A0A087Y781_POEFO Loading...

DNA repair and recombination protein RAD54-like

AlphaFold DB , UniProt , Accession A0A087Y781, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 636 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	37.8	Very low	41.2	Very low	248 Å²	248	169.9 Å²	169.9	100%	1.222	85%	0.849	S	S	*	*				0	137.2	0	-75.4	-179.6	-175.3	0	0	107.8
2	R	33	Very low	41.3	Very low	251 Å²	251	166.5 Å²	166.5	95%	0.947	85%	0.848	S	S	*	*			trans	-72.5	141.5	-143	-72	174.9	178.3	168.5	-1.4	116.7
3	E	35.8	Very low	40.8	Very low	157 Å²	157	167 Å²	167	73%	0.734	85%	0.852	S	S	*	*			trans	-52.3	152.8	159.8	-62.1	160.4	161.5	0	0	113.1	H5	E3-H5 IonicContact OE1-CD2 3.22Å; E3-H5 IonicContact OE1-NE2 2.65Å; E3-H5 IonicContact OE2-CD2 2.8Å
4	S	41	Very low	41.4	Very low	129 Å²	129	164.4 Å²	164.4	90%	0.902	85%	0.849	S	S	*	*			trans	-126.9	94.5	135.9	45	0	0	0	0	108.2
5	H	45.5	Very low	41	Very low	144 Å²	144	165.2 Å²	165.2	67%	0.667	85%	0.847	S	S	*	*			trans	-70.9	149.1	168.4	-99.4	-68.7	0	0	0	111.1	E3	E3-H5 IonicContact OE1-CD2 3.22Å; E3-H5 IonicContact OE1-NE2 2.65Å; E3-H5 IonicContact OE2-CD2 2.8Å
6	I	41.9	Very low	40.8	Very low	162 Å²	162	162.6 Å²	162.6	83%	0.831	84%	0.835	S	S	*	*			trans	162.1	113.1	139	-83.3	155.4	0	0	0	106
7	S	37.9	Very low	40.4	Very low	103 Å²	103	161.2 Å²	161.2	72%	0.72	83%	0.829	S	S	*	*				97.9	141.1	51.9	179.3	0	0	0	0	112.3	C9	S7-C9 PolarHBondContact O-N 2.56Å
8	P	49.8	Very low	40.1	Very low	118 Å²	118	163.2 Å²	163.2	77%	0.766	83%	0.831	S	S	*	*	S	Bend	trans	-106.4	52	-131	41.4	-36.8	0	0	0	115.1
9	C	46.7	Very low	39.7	Very low	112 Å²	112	167.6 Å²	167.6	76%	0.757	84%	0.836	S	S	*	*			trans	-146.3	90.3	177.9	-71.9	0	0	0	0	112	S7	S7-C9 PolarHBondContact O-N 2.56Å
10	R	35	Very low	39.9	Very low	251 Å²	251	164.7 Å²	164.7	95%	0.947	83%	0.83	S	S	*	*			trans	167.5	109	141.6	-92.4	161.2	-171.3	-159.2	3.5	112
11	K	48.4	Very low	39.8	Very low	194 Å²	194	160.6 Å²	160.6	84%	0.843	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-81.2	140.9	164.9	-62.4	177.1	177	177.1	0	109.4
12	P	42.4	Very low	39.5	Very low	129 Å²	129	154.6 Å²	154.6	84%	0.838	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-73.3	136.1	159.5	-12.7	28.8	0	0	0	110.1
13	L	34.7	Very low	40.2	Very low	173 Å²	173	151.7 Å²	151.7	91%	0.906	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-73.7	135	-159.4	-70	140	0	0	0	114
14	T	49.3	Very low	40.6	Very low	131 Å²	131	153 Å²	153	80%	0.804	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-81	155	153.6	30.4	0	0	0	0	109.8
15	Q	35.9	Very low	40.8	Very low	176 Å²	176	150 Å²	150	82%	0.822	80%	0.798	S	S	*	*			trans	170.8	141.1	149.2	-96.1	-164.8	2.6	0	0	107.2
16	L	38.2	Very low	41.4	Very low	124 Å²	124	149.6 Å²	149.6	65%	0.649	80%	0.801	S	S	*	*			cis	-163.9	154.5	7.6	-88.5	149.2	0	0	0	103.4
17	N	32.7	Very low	42.1	Very low	138 Å²	138	152.7 Å²	152.7	74%	0.738	80%	0.802	S	S	*	*			cis	-169.4	148.8	30.3	-113.8	-24.5	0	0	0	108.8
18	K	36.1	Very low	43	Very low	197 Å²	197	153.9 Å²	153.9	86%	0.857	80%	0.796	S	S	*	*			trans	-83.1	146.9	160.2	-74.7	178.5	173.3	-179.9	0	109.6
19	W	32.3	Very low	43.7	Very low	248 Å²	248	153.2 Å²	153.2	94%	0.939	78%	0.783	S	S	*	*			trans	-161.7	163.8	133.6	-112.4	-25.3	0	0	0	111.6
20	P	44.3	Very low	44.6	Very low	109 Å²	109	151.3 Å²	151.3	71%	0.708	77%	0.771	S	S	*	*				-123.7	164	-127.6	37.4	-18.6	0	0	0	114.9
21	G	36.2	Very low	46.1	Very low	79 Å²	79	145.4 Å²	145.4	81%	0.814	75%	0.752	S	S	*	*			trans	81.2	102.8	145.3	0	0	0	0	0	118
22	C	32.1	Very low	46.8	Very low	121 Å²	121	139.4 Å²	139.4	82%	0.818	73%	0.729	S	S	*	*			trans	-161.1	108.6	135.3	-150.5	0	0	0	0	109.2	E24	C22-E24 PolarHBondContact O-N 3.28Å; C22-E24 VanDerWaalsContact O-N 3.13Å
23	M	47.3	Very low	47.8	Very low	191 Å²	191	141.2 Å²	141.2	94%	0.941	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	91	175.1	-69.9	-179.7	67.6	0	0	109.3
24	E	45.6	Very low	49.2	Very low	185 Å²	185	135.5 Å²	135.5	86%	0.864	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-172.5	21.1	156.2	-112.9	175.6	-173.5	0	0	113.7	C22	C22-E24 PolarHBondContact O-N 3.28Å; C22-E24 VanDerWaalsContact O-N 3.13Å
25	A	45.4	Very low	49.8	Very low	65 Å²	65	133.5 Å²	133.5	54%	0.537	68%	0.677	S	S	.	*			trans	-90.2	-7.8	-171	0	0	0	0	0	115.4	R27 E29	A25-R27 PolarHBondContact O-N 3.38Å; A25-E29 PolarHBondContact O-N 3.11Å
26	D	57.6	Low	50.8	Low	136 Å²	136	131.8 Å²	131.8	73%	0.727	67%	0.673	S	S	*	*	H	α-helix	trans	-75.9	-28.6	-168.2	-113.2	-14.3	0	0	0	113.8	S30	D26-S30 WeakPolarHBondContact O-CB 3.24Å; D26-S30 PolarHBondContact O-N 3.48Å; D26-S30 PolarHBondContact O-OG 3.12Å
27	R	55.5	Low	51.9	Low	226 Å²	226	130.2 Å²	130.2	85%	0.853	67%	0.672	S	S	*	*	H	α-helix	trans	-78.3	-33.9	177	-79.2	-174.9	173.5	-178.3	-0.7	112.9	A25 F31	A25-R27 PolarHBondContact O-N 3.38Å; R27-F31 WeakPolarHBondContact O-CB 3.47Å; R27-F31 PolarHBondContact O-N 3.01Å
28	H	56.5	Low	52.8	Low	129 Å²	129	130.8 Å²	130.8	60%	0.597	67%	0.668	S	S	*	*	H	α-helix	trans	-75	-45.1	-179.8	-169.3	73.4	0	0	0	111.5	S30 F31 I32	H28-S30 VanDerWaalsContact C-N 3.35Å; H28-S30 PolarHBondContact O-N 3.21Å; H28-F31 PolarHBondContact O-N 3.45Å; H28-I32 WeakPolarHBondContact O-CB 3.49Å; H28-I32 WeakPolarHBondContact O-CG1 3.5Å; H28-I32 PolarHBondContact O-N 3.18Å
29	E	65.4	Low	53.8	Low	103 Å²	103	127.1 Å²	127.1	48%	0.481	66%	0.664	S	S	.	*	H	α-helix	trans	-63.4	-39.9	175.1	-105.1	-117.5	176.2	0	0	112	A25 I32 R33	A25-E29 PolarHBondContact O-N 3.11Å; E29-I32 PolarHBondContact O-N 3.21Å; E29-R33 WeakPolarHBondContact O-CB 3.33Å; E29-R33 WeakPolarHBondContact O-CG 3.27Å; E29-R33 PolarHBondContact O-N 3.26Å; E29-R33 IonicContact OE2-CZ 3.76Å; E29-R33 IonicContact OE2-NE 3.78Å; E29-R33 PolarHBondContact OE2-NE 3.04Å; E29-R33 IonicContact OE2-NH2 3.67Å; E29-R33 PolarHBondContact OE2-NH2 3.37Å
30	S	66	Low	54.9	Low	72 Å²	72	123.8 Å²	123.8	50%	0.503	66%	0.657	S	S	.	*	H	α-helix	trans	-64.9	-38.8	175.6	-61	0	0	0	0	112.6	D26 H28 S34	D26-S30 WeakPolarHBondContact O-CB 3.24Å; D26-S30 PolarHBondContact O-N 3.48Å; D26-S30 PolarHBondContact O-OG 3.12Å; H28-S30 VanDerWaalsContact C-N 3.35Å; H28-S30 PolarHBondContact O-N 3.21Å; S30-S34 WeakPolarHBondContact O-CB 3.35Å; S30-S34 PolarHBondContact O-N 2.79Å
31	F	65.7	Low	55.6	Low	127 Å²	127	127.9 Å²	127.9	56%	0.557	66%	0.663	S	S	*	*	H	α-helix	trans	-69.3	-41.7	176.2	-175.4	-112	0	0	0	112	R27 H28 S34 I35	R27-F31 WeakPolarHBondContact O-CB 3.47Å; R27-F31 PolarHBondContact O-N 3.01Å; H28-F31 PolarHBondContact O-N 3.45Å; F31-S34 CarbonylContact O-C 3.59Å; F31-S34 WeakPolarHBondContact O-CB 3.48Å; F31-S34 PolarHBondContact O-N 2.92Å; F31-S34 VanDerWaalsContact O-N 3.15Å; F31-I35 HydrophobicContact CD1-CD1 3.79Å; F31-I35 HydrophobicContact CE1-CD1 3.46Å; F31-I35 VanDerWaalsContact CE1-CD1 3.46Å; F31-I35 HydrophobicContact CE1-CG1 4.5Å; F31-I35 HydrophobicContact CG-CD1 4.46Å; F31-I35 HydrophobicContact CZ-CD1 3.88Å; F31-I35 WeakPolarHBondContact O-CG1 2.74Å; F31-I35 PolarHBondContact O-N 2.87Å
