0	0	113.3
545	A	31.8	Very low	35.8	Very low	90 Å²	90	143.4 Å²	143.4	74%	0.744	82%	0.816	S	S	*	*			trans	-176.9	137.1	145.5	0	0	0	0	0	114.1
546	S	31.3	Very low	35.6	Very low	122 Å²	122	139 Å²	139	85%	0.853	81%	0.809	S	S	*	*			trans	72.2	138.7	154.4	77.3	0	0	0	0	117.4
547	A	32.6	Very low	35.8	Very low	83 Å²	83	138.7 Å²	138.7	69%	0.686	81%	0.81	S	S	*	*			cis	-160.8	133.3	6.4	0	0	0	0	0	107.3
548	F	31.7	Very low	35.4	Very low	198 Å²	198	139.7 Å²	139.7	87%	0.868	81%	0.81	S	S	*	*				73.1	137.9	106.7	-97.7	-80.8	0	0	0	120.3
549	Q	33	Very low	35.2	Very low	191 Å²	191	142.6 Å²	142.6	89%	0.893	81%	0.813	S	S	*	*			trans	82.4	131.6	162.2	-61.8	173.7	-3.6	0	0	117.5
550	G	30.1	Very low	34.8	Very low	63 Å²	63	135.7 Å²	135.7	65%	0.649	80%	0.8	S	S	*	*			cis	170.7	169.4	3.4	0	0	0	0	0	110.8
551	L	34.5	Very low	34.8	Very low	186 Å²	186	132.6 Å²	132.6	97%	0.974	80%	0.8	S	S	*	*			trans	77.8	117.9	174.6	-60.3	124.3	0	0	0	116.4
552	G	29.5	Very low	34.6	Very low	72 Å²	72	129.9 Å²	129.9	74%	0.742	80%	0.8	S	S	*	*			cis	103.6	95.5	20.8	0	0	0	0	0	110
553	S	33.9	Very low	34.6	Very low	111 Å²	111	129.8 Å²	129.8	78%	0.776	80%	0.795	S	S	*	*				-174.9	113.3	107.3	54.3	0	0	0	0	111.2
554	K	34.7	Very low	34.6	Very low	209 Å²	209	131.9 Å²	131.9	91%	0.909	80%	0.797	S	S	*	*				68.9	108.5	98.1	-72.2	-170.6	179.1	-178.3	0	117.3
555	L	33.8	Very low	33.5	Very low	173 Å²	173	135.2 Å²	135.2	91%	0.906	81%	0.807	S	S	*	*			trans	-140.8	148.1	141	-89.7	167.5	0	0	0	108.5
556	P	44.2	Very low	33.4	Very low	117 Å²	117	140.4 Å²	140.4	76%	0.76	81%	0.813	S	S	*	*			trans	-91.5	162.6	-159.6	35.5	-34.7	0	0	0	114.9
557	P	45.9	Very low	33.4	Very low	117 Å²	117	138.4 Å²	138.4	76%	0.76	80%	0.804	S	S	*	*			trans	-107.8	149.4	179.6	38.2	-27.8	0	0	0	113
558	V	32.7	Very low	33.2	Very low	137 Å²	137	141.4 Å²	141.4	83%	0.83	81%	0.809	S	S	*	*			trans	-146.1	111.4	153.5	179.6	0	0	0	0	110.3
559	V	33.2	Very low	33	Very low	135 Å²	135	138.3 Å²	138.3	82%	0.818	80%	0.801	S	S	*	*			trans	40	119.7	134.6	-166.3	0	0	0	0	116.8
560	G	29.7	Very low	32.9	Very low	61 Å²	61	136.8 Å²	136.8	63%	0.629	80%	0.795	S	S	*	*			cis	111.3	115.2	36.6	0	0	0	0	0	108.6
561	I	32.1	Very low	32.9	Very low	174 Å²	174	137.8 Å²	137.8	89%	0.892	79%	0.792	S	S	*	*			trans	-171.6	116	143.2	-87.8	146.5	0	0	0	106.2
562	A	32.9	Very low	32.7	Very low	90 Å²	90	137.3 Å²	137.3	74%	0.744	79%	0.785	S	S	*	*			trans	-112.9	134.4	163	0	0	0	0	0	107.3
563	N	32.4	Very low	32.8	Very low	138 Å²	138	140 Å²	140	74%	0.738	79%	0.787	S	S	*	*			trans	-150.6	106.7	152.4	-92	-32.7	0	0	0	106.5
564	K	32.5	Very low	32.6	Very low	190 Å²	190	142.7 Å²	142.7	83%	0.826	79%	0.793	S	S	*	*				60.5	108	104	-79.2	-176.8	177.5	175.4	0	112.3
565	L	31.7	Very low	32.3	Very low	183 Å²	183	136.4 Å²	136.4	96%	0.958	79%	0.788	S	S	*	*				-145.8	130.7	121.7	-98.6	171.3	0	0	0	109.2
566	K	28.3	Very low	32.1	Very low	198 Å²	198	133.8 Å²	133.8	86%	0.861	78%	0.783	S	S	*	*			trans	-95.7	147.1	-168.5	-166.2	178.2	-178.4	-178.1	0	108.5
567	A	31.6	Very low	31.7	Very low	81 Å²	81	135 Å²	135	67%	0.669	78%	0.782	S	S	*	*			trans	-51.8	159.9	170.5	0	0	0	0	0	114.5