32	I	63.7	Low	56.3	Low	69 Å²	69	128 Å²	128	35%	0.354	64%	0.644	S	S	.	*	H	α-helix	trans	-63	-43.1	174.7	-66.7	-83.6	0	0	0	110.5	H28 E29 S34 I35 L36	H28-I32 WeakPolarHBondContact O-CB 3.49Å; H28-I32 WeakPolarHBondContact O-CG1 3.5Å; H28-I32 PolarHBondContact O-N 3.18Å; E29-I32 PolarHBondContact O-N 3.21Å; I32-S34 VanDerWaalsContact C-N 3.29Å; I32-S34 PolarHBondContact O-N 2.77Å; I32-I35 PolarHBondContact O-N 2.97Å; I32-I35 VanDerWaalsContact O-N 3.12Å; I32-L36 HydrophobicContact CG2-CD1 3.69Å; I32-L36 HydrophobicContact CG2-CG 4.3Å; I32-L36 WeakPolarHBondContact O-CB 3.39Å; I32-L36 VanDerWaalsContact O-CG 3.3Å; I32-L36 WeakPolarHBondContact O-CG 3.49Å; I32-L36 PolarHBondContact O-N 3.1Å
33	R	64.2	Low	57.4	Low	167 Å²	167	127.7 Å²	127.7	63%	0.63	64%	0.641	S	S	*	*	H	α-helix	trans	-63.5	-32.9	172.8	-77.8	-176.9	-167.8	178.4	10.4	113	E29 I35 S37	E29-R33 WeakPolarHBondContact O-CB 3.33Å; E29-R33 WeakPolarHBondContact O-CG 3.27Å; E29-R33 PolarHBondContact O-N 3.26Å; E29-R33 IonicContact OE2-CZ 3.76Å; E29-R33 IonicContact OE2-NE 3.78Å; E29-R33 PolarHBondContact OE2-NE 3.04Å; E29-R33 IonicContact OE2-NH2 3.67Å; E29-R33 PolarHBondContact OE2-NH2 3.37Å; R33-I35 VanDerWaalsContact C-N 3.34Å; R33-S37 WeakPolarHBondContact O-CB 3.46Å; R33-S37 PolarHBondContact O-N 3.45Å; R33-S37 PolarHBondContact O-OG 3.23Å
34	S	64.1	Low	58	Low	52 Å²	52	123 Å²	123	36%	0.364	62%	0.619	S	S	.	*	H	α-helix	trans	-70.2	-28	173.1	155.2	0	0	0	0	113.1	S30 F31 I32	S30-S34 WeakPolarHBondContact O-CB 3.35Å; S30-S34 PolarHBondContact O-N 2.79Å; F31-S34 CarbonylContact O-C 3.59Å; F31-S34 WeakPolarHBondContact O-CB 3.48Å; F31-S34 PolarHBondContact O-N 2.92Å; F31-S34 VanDerWaalsContact O-N 3.15Å; I32-S34 VanDerWaalsContact C-N 3.29Å; I32-S34 PolarHBondContact O-N 2.77Å
35	I	60.7	Low	58.3	Low	89 Å²	89	119.7 Å²	119.7	46%	0.456	61%	0.613	S	S	.	*	H	α-helix	trans	-79.6	-43.4	175.2	-70.3	169.2	0	0	0	110.1	F31 I32 R33 S37	F31-I35 HydrophobicContact CD1-CD1 3.79Å; F31-I35 HydrophobicContact CE1-CD1 3.46Å; F31-I35 VanDerWaalsContact CE1-CD1 3.46Å; F31-I35 HydrophobicContact CE1-CG1 4.5Å; F31-I35 HydrophobicContact CG-CD1 4.46Å; F31-I35 HydrophobicContact CZ-CD1 3.88Å; F31-I35 WeakPolarHBondContact O-CG1 2.74Å; F31-I35 PolarHBondContact O-N 2.87Å; I32-I35 PolarHBondContact O-N 2.97Å; I32-I35 VanDerWaalsContact O-N 3.12Å; R33-I35 VanDerWaalsContact C-N 3.34Å; I35-S37 VanDerWaalsContact C-N 3.34Å; I35-S37 PolarHBondContact O-N 2.71Å
36	L	56.8	Low	58.9	Low	141 Å²	141	124.3 Å²	124.3	74%	0.738	63%	0.629	S	S	*	*	H	α-helix	trans	-74	-20.6	-178.2	-65.9	172.3	0	0	0	113.8	I32	I32-L36 HydrophobicContact CG2-CD1 3.69Å; I32-L36 HydrophobicContact CG2-CG 4.3Å; I32-L36 WeakPolarHBondContact O-CB 3.39Å; I32-L36 VanDerWaalsContact O-CG 3.3Å; I32-L36 WeakPolarHBondContact O-CG 3.49Å; I32-L36 PolarHBondContact O-N 3.1Å
37	S	61.4	Low	58.7	Low	91 Å²	91	124.1 Å²	124.1	64%	0.636	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-3.9	178.1	58.6	0	0	0	0	114.6	R33 I35	R33-S37 WeakPolarHBondContact O-CB 3.46Å; R33-S37 PolarHBondContact O-N 3.45Å; R33-S37 PolarHBondContact O-OG 3.23Å; I35-S37 VanDerWaalsContact C-N 3.34Å; I35-S37 PolarHBondContact O-N 2.71Å
38	K	52.9	Low	58.5	Low	150 Å²	150	119.8 Å²	119.8	65%	0.652	62%	0.618	S	S	*	*	S	Bend	trans	-75.6	124.5	174	-76.2	178.2	-177.8	179.8	0	109.7	F40	K38-F40 PolarHBondContact O-N 2.69Å
39	P	56	Low	57.8	Low	120 Å²	120	115.8 Å²	115.8	78%	0.779	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-62	132.6	173.6	24	-30.4	0	0	0	109.5	K41	P39-K41 PolarHBondContact O-N 3.11Å
40	F	55.8	Low	57.1	Low	177 Å²	177	116.2 Å²	116.2	78%	0.776	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-53.7	123.5	-180	178.5	-97.7	0	0	0	110.8	K38 I42	K38-F40 PolarHBondContact O-N 2.69Å; F40-I42 HydrophobicContact CD1-CG1 4.39Å; F40-I42 HydrophobicContact CE1-CG1 3.82Å
41	K	58.3	Low	55.9	Low	195 Å²	195	121.4 Å²	121.4	85%	0.848	65%	0.647	S	S	*	*			trans	-114.1	124.1	174.8	-133.4	179.9	-175	-178	0	108.1	P39	P39-K41 PolarHBondContact O-N 3.11Å
42	I	51.7	Low	54.8	Low	81 Å²	81	118.7 Å²	118.7	42%	0.415	66%	0.655	S	S	.	*			trans	-64	127.5	-177.4	-61.1	163	0	0	0	108.9	F40 I44 Y47	F40-I42 HydrophobicContact CD1-CG1 4.39Å; F40-I42 HydrophobicContact CE1-CG1 3.82Å; I42-I44 HydrophobicContact CG2-CB 4.49Å; I42-I44 PolarHBondContact O-N 3Å; I42-Y47 HydrophobicContact CD1-CD1 4.25Å; I42-Y47 HydrophobicContact CG2-CD1 3.56Å; I42-Y47 HydrophobicContact CG2-CE1 4.39Å; I42-Y47 HydrophobicContact CG2-CG 3.99Å
43	P	54	Low	53.5	Low	116 Å²	116	121.3 Å²	121.3	75%	0.753	68%	0.68	S	S	*	*	S	Bend	trans	-76.4	11.5	-172.4	28.9	-34.4	0	0	0	114.9
44	I	60.4	Low	52.2	Low	92 Å²	92	124 Å²	124	47%	0.472	70%	0.696	S	S	.	*	S	Bend	trans	-118.5	116.9	-180	-57	168.8	0	0	0	107.8	I42 N46 Y47	I42-I44 HydrophobicContact CG2-CB 4.49Å; I42-I44 PolarHBondContact O-N 3Å; I44-N46 PolarHBondContact O-N 3.05Å; I44-Y47 HydrophobicContact CB-CG 4.38Å; I44-Y47 HydrophobicContact CD1-CD2 3.81Å; I44-Y47 HydrophobicContact CD1-CE2 4.35Å; I44-Y47 HydrophobicContact CD1-CG 4.18Å; I44-Y47 PolarHBondContact O-N 2.96Å
45	P	52.6	Low	50.8	Low	115 Å²	115	125.6 Å²	125.6	75%	0.747	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	123.5	171.1	-18.5	29.8	0	0	0	109.1
46	N	57.6	Low	49.9	Very low	163 Å²	163	130 Å²	130	87%	0.872	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	73	20.2	179.8	-49.4	-34.8	0	0	0	117.4	I44 T48	I44-N46 PolarHBondContact O-N 3.05Å; N46-T48 PolarHBondContact O-N 3.4Å
47	Y	53.9	Low	48.7	Very low	131 Å²	131	126.6 Å²	126.6	51%	0.514	74%	0.735	S	S	.	*			trans	-79.3	111.1	172.8	-179.7	-90.5	0	0	0	112.7	I42 I44	I42-Y47 HydrophobicContact CD1-CD1 4.25Å; I42-Y47 HydrophobicContact CG2-CD1 3.56Å; I42-Y47 HydrophobicContact CG2-CE1 4.39Å; I42-Y47 HydrophobicContact CG2-CG 3.99Å; I44-Y47 HydrophobicContact CB-CG 4.38Å; I44-Y47 HydrophobicContact CD1-CD2 3.81Å; I44-Y47 HydrophobicContact CD1-CE2 4.35Å; I44-Y47 HydrophobicContact CD1-CG 4.18Å; I44-Y47 PolarHBondContact O-N 2.96Å
48	T	50.7	Low	47.3	Very low	136 Å²	136	129.2 Å²	129.2	83%	0.834	74%	0.741	S	S	*	*			trans	-94.6	95.6	164.7	51.6	0	0	0	0	109.6	N46	N46-T48 PolarHBondContact O-N 3.4Å
49	G	42.3	Very low	46.6	Very low	44 Å²	44	132.5 Å²	132.5	45%	0.454	76%	0.755	S	S	.	*			trans	-72.3	130.5	174.2	0	0	0	0	0	112.3
50	S	50.8	Low	45.7	Very low	113 Å²	113	134 Å²	134	79%	0.79	75%	0.751	S	S	*	*			trans	-80	115.8	171.4	162.5	0	0	0	0	110.2
51	L	40.7	Very low	45.2	Very low	180 Å²	180	130.2 Å²	130.2	94%	0.942	75%	0.752	S	S	*	*			trans	147.7	108.6	156.8	-83	148.7	0	0	0	108
52	G	43	Very low	45.1	Very low	71 Å²	71	124 Å²	124	73%	0.732	74%	0.744	S	S	*	*			cis	168.2	102.8	4.5	0	0	0	0	0	107.3
53	S	35.3	Very low	45.9	Very low	124 Å²	124	125.4 Å²	125.4	87%	0.867	76%	0.756	S	S	*	*			trans	-149.6	71.2	160.8	-68.2	0	0	0	0	107.5	A55	S53-A55 PolarHBondContact O-N 3.32Å; S53-A55 VanDerWaalsContact O-N 3.1Å
54	K	38.2	Very low	47	Very low	223 Å²	223	122.2 Å²	122.2	97%	0.97	73%	0.729	S	S	*	*			trans	-67.9	103.9	163.9	-84.2	-173.8	175.8	-178.2	0	107.5
55	A	34.1	Very low	48.1	Very low	85 Å²	85	125.4 Å²	125.4	70%	0.702	74%	0.74	S	S	*	*			trans	-124.8	118.6	158.8	0	0	0	0	0	109.4	S53	S53-A55 PolarHBondContact O-N 3.32Å; S53-A55 VanDerWaalsContact O-N 3.1Å
56	L	40.5	Very low	49.7	Very low	183 Å²	183	120.9 Å²	120.9	96%	0.958	71%	0.711	S	S	*	*	S	Bend	trans	62.6	76	157.1	-60.8	167.4	0	0	0	117.5
57	G	32.9	Very low	51.2	Low	69 Å²	69	117.9 Å²	117.9	71%	0.711	69%	0.694	S	S	*	*	S	Bend	trans	-145.3	111.2	152.8	0	0	0	0	0	107.6
58	L	32.3	Very low	52.9	Low	146 Å²	146	113.4 Å²	113.4	76%	0.764	68%	0.678	S	S	*	*			trans	41.4	103.1	175.7	-62.7	163.8	0	0	0	115.1	H60	L58-H60 PolarHBondContact O-N 3.2Å
59	K	37.4	Very low	54.7	Low	218 Å²	218	111.5 Å²	111.5	95%	0.948	66%	0.662	S	S	*	*			trans	-53.6	88.3	143.9	-91	-179.5	173.3	175	0	106.6	A61	K59-A61 PolarHBondContact O-N 2.7Å; K59-A61 VanDerWaalsContact O-N 3.08Å
60	H	38	Very low	57	Low	152 Å²	152	110.2 Å²	110.2	70%	0.704	65%	0.646	S	S	*	*			trans	-58.9	113.9	149.8	-79.8	-65.5	0	0	0	104.5	L58 G62	L58-H60 PolarHBondContact O-N 3.2Å; H60-G62 PolarHBondContact O-N 3.16Å
61	A	43.6	Very low	58.9	Low	97 Å²	97	113 Å²	113	80%	0.802	64%	0.644	S	S	*	*			trans	-44.8	118.4	163.3	0	0	0	0	0	106.9	K59 V63	K59-A61 PolarHBondContact O-N 2.7Å; K59-A61 VanDerWaalsContact O-N 3.08Å; A61-V63 PolarHBondContact O-N 3.29Å
62	G	57.4	Low	61.2	Low	66 Å²	66	106.6 Å²	106.6	68%	0.68	62%	0.617	S	S	*	*			trans	-62.9	118.1	-152.4	0	0	0	0	0	112.6	H60 R64	H60-G62 PolarHBondContact O-N 3.16Å; G62-R64 PolarHBondContact O-N 3.4Å
63	V	67.9	Low	63.1	Low	110 Å²	110	111.8 Å²	111.8	67%	0.667	62%	0.623	S	S	*	*			trans	-50.4	128.4	169.5	179.1	0	0	0	0	109	A61 K65	A61-V63 PolarHBondContact O-N 3.29Å; V63-K65 WeakPolarHBondContact O-CG 3.5Å; V63-K65 PolarHBondContact O-N 2.85Å
64	R	77.8	Confident	65.5	Low	48 Å²	48	111.4 Å²	111.4	18%	0.181	61%	0.611	C	S	.	*			trans	-58.8	108.8	174.6	-164.9	179.1	-165	-164.4	17.5	109.8	G62 E95 K96 L97 V99 N164 A165	G62-R64 PolarHBondContact O-N 3.4Å; R64-E95 VanDerWaalsContact CD-O 3.32Å; R64-E95 WeakPolarHBondContact CD-O 3.48Å; R64-E95 PolarHBondContact NE-O 2.97Å; R64-E95 VanDerWaalsContact NH1-C 3.27Å; R64-E95 PolarHBondContact NH1-O 3.04Å; R64-K96 PolarHBondContact NH1-O 3.24Å; R64-L97 VanDerWaalsContact NH1-N 3.18Å; R64-L97 PolarHBondContact NH1-O 3.28Å; R64-V99 HydrophobicContact CG-CG1 3.89Å; R64-N164 PolarHBondContact NE-O 3.47Å; R64-N164 PolarHBondContact NH2-O 3.14Å; R64-N164 PolarHBondContact NH2-OD1 3.24Å; R64-N164 VanDerWaalsContact NH2-OD1 3.16Å; R64-A165 HydrophobicContact CG-CB 3.66Å
65	K	83.4	Confident	68	Low	160 Å²	160	102.4 Å²	102.4	70%	0.696	58%	0.578	S	S	*	*			trans	-143.2	163.5	-178.7	66.1	179.3	-178	173.8	0	110.8	V63	V63-K65 WeakPolarHBondContact O-CG 3.5Å; V63-K65 PolarHBondContact O-N 2.85Å
66	S	86.6	Confident	70.8	Confident	20 Å²	20	99.2 Å²	99.2	14%	0.14	55%	0.549	C	S	.	.			trans	-61	149.2	171.5	56	0	0	0	0	111	H68 H100	S66-H68 VanDerWaalsContact C-N 3.31Å; S66-H68 WeakPolarHBondContact CB-O 3.42Å; S66-H68 PolarHBondContact O-N 3.16Å; S66-H68 PolarHBondContact OG-O 2.7Å; S66-H100 VanDerWaalsContact CB-O 3.25Å; S66-H100 WeakPolarHBondContact CB-O 3.49Å
67	L	87.5	Confident	73.4	Confident	99 Å²	99	91.8 Å²	91.8	52%	0.518	51%	0.511	S	S	.	.	S	Bend	trans	-67.1	-35.9	-178.8	-178.1	62.4	0	0	0	112	R160 Q161	L67-R160 HydrophobicContact CD2-CB 3.82Å; L67-Q161 HydrophobicContact CB-CG 3.73Å; L67-Q161 HydrophobicContact CD2-CG 3.66Å; L67-Q161 HydrophobicContact CG-CG 4.36Å
68	H	90.6	Very high	76.3	Confident	37 Å²	37	88.8 Å²	88.8	17%	0.171	48%	0.479	C	S	.	.	S	Bend	trans	-121.3	159.7	175.6	-52.6	-69.1	0	0	0	110.2	S66 P70 V102 D104 P105 Q161	S66-H68 VanDerWaalsContact C-N 3.31Å; S66-H68 WeakPolarHBondContact CB-O 3.42Å; S66-H68 PolarHBondContact O-N 3.16Å; S66-H68 PolarHBondContact OG-O 2.7Å; H68-P70 WeakPolarHBondContact O-CD 3.33Å; H68-V102 HydrophobicContact CB-CB 4.13Å; H68-V102 HydrophobicContact CB-CG1 4.18Å; H68-V102 PolarHBondContact CD2-O 3.34Å; H68-D104 IonicContact CE1-OD2 3.71Å; H68-D104 IonicContact NE2-OD2 3.08Å; H68-P105 HydrophobicContact CB-CG 4.45Å; H68-Q161 PolarHBondContact CD2-NE2 2.76Å
69	D	89.1	Confident	79.2	Confident	96 Å²	96	83.6 Å²	83.6	51%	0.513	45%	0.449	S	S	.	.			trans	-72.8	118.1	-179.7	-174.4	-0.1	0	0	0	110.5	F71 A72	D69-F71 VanDerWaalsContact C-N 3.27Å; D69-F71 PolarHBondContact O-N 2.75Å; D69-F71 PolarHBondContact OD1-N 2.62Å; D69-A72 HydrophobicContact CB-CB 4.24Å
70	P	89.4	Confident	81.7	Confident	18 Å²	18	79.5 Å²	79.5	12%	0.117	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.2	178.5	30.1	-34.5	0	0	0	113.3	H68 V77 H100 V102	H68-P70 WeakPolarHBondContact O-CD 3.33Å; P70-V77 HydrophobicContact CB-CG2 4.06Å; P70-H100 HydrophobicContact CB-CB 4.06Å; P70-H100 HydrophobicContact CG-CB 4.23Å; P70-V102 HydrophobicContact CB-CG2 3.69Å
71	F	90.2	Very high	84.1	Confident	171 Å²	171	73.9 Å²	73.9	75%	0.75	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	4.1	-175.5	-52.2	-67.1	0	0	0	113.1	D69	D69-F71 VanDerWaalsContact C-N 3.27Å; D69-F71 PolarHBondContact O-N 2.75Å; D69-F71 PolarHBondContact OD1-N 2.62Å
72	A	88.9	Confident	86.1	Confident	45 Å²	45	73.2 Å²	73.2	37%	0.372	40%	0.398	S	S	.	.	S	Bend	trans	-65.6	148.3	174.2	0	0	0	0	0	110.8	D69 D74 A75	D69-A72 HydrophobicContact CB-CB 4.24Å; A72-D74 PolarHBondContact O-N 2.92Å; A72-A75 HydrophobicContact CB-CB 4.36Å; A72-A75 WeakPolarHBondContact O-CB 3.39Å; A72-A75 PolarHBondContact O-N 2.79Å
73	E	84.1	Confident	87.3	Confident	181 Å²	181	76.9 Å²	76.9	85%	0.846	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	134.6	174.2	-166.9	176.6	-173.3	0	0	110.5	A75	E73-A75 PolarHBondContact O-N 3.18Å
74	D	86.5	Confident	87.9	Confident	115 Å²	115	75.5 Å²	75.5	62%	0.615	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	14.9	-174.9	-66.3	-40.2	0	0	0	116.7	A72 L76 R116	A72-D74 PolarHBondContact O-N 2.92Å; D74-L76 PolarHBondContact O-N 3.48Å; D74-R116 PolarHBondContact O-NH1 3.26Å; D74-R116 PolarHBondContact O-NH2 3.39Å
75	A	89.9	Confident	88.2	Confident	34 Å²	34	75.9 Å²	75.9	28%	0.281	41%	0.406	S	S	.	.			trans	-58.1	128.5	175.5	0	0	0	0	0	111.4	A72 E73 V77 V102	A72-A75 HydrophobicContact CB-CB 4.36Å; A72-A75 WeakPolarHBondContact O-CB 3.39Å; A72-A75 PolarHBondContact O-N 2.79Å; E73-A75 PolarHBondContact O-N 3.18Å; A75-V77 HydrophobicContact CB-CG2 4.47Å; A75-V77 PolarHBondContact O-N 3.01Å; A75-V102 HydrophobicContact CB-CG1 4.25Å