568	N	27.6	Very low	31.2	Very low	146 Å²	146	135.2 Å²	135.2	78%	0.781	78%	0.783	S	S	*	*			trans	-175.3	143.4	140.9	-93.4	-10.1	0	0	0	107.3
569	L	29.6	Very low	31.1	Very low	133 Å²	133	136.3 Å²	136.3	70%	0.696	78%	0.784	S	S	*	*			cis	179.6	136.7	-1.1	-175.1	64.9	0	0	0	107
570	M	30	Very low	30.8	Very low	159 Å²	159	135.7 Å²	135.7	78%	0.783	78%	0.784	S	S	*	*			trans	58.2	151.4	146.1	-62.1	-83.9	110	0	0	120.5
571	S	29.3	Very low	30.8	Very low	84 Å²	84	138.1 Å²	138.1	59%	0.587	79%	0.791	S	S	*	*			cis	-174.4	149.6	-7	54.1	0	0	0	0	108.9
572	E	30.6	Very low	30.7	Very low	176 Å²	176	135.8 Å²	135.8	82%	0.822	79%	0.785	S	S	*	*			trans	66.6	140.5	144.3	-68.6	-175	-163.2	0	0	119.3
573	T	32.1	Very low	30.5	Very low	127 Å²	127	139.3 Å²	139.3	78%	0.779	79%	0.79	S	S	*	*			cis	-151.6	157.9	41.2	39.4	0	0	0	0	114.3
574	N	29.1	Very low	30.6	Very low	169 Å²	169	138.2 Å²	138.2	90%	0.904	79%	0.791	S	S	*	*			trans	-44.6	149.5	171.7	-66.4	-42.2	0	0	0	117.7
575	G	29.1	Very low	30.3	Very low	77 Å²	77	138.3 Å²	138.3	79%	0.794	79%	0.792	S	S	*	*			trans	-166.2	93.2	162.7	0	0	0	0	0	111.4
576	S	28.6	Very low	30.1	Very low	117 Å²	117	138 Å²	138	82%	0.818	79%	0.79	S	S	*	*			trans	-63	145	-178.9	42.9	0	0	0	0	115.1
577	I	36.7	Very low	30.3	Very low	143 Å²	143	136.2 Å²	136.2	73%	0.733	79%	0.788	S	S	*	*			trans	-57.5	153.6	168.5	-60.3	159.9	0	0	0	111.2	L579	I577-L579 HydrophobicContact CG2-CD1 4.28Å
578	P	36.2	Very low	30.5	Very low	121 Å²	121	141.3 Å²	141.3	79%	0.786	82%	0.819	S	S	*	*				-129.1	140.3	118.6	32.9	-22.6	0	0	0	113.4
579	L	29.9	Very low	30.6	Very low	160 Å²	160	141.1 Å²	141.1	84%	0.838	82%	0.821	S	S	*	*			trans	-59.6	134.5	164.9	-81	98.6	0	0	0	109.5	I577	I577-L579 HydrophobicContact CG2-CD1 4.28Å
580	C	27.1	Very low	30.7	Very low	122 Å²	122	141.5 Å²	141.5	82%	0.824	83%	0.827	S	S	*	*			trans	-126	105.3	157.9	-107.2	0	0	0	0	109.3
581	S	29.4	Very low	30.7	Very low	112 Å²	112	140.6 Å²	140.6	78%	0.783	83%	0.83	S	S	*	*			trans	-73.3	118.2	163.8	49.7	0	0	0	0	109.9
582	V	29.1	Very low	30.8	Very low	126 Å²	126	143.9 Å²	143.9	76%	0.764	84%	0.844	S	S	*	*			trans	-144.3	110.8	162.4	-167.7	0	0	0	0	110.5
583	L	30.7	Very low	30.8	Very low	163 Å²	163	141.9 Å²	141.9	85%	0.853	85%	0.845	S	S	*	*			trans	-70	146.5	158.1	-86.9	150.8	0	0	0	110.1
584	P	33.3	Very low	30.7	Very low	116 Å²	116	142.9 Å²	142.9	75%	0.753	85%	0.85	S	S	*	*			trans	-125.1	112.1	137.8	8.6	12.5	0	0	0	109.6
585	K	26.8	Very low	30.8	Very low	192 Å²	192	141 Å²	141	84%	0.835	85%	0.846	S	S	*	*				45.9	101.3	94.2	-85.7	-173	177.3	178.2	0	114.5
586	L	26.6	Very low	31	Very low	176 Å²	176	145.9 Å²	145.9	92%	0.921	85%	0.85	S	S	*	*			trans	-41.4	130.8	147.6	-76.4	124.2	0	0	0	111.8
587	I	32.7	Very low	31.2	Very low	161 Å²	161	148.3 Å²	148.3	83%	0.826	85%	0.853	S	S	*	*			trans	-146.6	127.8	144.3	-60.9	-172.8	0	0	0	109.5
588	S	35.5	Very low	30.7	Very low	188 Å²	188	148.8 Å²	148.8	100%	1.315	86%	0.863	S	S	*	*			trans	64.8	0	161.7	-149.1	0	0	0	0	121.4

Retrieved 588 of 588 residues in 739 ms (Link to these results)

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