76	L	93.8	Very high	87.9	Confident	19 Å²	19	72 Å²	72	10%	0.099	40%	0.403	C	S	.	.			trans	-93.9	95.8	173.2	174.5	60.1	0	0	0	109	D74 L78 V103 L111 R116	D74-L76 PolarHBondContact O-N 3.48Å; L76-L78 HydrophobicContact CD1-CD2 4.35Å; L76-L78 HydrophobicContact CD2-CD2 4.37Å; L76-L78 HydrophobicContact CG-CD2 4.01Å; L76-V103 HydrophobicContact CB-CB 4.07Å; L76-V103 HydrophobicContact CB-CG2 4.23Å; L76-V103 HydrophobicContact CD2-CB 4.14Å; L76-V103 HydrophobicContact CD2-CG2 3.68Å; L76-V103 HydrophobicContact CG-CB 4.2Å; L76-V103 HydrophobicContact CG-CG2 3.81Å; L76-V103 PolarHBondContact O-N 3.4Å; L76-L111 HydrophobicContact CD2-CD1 3.96Å; L76-R116 HydrophobicContact CD1-CB 4.17Å; L76-R116 HydrophobicContact CD2-CB 4.02Å; L76-R116 HydrophobicContact CD2-CG 4.08Å
77	V	93.9	Very high	87.5	Confident	26 Å²	26	76.1 Å²	76.1	16%	0.158	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	117.1	177.7	-171	0	0	0	0	109.4	P70 A75 Y79 E80 V102	P70-V77 HydrophobicContact CB-CG2 4.06Å; A75-V77 HydrophobicContact CB-CG2 4.47Å; A75-V77 PolarHBondContact O-N 3.01Å; V77-Y79 VanDerWaalsContact CG1-O 3.27Å; V77-Y79 WeakPolarHBondContact CG1-O 3.35Å; V77-E80 HydrophobicContact CG1-CG 3.61Å; V77-V102 HydrophobicContact CG2-CG2 4.34Å
78	L	93.4	Very high	87.1	Confident	7 Å²	7	75.1 Å²	75.1	4%	0.037	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-27.3	175.1	-53.4	-172.9	0	0	0	111.3	L76 V101 V103 V119 K120 W123 T157	L76-L78 HydrophobicContact CD1-CD2 4.35Å; L76-L78 HydrophobicContact CD2-CD2 4.37Å; L76-L78 HydrophobicContact CG-CD2 4.01Å; L78-V101 HydrophobicContact CB-CB 4.46Å; L78-V101 HydrophobicContact CB-CG1 4.25Å; L78-V101 HydrophobicContact CD1-CG1 4.34Å; L78-V101 PolarHBondContact N-O 3.1Å; L78-V103 HydrophobicContact CD1-CG2 3.8Å; L78-V103 HydrophobicContact CD2-CG2 3.74Å; L78-V103 HydrophobicContact CG-CG2 3.73Å; L78-V119 HydrophobicContact CD1-CG1 4.38Å; L78-V119 HydrophobicContact CD2-CG1 4.18Å; L78-K120 HydrophobicContact CD2-CB 4.34Å; L78-W123 HydrophobicContact CB-CD2 3.89Å; L78-W123 HydrophobicContact CB-CE3 3.82Å; L78-W123 HydrophobicContact CB-CG 4.3Å; L78-W123 HydrophobicContact CB-CZ3 4.14Å; L78-W123 HydrophobicContact CD1-CB 3.86Å; L78-W123 HydrophobicContact CD1-CD2 3.97Å; L78-W123 HydrophobicContact CD1-CG 3.54Å; L78-W123 VanDerWaalsContact O-CZ3 3.27Å; L78-W123 WeakPolarHBondContact O-CZ3 3.34Å; L78-T157 HydrophobicContact CD1-CG2 3.81Å
79	Y	93.8	Very high	86.4	Confident	37 Å²	37	77.6 Å²	77.6	15%	0.145	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	136	176.9	175.2	-117.2	0	0	0	113.2	V77 P81 P82 P98 V99 H100 V101 W123 L163	V77-Y79 VanDerWaalsContact CG1-O 3.27Å; V77-Y79 WeakPolarHBondContact CG1-O 3.35Å; Y79-P81 HydrophobicContact CE1-CG 4.33Å; Y79-P82 WeakPolarHBondContact OH-CD 3.19Å; Y79-P98 HydrophobicContact CE1-CB 3.85Å; Y79-V99 WeakPolarHBondContact CD1-O 3.23Å; Y79-H100 VanDerWaalsContact O-CA 3.28Å; Y79-H100 WeakPolarHBondContact O-CA 3.38Å; Y79-V101 HydrophobicContact CD1-CG2 4.4Å; Y79-V101 PolarHBondContact N-O 2.94Å; Y79-V101 PolarHBondContact O-N 3.23Å; Y79-V101 VanDerWaalsContact O-N 3.11Å; Y79-W123 HydrophobicContact CG-CH2 4.27Å; Y79-L163 HydrophobicContact CD1-CD2 4.43Å; Y79-L163 HydrophobicContact CD1-CG 3.85Å; Y79-L163 HydrophobicContact CE1-CB 4.25Å; Y79-L163 HydrophobicContact CE1-CD2 3.84Å; Y79-L163 HydrophobicContact CE1-CG 3.65Å
80	E	90.9	Very high	85.9	Confident	132 Å²	132	79.9 Å²	79.9	62%	0.617	44%	0.44	S	S	*	.			trans	-112.6	128.4	169.9	-66.8	171.1	-168.3	0	0	108.6	V77	V77-E80 HydrophobicContact CG1-CG 3.61Å
81	P	87.8	Confident	85.4	Confident	33 Å²	33	86.1 Å²	86.1	21%	0.214	47%	0.465	C	S	.	.			trans	-56.1	144.5	170.6	-23.5	34.8	0	0	0	111	Y79 P98 H100	Y79-P81 HydrophobicContact CE1-CG 4.33Å; P81-P98 HydrophobicContact CB-CB 4.36Å; P81-P98 WeakPolarHBondContact CG-O 3.34Å; P81-H100 WeakPolarHBondContact CD-CD2 3.24Å; P81-H100 VanDerWaalsContact CD-NE2 3.34Å; P81-H100 WeakPolarHBondContact CD-NE2 3.38Å
82	P	85.2	Confident	84.8	Confident	83 Å²	83	79.5 Å²	79.5	54%	0.539	44%	0.442	S	S	.	.			trans	-60.2	143	176.4	26.9	-34.5	0	0	0	110.4	Y79 L84	Y79-P82 WeakPolarHBondContact OH-CD 3.19Å; P82-L84 PolarHBondContact O-N 3.11Å; P82-L84 VanDerWaalsContact O-N 3.07Å
83	T	82.9	Confident	84.3	Confident	144 Å²	144	81.1 Å²	81.1	88%	0.883	45%	0.445	S	S	*	.			trans	-66.3	108.6	175	52	0	0	0	0	109.2
84	L	80.9	Confident	84	Confident	81 Å²	81	80 Å²	80	42%	0.424	44%	0.437	S	S	.	.			trans	-87.4	148.5	173.1	-66.4	173.3	0	0	0	110.1	P82 L89 L97	P82-L84 PolarHBondContact O-N 3.11Å; P82-L84 VanDerWaalsContact O-N 3.07Å; L84-L89 HydrophobicContact CD1-CD1 4.2Å; L84-L97 HydrophobicContact CD1-CD2 3.57Å
85	S	83	Confident	83.4	Confident	56 Å²	56	80.1 Å²	80.1	39%	0.392	43%	0.434	S	S	.	.			trans	-63	151.5	170.4	81.7	0	0	0	0	109.9	H87 D88 L89	S85-H87 PolarHBondContact O-N 2.88Å; S85-H87 VanDerWaalsContact O-N 3.16Å; S85-D88 PolarHBondContact O-N 2.72Å; S85-D88 WeakPolarHBondContact OG-CB 3.32Å; S85-D88 PolarHBondContact OG-N 3.43Å; S85-D88 VanDerWaalsContact OG-N 3.14Å; S85-D88 PolarHBondContact OG-OD2 2.97Å; S85-L89 PolarHBondContact O-N 3.04Å
86	A	78.1	Confident	83	Confident	77 Å²	77	86 Å²	86	64%	0.636	45%	0.453	S	S	*	.	H	α-helix	trans	-56.5	-34.5	179.5	0	0	0	0	0	112.1	I90	A86-I90 WeakPolarHBondContact O-CD1 3.48Å; A86-I90 VanDerWaalsContact O-CG1 3.24Å; A86-I90 WeakPolarHBondContact O-CG1 3.4Å; A86-I90 PolarHBondContact O-N 3.21Å
87	H	77.6	Confident	82.5	Confident	108 Å²	108	86.9 Å²	86.9	50%	0.5	46%	0.458	S	S	.	.	H	α-helix	trans	-69.5	-41.2	177	173.4	-94.4	0	0	0	112.5	S85 I90 K91	S85-H87 PolarHBondContact O-N 2.88Å; S85-H87 VanDerWaalsContact O-N 3.16Å; H87-I90 PolarHBondContact O-N 3.48Å; H87-K91 WeakPolarHBondContact CE1-CE 2.93Å; H87-K91 PolarHBondContact CE1-NZ 3.43Å; H87-K91 WeakPolarHBondContact NE2-CE 3.24Å; H87-K91 PolarHBondContact NE2-NZ 2.93Å; H87-K91 VanDerWaalsContact NE2-NZ 3.11Å; H87-K91 PolarHBondContact O-N 3.41Å
88	D	78.5	Confident	82.1	Confident	77 Å²	77	87.8 Å²	87.8	41%	0.412	46%	0.464	S	S	.	.	H	α-helix	trans	-72.4	-32.1	178.4	-58.5	-34.1	0	0	0	111.8	S85 I90 K91 A92	S85-D88 PolarHBondContact O-N 2.72Å; S85-D88 WeakPolarHBondContact OG-CB 3.32Å; S85-D88 PolarHBondContact OG-N 3.43Å; S85-D88 VanDerWaalsContact OG-N 3.14Å; S85-D88 PolarHBondContact OG-OD2 2.97Å; D88-I90 VanDerWaalsContact C-N 3.31Å; D88-I90 PolarHBondContact O-N 3.49Å; D88-K91 PolarHBondContact O-N 3.5Å; D88-A92 WeakPolarHBondContact O-CB 3.46Å; D88-A92 PolarHBondContact O-N 3.03Å
89	L	77.4	Confident	81.9	Confident	89 Å²	89	88 Å²	88	47%	0.466	47%	0.466	S	S	.	.	H	α-helix	trans	-65.7	-34.1	174.9	-165.4	75.1	0	0	0	112.4	L84 S85 L97	L84-L89 HydrophobicContact CD1-CD1 4.2Å; S85-L89 PolarHBondContact O-N 3.04Å; L89-L97 HydrophobicContact CD1-CD1 3.78Å
90	I	77.3	Confident	81.8	Confident	144 Å²	144	88.5 Å²	88.5	74%	0.738	47%	0.469	S	S	*	.	H	α-helix	trans	-72.5	-36.1	176.4	-67.2	163.9	0	0	0	110.9	A86 H87 D88	A86-I90 WeakPolarHBondContact O-CD1 3.48Å; A86-I90 VanDerWaalsContact O-CG1 3.24Å; A86-I90 WeakPolarHBondContact O-CG1 3.4Å; A86-I90 PolarHBondContact O-N 3.21Å; H87-I90 PolarHBondContact O-N 3.48Å; D88-I90 VanDerWaalsContact C-N 3.31Å; D88-I90 PolarHBondContact O-N 3.49Å
91	K	79.6	Confident	81.9	Confident	149 Å²	149	82.2 Å²	82.2	65%	0.648	44%	0.44	S	S	*	.	H	α-helix	trans	-79.7	-26.6	178.2	-70.8	-174.1	179.3	-176	0	113.6	H87 D88	H87-K91 WeakPolarHBondContact CE1-CE 2.93Å; H87-K91 PolarHBondContact CE1-NZ 3.43Å; H87-K91 WeakPolarHBondContact NE2-CE 3.24Å; H87-K91 PolarHBondContact NE2-NZ 2.93Å; H87-K91 VanDerWaalsContact NE2-NZ 3.11Å; H87-K91 PolarHBondContact O-N 3.41Å; D88-K91 PolarHBondContact O-N 3.5Å
92	A	76.8	Confident	82.1	Confident	32 Å²	32	80.7 Å²	80.7	26%	0.264	43%	0.43	S	S	.	.	S	Bend	trans	-71.8	141.5	-177.5	0	0	0	0	0	112.2	D88 K94 L97	D88-A92 WeakPolarHBondContact O-CB 3.46Å; D88-A92 PolarHBondContact O-N 3.03Å; A92-K94 PolarHBondContact O-N 2.93Å; A92-L97 HydrophobicContact CB-CD2 3.69Å; A92-L97 HydrophobicContact CB-CG 4.26Å
93	D	78.9	Confident	82.5	Confident	79 Å²	79	76.9 Å²	76.9	42%	0.422	41%	0.405	S	S	.	.			trans	-66.8	112.9	172.2	179.6	-0.5	0	0	0	109.8	E95 K96 L97	D93-E95 PolarHBondContact O-N 3.32Å; D93-E95 VanDerWaalsContact O-N 3.14Å; D93-E95 WeakPolarHBondContact OD1-CB 3.22Å; D93-E95 PolarHBondContact OD1-N 3.34Å; D93-K96 HydrophobicContact CB-CB 4.15Å; D93-K96 HydrophobicContact CB-CD 4.21Å; D93-K96 HydrophobicContact CB-CG 4.29Å; D93-K96 WeakPolarHBondContact O-CA 3.49Å; D93-K96 PolarHBondContact O-N 3.45Å; D93-K96 WeakPolarHBondContact OD2-CD 3.39Å; D93-K96 VanDerWaalsContact OD2-CE 3.3Å; D93-K96 WeakPolarHBondContact OD2-CE 3.43Å; D93-K96 WeakPolarHBondContact OD2-CG 3.32Å; D93-K96 IonicContact OD2-NZ 3.38Å; D93-L97 PolarHBondContact O-N 3.4Å
94	K	76.8	Confident	83	Confident	157 Å²	157	70.4 Å²	70.4	68%	0.683	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-27	-178.6	-66.8	-178.4	-179.2	177.8	0	112.5	A92 K96	A92-K94 PolarHBondContact O-N 2.93Å; K94-K96 VanDerWaalsContact C-N 3.29Å; K94-K96 PolarHBondContact O-N 3.11Å
95	E	75.8	Confident	83.5	Confident	119 Å²	119	69.2 Å²	69.2	56%	0.556	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.6	176.3	-64.5	-58.7	140.1	0	0	112.9	R64 D93	R64-E95 VanDerWaalsContact CD-O 3.32Å; R64-E95 WeakPolarHBondContact CD-O 3.48Å; R64-E95 PolarHBondContact NE-O 2.97Å; R64-E95 VanDerWaalsContact NH1-C 3.27Å; R64-E95 PolarHBondContact NH1-O 3.04Å; D93-E95 PolarHBondContact O-N 3.32Å; D93-E95 VanDerWaalsContact O-N 3.14Å; D93-E95 WeakPolarHBondContact OD1-CB 3.22Å; D93-E95 PolarHBondContact OD1-N 3.34Å
96	K	80.3	Confident	83.9	Confident	156 Å²	156	69.8 Å²	69.8	68%	0.678	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-5.7	178.6	-68.7	-179.8	-172.6	168.2	0	114.5	R64 D93 K94	R64-K96 PolarHBondContact NH1-O 3.24Å; D93-K96 HydrophobicContact CB-CB 4.15Å; D93-K96 HydrophobicContact CB-CD 4.21Å; D93-K96 HydrophobicContact CB-CG 4.29Å; D93-K96 WeakPolarHBondContact O-CA 3.49Å; D93-K96 PolarHBondContact O-N 3.45Å; D93-K96 WeakPolarHBondContact OD2-CD 3.39Å; D93-K96 VanDerWaalsContact OD2-CE 3.3Å; D93-K96 WeakPolarHBondContact OD2-CE 3.43Å; D93-K96 WeakPolarHBondContact OD2-CG 3.32Å; D93-K96 IonicContact OD2-NZ 3.38Å; K94-K96 VanDerWaalsContact C-N 3.29Å; K94-K96 PolarHBondContact O-N 3.11Å
97	L	83.6	Confident	84.5	Confident	38 Å²	38	66.1 Å²	66.1	20%	0.199	33%	0.333	C	S	.	.	S	Bend	trans	-65.7	130.6	173.9	-71.5	176.4	0	0	0	112.4	R64 L84 L89 A92 D93	R64-L97 VanDerWaalsContact NH1-N 3.18Å; R64-L97 PolarHBondContact NH1-O 3.28Å; L84-L97 HydrophobicContact CD1-CD2 3.57Å; L89-L97 HydrophobicContact CD1-CD1 3.78Å; A92-L97 HydrophobicContact CB-CD2 3.69Å; A92-L97 HydrophobicContact CB-CG 4.26Å; D93-L97 PolarHBondContact O-N 3.4Å
98	P	86.2	Confident	85.1	Confident	45 Å²	45	61.2 Å²	61.2	29%	0.292	31%	0.312	S	S	.	.			trans	-58	143.1	173.6	-22.8	32.9	0	0	0	111.9	Y79 P81 L163	Y79-P98 HydrophobicContact CE1-CB 3.85Å; P81-P98 HydrophobicContact CB-CB 4.36Å; P81-P98 WeakPolarHBondContact CG-O 3.34Å; P98-L163 CarbonylContact C-O 3.55Å; P98-L163 WeakPolarHBondContact CA-O 3.35Å; P98-L163 HydrophobicContact CB-CB 4.43Å
99	V	89.4	Confident	85.6	Confident	12 Å²	12	65.3 Å²	65.3	7%	0.073	33%	0.326	C	S	.	.			trans	-106.3	157.1	174	-62.1	0	0	0	0	111.5	R64 Y79 L163 A165	R64-V99 HydrophobicContact CG-CG1 3.89Å; Y79-V99 WeakPolarHBondContact CD1-O 3.23Å; V99-L163 WeakPolarHBondContact CG2-O 3.25Å; V99-L163 PolarHBondContact N-O 2.97Å; V99-A165 HydrophobicContact CG1-CB 4.25Å; V99-A165 HydrophobicContact CG2-CB 3.83Å
100	H	90.3	Very high	86.3	Confident	47 Å²	47	64.1 Å²	64.1	22%	0.218	32%	0.322	C	S	.	.			trans	-58.6	142.6	171.8	-62.4	87.6	0	0	0	111.1	S66 P70 Y79 P81 V102	S66-H100 VanDerWaalsContact CB-O 3.25Å; S66-H100 WeakPolarHBondContact CB-O 3.49Å; P70-H100 HydrophobicContact CB-CB 4.06Å; P70-H100 HydrophobicContact CG-CB 4.23Å; Y79-H100 VanDerWaalsContact O-CA 3.28Å; Y79-H100 WeakPolarHBondContact O-CA 3.38Å; P81-H100 WeakPolarHBondContact CD-CD2 3.24Å; P81-H100 VanDerWaalsContact CD-NE2 3.34Å; P81-H100 WeakPolarHBondContact CD-NE2 3.38Å; H100-V102 HydrophobicContact CB-CG2 4.02Å
101	V	92.9	Very high	87	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.5	168.7	-179.6	0	0	0	0	107.4	L78 Y79 W123 T157 Q161	L78-V101 HydrophobicContact CB-CB 4.46Å; L78-V101 HydrophobicContact CB-CG1 4.25Å; L78-V101 HydrophobicContact CD1-CG1 4.34Å; L78-V101 PolarHBondContact N-O 3.1Å; Y79-V101 HydrophobicContact CD1-CG2 4.4Å; Y79-V101 PolarHBondContact N-O 2.94Å; Y79-V101 PolarHBondContact O-N 3.23Å; Y79-V101 VanDerWaalsContact O-N 3.11Å; V101-W123 HydrophobicContact CB-CZ2 4.12Å; V101-W123 HydrophobicContact CG1-CZ2 4.06Å; V101-W123 HydrophobicContact CG2-CH2 4.48Å; V101-W123 HydrophobicContact CG2-CZ2 4Å; V101-T157 HydrophobicContact CG1-CG2 3.61Å; V101-Q161 HydrophobicContact CG1-CB 4.17Å
102	V	92.6	Very high	87.5	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.7	-172.3	-174.5	0	0	0	0	108.1	H68 P70 A75 V77 H100 D104 Q161	H68-V102 HydrophobicContact CB-CB 4.13Å; H68-V102 HydrophobicContact CB-CG1 4.18Å; H68-V102 PolarHBondContact CD2-O 3.34Å; P70-V102 HydrophobicContact CB-CG2 3.69Å; A75-V102 HydrophobicContact CB-CG1 4.25Å; V77-V102 HydrophobicContact CG2-CG2 4.34Å; H100-V102 HydrophobicContact CB-CG2 4.02Å; V102-D104 PolarHBondContact O-N 2.95Å; V102-Q161 VanDerWaalsContact N-OE1 3.14Å; V102-Q161 PolarHBondContact O-NE2 2.98Å; V102-Q161 PolarHBondContact O-OE1 3.48Å; V102-Q161 VanDerWaalsContact O-OE1 3.1Å
103	V	94.6	Very high	88.2	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.018	29%	0.286	C	S	.	.			trans	-61	140.5	177.2	174.2	0	0	0	0	110	L76 L78 L107 L111 V119 T153	L76-V103 HydrophobicContact CB-CB 4.07Å; L76-V103 HydrophobicContact CB-CG2 4.23Å; L76-V103 HydrophobicContact CD2-CB 4.14Å; L76-V103 HydrophobicContact CD2-CG2 3.68Å; L76-V103 HydrophobicContact CG-CB 4.2Å; L76-V103 HydrophobicContact CG-CG2 3.81Å; L76-V103 PolarHBondContact O-N 3.4Å; L78-V103 HydrophobicContact CD1-CG2 3.8Å; L78-V103 HydrophobicContact CD2-CG2 3.74Å; L78-V103 HydrophobicContact CG-CG2 3.73Å; V103-L107 HydrophobicContact CG1-CB 4.2Å; V103-L111 HydrophobicContact CG1-CD1 4.4Å; V103-V119 HydrophobicContact CG2-CG1 4.19Å; V103-T153 HydrophobicContact CB-CG2 4.48Å; V103-T153 HydrophobicContact CG1-CG2 3.41Å; V103-T153 VanDerWaalsContact CG1-CG2 3.41Å; V103-T153 HydrophobicContact CG2-CG2 4.22Å
104	D	92.8	Very high	88.8	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.043	27%	0.269	C	S	.	.			trans	-52.7	125.3	177.6	-170.7	-44.4	0	0	0	110.4	H68 V102 V106 L107 G108 W156 R195	H68-D104 IonicContact CE1-OD2 3.71Å; H68-D104 IonicContact NE2-OD2 3.08Å; V102-D104 PolarHBondContact O-N 2.95Å; D104-V106 PolarHBondContact O-N 3.1Å; D104-V106 WeakPolarHBondContact OD1-CB 3.4Å; D104-V106 PolarHBondContact OD1-N 3.49Å; D104-L107 PolarHBondContact O-N 3.05Å; D104-G108 PolarHBondContact O-N 2.91Å; D104-W156 PolarHBondContact OD2-NE1 2.98Å; D104-R195 IonicContact OD1-NH1 3.79Å; D104-R195 PolarHBondContact OD1-NH1 2.94Å; D104-R195 IonicContact OD2-NH1 2.69Å; D104-R195 PolarHBondContact OD2-NH1 3.42Å
105	P	90.9	Very high	89.6	Confident	56 Å²	56	47.7 Å²	47.7	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-54.5	-27.4	-177.4	-29.1	35.2	0	0	0	114.3	H68 L107 K109	H68-P105 HydrophobicContact CB-CG 4.45Å; P105-L107 VanDerWaalsContact C-N 3.32Å; P105-L107 PolarHBondContact O-N 2.94Å; P105-K109 WeakPolarHBondContact O-CB 3.32Å; P105-K109 WeakPolarHBondContact O-CG 3.49Å; P105-K109 PolarHBondContact O-N 3.43Å; P105-K109 VanDerWaalsContact O-N 3.14Å
106	V	90.8	Very high	90.5	Very high	67 Å²	67	44.6 Å²	44.6	41%	0.406	22%	0.224	S	C	.	.	H	α-helix	trans	-64.6	-38.1	176.2	172.5	0	0	0	0	112	D104	D104-V106 PolarHBondContact O-N 3.1Å; D104-V106 WeakPolarHBondContact OD1-CB 3.4Å; D104-V106 PolarHBondContact OD1-N 3.49Å
107	L	92.2	Very high	91.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-82.8	-45.8	175.8	-58.8	177.9	0	0	0	110.4	V103 D104 P105 K109 V110 L111 T153 W156 W191 L192	V103-L107 HydrophobicContact CG1-CB 4.2Å; D104-L107 PolarHBondContact O-N 3.05Å; P105-L107 VanDerWaalsContact C-N 3.32Å; P105-L107 PolarHBondContact O-N 2.94Å; L107-K109 PolarHBondContact O-N 3.13Å; L107-K109 VanDerWaalsContact O-N 3.16Å; L107-V110 PolarHBondContact O-N 3.11Å; L107-L111 WeakPolarHBondContact O-CG 3.21Å; L107-L111 PolarHBondContact O-N 3.45Å; L107-T153 HydrophobicContact CB-CG2 4.26Å; L107-T153 HydrophobicContact CD1-CG2 4.03Å; L107-W156 HydrophobicContact CD1-CB 4.12Å; L107-W156 HydrophobicContact CD1-CG 4.17Å; L107-W191 HydrophobicContact CD2-CB 3.95Å; L107-L192 HydrophobicContact CD1-CD2 3.89Å; L107-L192 HydrophobicContact CD2-CD2 3.98Å; L107-L192 HydrophobicContact CG-CD2 4.21Å
108	G	90	Very high	91.7	Very high	5 Å²	5	41.4 Å²	41.4	5%	0.052	21%	0.211	C	C	.	.	H	α-helix	trans	-52.7	-39.3	-177.4	0	0	0	0	0	113.7	D104 V110 R116	D104-G108 PolarHBondContact O-N 2.91Å; G108-V110 VanDerWaalsContact C-N 3.3Å; G108-V110 PolarHBondContact O-N 3.21Å; G108-R116 PolarHBondContact O-NH2 3.37Å
109	K	89.1	Confident	92.2	Very high	163 Å²	163	39.3 Å²	39.3	71%	0.709	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.5	178.6	-73.8	176.6	-178.9	-165.1	0	114.4	P105 L107	P105-K109 WeakPolarHBondContact O-CB 3.32Å; P105-K109 WeakPolarHBondContact O-CG 3.49Å; P105-K109 PolarHBondContact O-N 3.43Å; P105-K109 VanDerWaalsContact O-N 3.14Å; L107-K109 PolarHBondContact O-N 3.13Å; L107-K109 VanDerWaalsContact O-N 3.16Å
110	V	90.5	Very high	92.6	Very high	64 Å²	64	43.6 Å²	43.6	39%	0.388	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-21.3	-177.4	-172.3	0	0	0	0	112.2	L107 G108 R112 W191	L107-V110 PolarHBondContact O-N 3.11Å; G108-V110 VanDerWaalsContact C-N 3.3Å; G108-V110 PolarHBondContact O-N 3.21Å; V110-R112 PolarHBondContact O-N 2.91Å; V110-W191 HydrophobicContact CB-CZ3 4.17Å; V110-W191 HydrophobicContact CG1-CH2 3.72Å; V110-W191 HydrophobicContact CG1-CZ3 3.55Å; V110-W191 HydrophobicContact CG2-CZ3 4.25Å
111	L	91.9	Very high	92.8	Very high	8 Å²	8	42 Å²	42	4%	0.042	21%	0.207	C	C	.	.			trans	-66.4	124.6	-179.7	-66.6	168.7	0	0	0	111.7	L76 V103 L107 Q115 R116 V119 L149 T153	L76-L111 HydrophobicContact CD2-CD1 3.96Å; V103-L111 HydrophobicContact CG1-CD1 4.4Å; L107-L111 WeakPolarHBondContact O-CG 3.21Å; L107-L111 PolarHBondContact O-N 3.45Å; L111-Q115 HydrophobicContact CB-CB 4.21Å; L111-Q115 HydrophobicContact CD2-CB 3.75Å; L111-R116 HydrophobicContact CB-CG 3.75Å; L111-R116 PolarHBondContact O-NE 3.01Å; L111-V119 HydrophobicContact CD1-CG2 4.28Å; L111-V119 HydrophobicContact CD2-CG2 4.46Å; L111-L149 HydrophobicContact CD2-CD1 4.49Å; L111-L149 HydrophobicContact CD2-CD2 3.91Å; L111-L149 HydrophobicContact CD2-CG 3.79Å; L111-T153 HydrophobicContact CD1-CG2 3.97Å
112	R	90.8	Very high	93	Very high	103 Å²	103	42 Å²	42	39%	0.389	21%	0.207	S	C	.	.			trans	-68.7	161.5	169.2	-58.4	-60.7	-173.9	176.3	2.4	111.1	V110 H114 Q115 R116	V110-R112 PolarHBondContact O-N 2.91Å; R112-H114 PolarHBondContact O-N 3.24Å; R112-Q115 HydrophobicContact CB-CG 4.2Å; R112-Q115 CarbonylContact O-C 3.53Å; R112-Q115 WeakPolarHBondContact O-CA 3.2Å; R112-Q115 WeakPolarHBondContact O-CB 3.07Å; R112-Q115 PolarHBondContact O-N 3.45Å; R112-R116 WeakPolarHBondContact O-CG 3.4Å; R112-R116 PolarHBondContact O-N 3.06Å
113	P	92.1	Very high	93.2	Very high	70 Å²	70	42 Å²	42	46%	0.455	21%	0.207	S	C	.	.	H	α-helix	trans	-52	-48.5	-176.7	-30.2	37.5	0	0	0	114.1	Q115 R116 E117	P113-Q115 VanDerWaalsContact C-N 3.29Å; P113-Q115 PolarHBondContact O-N 3.04Å; P113-R116 WeakPolarHBondContact O-CB 3.49Å; P113-R116 PolarHBondContact O-N 3.05Å; P113-R116 VanDerWaalsContact O-N 3.15Å; P113-E117 PolarHBondContact O-N 3.4Å; P113-E117 VanDerWaalsContact O-N 3.11Å
114	H	91.6	Very high	93.2	Very high	16 Å²	16	43.4 Å²	43.4	7%	0.074	21%	0.214	C	C	.	.	H	α-helix	trans	-62.3	-38.1	176.5	72	-76.4	0	0	0	111.5	R112 R116 E117 G118 L145 R353 I357	R112-H114 PolarHBondContact O-N 3.24Å; H114-R116 VanDerWaalsContact C-N 3.32Å; H114-R116 PolarHBondContact O-N 3.11Å; H114-E117 PolarHBondContact O-N 2.99Å; H114-G118 PolarHBondContact O-N 2.88Å; H114-L145 PolarHBondContact NE2-O 3.18Å; H114-R353 PolarHBondContact O-NH1 3.23Å; H114-I357 HydrophobicContact CB-CD1 3.7Å; H114-I357 VanDerWaalsContact CG-CD1 3.5Å
115	Q	94.1	Very high	93.3	Very high	18 Å²	18	43.2 Å²	43.2	8%	0.084	21%	0.213	C	C	.	.	H	α-helix	trans	-66.5	-35.7	178.1	-59.2	173.8	-30.4	0	0	111.7	L111 R112 P113 G118 V119 L145 Q150	L111-Q115 HydrophobicContact CB-CB 4.21Å; L111-Q115 HydrophobicContact CD2-CB 3.75Å; R112-Q115 HydrophobicContact CB-CG 4.2Å; R112-Q115 CarbonylContact O-C 3.53Å; R112-Q115 WeakPolarHBondContact O-CA 3.2Å; R112-Q115 WeakPolarHBondContact O-CB 3.07Å; R112-Q115 PolarHBondContact O-N 3.45Å; P113-Q115 VanDerWaalsContact C-N 3.29Å; P113-Q115 PolarHBondContact O-N 3.04Å; Q115-G118 PolarHBondContact O-N 2.96Å; Q115-V119 VanDerWaalsContact O-CG2 3.31Å; Q115-V119 WeakPolarHBondContact O-CG2 3.26Å; Q115-V119 PolarHBondContact O-N 3.44Å; Q115-L145 PolarHBondContact NE2-O 3.29Å; Q115-L145 VanDerWaalsContact NE2-O 3.15Å; Q115-Q150 HydrophobicContact CB-CG 3.92Å; Q115-Q150 HydrophobicContact CG-CG 4.16Å
116	R	94.8	Very high	93.5	Very high	55 Å²	55	40.5 Å²	40.5	21%	0.208	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-48	174.4	-64.8	-177.3	167.1	-133.7	-6.3	111.3	D74 L76 G108 L111 R112 P113 H114 G118 V119 K120	D74-R116 PolarHBondContact O-NH1 3.26Å; D74-R116 PolarHBondContact O-NH2 3.39Å; L76-R116 HydrophobicContact CD1-CB 4.17Å; L76-R116 HydrophobicContact CD2-CB 4.02Å; L76-R116 HydrophobicContact CD2-CG 4.08Å; G108-R116 PolarHBondContact O-NH2 3.37Å; L111-R116 HydrophobicContact CB-CG 3.75Å; L111-R116 PolarHBondContact O-NE 3.01Å; R112-R116 WeakPolarHBondContact O-CG 3.4Å; R112-R116 PolarHBondContact O-N 3.06Å; P113-R116 WeakPolarHBondContact O-CB 3.49Å; P113-R116 PolarHBondContact O-N 3.05Å; P113-R116 VanDerWaalsContact O-N 3.15Å; H114-R116 VanDerWaalsContact C-N 3.32Å; H114-R116 PolarHBondContact O-N 3.11Å; R116-G118 VanDerWaalsContact C-N 3.3Å; R116-G118 PolarHBondContact O-N 2.75Å; R116-V119 PolarHBondContact O-N 3.06Å; R116-K120 PolarHBondContact O-N 2.71Å
117	E	93.8	Very high	93.6	Very high	127 Å²	127	38.3 Å²	38.3	59%	0.593	18%	0.183	S	C	*	.	H	α-helix	trans	-60.5	-40.4	174.5	-69.4	175.9	176	0	0	112	P113 H114 K120 F121	P113-E117 PolarHBondContact O-N 3.4Å; P113-E117 VanDerWaalsContact O-N 3.11Å; H114-E117 PolarHBondContact O-N 2.99Å; E117-K120 PolarHBondContact O-N 3.36Å; E117-F121 WeakPolarHBondContact O-CB 3.49Å; E117-F121 PolarHBondContact O-N 3.26Å
118	G	95.1	Very high	93.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.4	-40.3	-179.9	0	0	0	0	0	112.9	H114 Q115 R116 F121 L122	H114-G118 PolarHBondContact O-N 2.88Å; Q115-G118 PolarHBondContact O-N 2.96Å; R116-G118 VanDerWaalsContact C-N 3.3Å; R116-G118 PolarHBondContact O-N 2.75Å; G118-F121 PolarHBondContact O-N 3.1Å; G118-L122 WeakPolarHBondContact O-CB 3.25Å; G118-L122 WeakPolarHBondContact O-CD1 3.18Å; G118-L122 WeakPolarHBondContact O-CG 3.47Å; G118-L122 PolarHBondContact O-N 3.3Å
119	V	96.8	Very high	93.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-42	173.2	172.6	0	0	0	0	111	L78 V103 L111 Q115 R116 L122 W123 Q150 T153	L78-V119 HydrophobicContact CD1-CG1 4.38Å; L78-V119 HydrophobicContact CD2-CG1 4.18Å; V103-V119 HydrophobicContact CG2-CG1 4.19Å; L111-V119 HydrophobicContact CD1-CG2 4.28Å; L111-V119 HydrophobicContact CD2-CG2 4.46Å; Q115-V119 VanDerWaalsContact O-CG2 3.31Å; Q115-V119 WeakPolarHBondContact O-CG2 3.26Å; Q115-V119 PolarHBondContact O-N 3.44Å; R116-V119 PolarHBondContact O-N 3.06Å; V119-L122 PolarHBondContact O-N 3.29Å; V119-W123 VanDerWaalsContact O-CB 3.29Å; V119-W123 WeakPolarHBondContact O-CB 3.21Å; V119-W123 PolarHBondContact O-N 2.76Å; V119-Q150 HydrophobicContact CG2-CB 4.01Å; V119-Q150 HydrophobicContact CG2-CG 4.29Å; V119-T153 HydrophobicContact CG1-CG2 3.81Å; V119-T153 HydrophobicContact CG2-CG2 3.98Å
120	K	96.1	Very high	93.6	Very high	102 Å²	102	39.6 Å²	39.6	44%	0.443	19%	0.185	S	C	.	.	H	α-helix	trans	-60.8	-49.3	175.1	-174.7	173.6	-178.6	174.3	0	111.4	L78 R116 E117 L122 W123 D124	L78-K120 HydrophobicContact CD2-CB 4.34Å; R116-K120 PolarHBondContact O-N 2.71Å; E117-K120 PolarHBondContact O-N 3.36Å; K120-L122 PolarHBondContact O-N 2.82Å; K120-W123 PolarHBondContact O-N 2.99Å; K120-D124 PolarHBondContact O-N 3.13Å
121	F	95.8	Very high	93.5	Very high	15 Å²	15	37.5 Å²	37.5	7%	0.066	17%	0.172	C	C	.	.	H	α-helix	trans	-55.5	-51.1	175.7	-175.4	-77.9	0	0	0	112	E117 G118 W123 D124 C125 R130 C137 L350 I351	E117-F121 WeakPolarHBondContact O-CB 3.49Å; E117-F121 PolarHBondContact O-N 3.26Å; G118-F121 PolarHBondContact O-N 3.1Å; F121-W123 VanDerWaalsContact C-N 3.29Å; F121-W123 PolarHBondContact O-N 3.46Å; F121-D124 PolarHBondContact O-N 3.15Å; F121-C125 VanDerWaalsContact CE1-SG 3.53Å; F121-C125 PolarHBondContact O-N 3.23Å; F121-C125 PolarHBondContact O-SG 2.99Å; F121-C125 VanDerWaalsContact O-SG 3.37Å; F121-R130 VanDerWaalsContact CE2-NH1 3.32Å; F121-C137 WeakPolarHBondContact CE1-SG 3.33Å; F121-L350 VanDerWaalsContact CZ-C 3.43Å; F121-L350 WeakPolarHBondContact CZ-O 3.44Å; F121-I351 HydrophobicContact CB-CD1 3.91Å; F121-I351 HydrophobicContact CD1-CB 3.78Å; F121-I351 HydrophobicContact CD1-CD1 4.37Å; F121-I351 HydrophobicContact CD1-CG2 3.72Å; F121-I351 HydrophobicContact CD2-CB 4.04Å; F121-I351 HydrophobicContact CD2-CD1 3.94Å; F121-I351 HydrophobicContact CD2-CG1 4.37Å; F121-I351 HydrophobicContact CE1-CB 3.68Å; F121-I351 HydrophobicContact CE1-CG2 3.82Å; F121-I351 HydrophobicContact CE2-CB 3.9Å; F121-I351 HydrophobicContact CG-CB 4Å; F121-I351 HydrophobicContact CG-CD1 3.84Å; F121-I351 HydrophobicContact CG-CG1 4.46Å; F121-I351 HydrophobicContact CG-CG2 4.28Å; F121-I351 HydrophobicContact CZ-CB 3.78Å; F121-I351 HydrophobicContact CZ-CG2 4.43Å
122	L	96.1	Very high	93.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.8	-45.9	178.7	-78.5	166.4	0	0	0	111	G118 V119 K120 C125 V126 C137 M139 Q150 L154 V279	G118-L122 WeakPolarHBondContact O-CB 3.25Å; G118-L122 WeakPolarHBondContact O-CD1 3.18Å; G118-L122 WeakPolarHBondContact O-CG 3.47Å; G118-L122 PolarHBondContact O-N 3.3Å; V119-L122 PolarHBondContact O-N 3.29Å; K120-L122 PolarHBondContact O-N 2.82Å; L122-C125 PolarHBondContact O-N 2.81Å; L122-V126 WeakPolarHBondContact O-CG1 3.36Å; L122-V126 VanDerWaalsContact O-CG2 3.31Å; L122-V126 WeakPolarHBondContact O-CG2 3.41Å; L122-V126 PolarHBondContact O-N 3.47Å; L122-C137 HydrophobicContact CD2-CB 4.18Å; L122-M139 HydrophobicContact CD1-SD 4.1Å; L122-M139 HydrophobicContact CD2-CB 4.5Å; L122-Q150 HydrophobicContact CD1-CB 4.07Å; L122-L154 HydrophobicContact CB-CD1 4Å; L122-L154 HydrophobicContact CB-CD2 3.95Å; L122-L154 HydrophobicContact CB-CG 4.43Å; L122-L154 HydrophobicContact CD2-CD2 4.39Å; L122-V279 HydrophobicContact CD2-CG1 3.69Å; L122-V279 HydrophobicContact CD2-CG2 4.31Å
123	W	96.4	Very high	93	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-68.3	-40.7	-177.9	-171.2	88.8	0	0	0	112.5	L78 Y79 V101 V119 K120 F121 C125 V126 T127 R129 L154 L163	L78-W123 HydrophobicContact CB-CD2 3.89Å; L78-W123 HydrophobicContact CB-CE3 3.82Å; L78-W123 HydrophobicContact CB-CG 4.3Å; L78-W123 HydrophobicContact CB-CZ3 4.14Å; L78-W123 HydrophobicContact CD1-CB 3.86Å; L78-W123 HydrophobicContact CD1-CD2 3.97Å; L78-W123 HydrophobicContact CD1-CG 3.54Å; L78-W123 VanDerWaalsContact O-CZ3 3.27Å; L78-W123 WeakPolarHBondContact O-CZ3 3.34Å; Y79-W123 HydrophobicContact CG-CH2 4.27Å; V101-W123 HydrophobicContact CB-CZ2 4.12Å; V101-W123 HydrophobicContact CG1-CZ2 4.06Å; V101-W123 HydrophobicContact CG2-CH2 4.48Å; V101-W123 HydrophobicContact CG2-CZ2 4Å; V119-W123 VanDerWaalsContact O-CB 3.29Å; V119-W123 WeakPolarHBondContact O-CB 3.21Å; V119-W123 PolarHBondContact O-N 2.76Å; K120-W123 PolarHBondContact O-N 2.99Å; F121-W123 VanDerWaalsContact C-N 3.29Å; F121-W123 PolarHBondContact O-N 3.46Å; W123-C125 VanDerWaalsContact C-N 3.33Å; W123-C125 PolarHBondContact O-N 3.29Å; W123-V126 PolarHBondContact O-N 3.07Å; W123-T127 HydrophobicContact CD2-CG2 4.06Å; W123-T127 HydrophobicContact CG-CG2 4.48Å; W123-T127 HydrophobicContact CH2-CG2 4.47Å; W123-T127 HydrophobicContact CZ2-CG2 3.9Å; W123-T127 WeakPolarHBondContact O-CB 3.4Å; W123-T127 WeakPolarHBondContact O-CG2 3.48Å; W123-T127 PolarHBondContact O-N 3.18Å; W123-T127 VanDerWaalsContact O-N 3.08Å; W123-T127 PolarHBondContact O-OG1 3.47Å; W123-R129 VanDerWaalsContact CZ3-CZ 3.42Å; W123-L154 HydrophobicContact CB-CD1 3.8Å; W123-L154 HydrophobicContact CG-CD1 4.34Å; W123-L163 HydrophobicContact CH2-CD1 4.4Å; W123-L163 HydrophobicContact CZ2-CD1 4.33Å
124	D	95.2	Very high	92.9	Very high	32 Å²	32	37.8 Å²	37.8	17%	0.171	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-37.6	175.3	-71.3	-29.9	0	0	0	112.5	K120 F121 G128 R129 R130	K120-D124 PolarHBondContact O-N 3.13Å; F121-D124 PolarHBondContact O-N 3.15Å; D124-G128 PolarHBondContact O-N 3.29Å; D124-R129 PolarHBondContact O-N 3.1Å; D124-R130 HydrophobicContact CB-CB 4.38Å; D124-R130 PolarHBondContact O-N 3Å
125	C	94.6	Very high	93	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.02	21%	0.21	C	C	.	.	H	α-helix	trans	-67.7	-53.1	175.1	-72.4	0	0	0	0	111.8	F121 L122 W123 T127 G128 Y135 C137	F121-C125 VanDerWaalsContact CE1-SG 3.53Å; F121-C125 PolarHBondContact O-N 3.23Å; F121-C125 PolarHBondContact O-SG 2.99Å; F121-C125 VanDerWaalsContact O-SG 3.37Å; L122-C125 PolarHBondContact O-N 2.81Å; W123-C125 VanDerWaalsContact C-N 3.33Å; W123-C125 PolarHBondContact O-N 3.29Å; C125-T127 PolarHBondContact O-N 3.27Å; C125-G128 PolarHBondContact O-N 3.08Å; C125-G128 VanDerWaalsContact O-N 3.09Å; C125-Y135 WeakPolarHBondContact O-CA 3.36Å; C125-C137 HydrophobicContact CB-CB 3.63Å
126	V	95.1	Very high	92.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-75	-8.2	-174.4	-56.7	0	0	0	0	113.9	L122 W123 Y135 L154 L158 L250 R277 V279	L122-V126 WeakPolarHBondContact O-CG1 3.36Å; L122-V126 VanDerWaalsContact O-CG2 3.31Å; L122-V126 WeakPolarHBondContact O-CG2 3.41Å; L122-V126 PolarHBondContact O-N 3.47Å; W123-V126 PolarHBondContact O-N 3.07Å; V126-Y135 WeakPolarHBondContact O-CD1 2.95Å; V126-L154 HydrophobicContact CG1-CD2 4.4Å; V126-L154 HydrophobicContact CG2-CD1 3.95Å; V126-L154 HydrophobicContact CG2-CD2 4.45Å; V126-L158 HydrophobicContact CG2-CD1 3.97Å; V126-L158 HydrophobicContact CG2-CD2 4.41Å; V126-L250 HydrophobicContact CG1-CD1 4.48Å; V126-R277 HydrophobicContact CB-CB 4.13Å; V126-R277 HydrophobicContact CB-CG 4.21Å; V126-R277 HydrophobicContact CG1-CB 4.49Å; V126-R277 WeakPolarHBondContact O-CD 3.15Å; V126-R277 VanDerWaalsContact O-CG 3.26Å; V126-R277 WeakPolarHBondContact O-CG 3.21Å; V126-R277 PolarHBondContact O-NE 3.25Å; V126-R277 VanDerWaalsContact O-NE 3.11Å; V126-V279 HydrophobicContact CG1-CG2 3.53Å
127	T	93.4	Very high	92.9	Very high	21 Å²	21	37 Å²	37	13%	0.129	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	3.2	171.3	58.7	0	0	0	0	113.1	W123 C125 R129 L158	W123-T127 HydrophobicContact CD2-CG2 4.06Å; W123-T127 HydrophobicContact CG-CG2 4.48Å; W123-T127 HydrophobicContact CH2-CG2 4.47Å; W123-T127 HydrophobicContact CZ2-CG2 3.9Å; W123-T127 WeakPolarHBondContact O-CB 3.4Å; W123-T127 WeakPolarHBondContact O-CG2 3.48Å; W123-T127 PolarHBondContact O-N 3.18Å; W123-T127 VanDerWaalsContact O-N 3.08Å; W123-T127 PolarHBondContact O-OG1 3.47Å; C125-T127 PolarHBondContact O-N 3.27Å; T127-R129 VanDerWaalsContact C-N 3.3Å; T127-R129 PolarHBondContact O-N 2.89Å; T127-R129 WeakPolarHBondContact OG1-CD 3.5Å; T127-L158 HydrophobicContact CG2-CD2 4.47Å
128	G	91.6	Very high	92.8	Very high	13 Å²	13	31 Å²	31	13%	0.134	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	22.2	176.5	0	0	0	0	0	114.9	D124 C125 I131 P132 S134	D124-G128 PolarHBondContact O-N 3.29Å; C125-G128 PolarHBondContact O-N 3.08Å; C125-G128 VanDerWaalsContact O-N 3.09Å; G128-I131 CarbonylContact O-C 3.59Å; G128-P132 WeakPolarHBondContact O-CA 3.47Å; G128-S134 WeakPolarHBondContact CA-O 3.31Å
129	R	89.9	Confident	92.6	Very high	86 Å²	86	31 Å²	31	33%	0.325	17%	0.169	S	C	.	.	S	Bend	trans	-85.3	-33	179.1	-66.2	176.6	171.9	-159	-2.4	112.4	W123 D124 T127 L163	W123-R129 VanDerWaalsContact CZ3-CZ 3.42Å; D124-R129 PolarHBondContact O-N 3.1Å; T127-R129 VanDerWaalsContact C-N 3.3Å; T127-R129 PolarHBondContact O-N 2.89Å; T127-R129 WeakPolarHBondContact OG1-CD 3.5Å; R129-L163 VanDerWaalsContact NH2-CD1 3.34Å; R129-L163 VanDerWaalsContact NH2-CD2 3.26Å; R129-L163 VanDerWaalsContact NH2-CG 3.34Å
130	R	89.8	Confident	92.2	Very high	96 Å²	96	31.2 Å²	31.2	36%	0.362	17%	0.17	S	C	.	.	S	Bend	trans	-78.9	-39.7	178.5	-160	163.8	177.8	121.8	2.9	112.2	F121 D124 R348	F121-R130 VanDerWaalsContact CE2-NH1 3.32Å; D124-R130 HydrophobicContact CB-CB 4.38Å; D124-R130 PolarHBondContact O-N 3Å; R130-R348 WeakPolarHBondContact CD-O 3.36Å; R130-R348 VanDerWaalsContact CG-O 3.31Å; R130-R348 WeakPolarHBondContact CG-O 3.47Å; R130-R348 PolarHBondContact NE-O 2.88Å; R130-R348 PolarHBondContact O-NH2 3.43Å
131	I	88.3	Confident	91.8	Very high	20 Å²	20	26.3 Å²	26.3	10%	0.103	15%	0.149	C	C	.	.	S	Bend	trans	-131.5	105.6	173.8	-50.6	-177.2	0	0	0	107.9	G128 G133 S134 I304 R348 C349	G128-I131 CarbonylContact O-C 3.59Å; I131-G133 PolarHBondContact O-N 3.12Å; I131-S134 PolarHBondContact O-N 3.39Å; I131-S134 VanDerWaalsContact O-N 3.1Å; I131-S134 VanDerWaalsContact O-O 3.07Å; I131-I304 HydrophobicContact CD1-CD1 3.7Å; I131-I304 HydrophobicContact CG2-CD1 3.99Å; I131-R348 HydrophobicContact CD1-CB 3.79Å; I131-R348 HydrophobicContact CG1-CB 4.05Å; I131-C349 HydrophobicContact CD1-CB 3.91Å
132	P	87.9	Confident	91.1	Very high	105 Å²	105	27.5 Å²	27.5	68%	0.682	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	132.7	178.5	-26.5	35.3	0	0	0	111.8	G128 S134	G128-P132 WeakPolarHBondContact O-CA 3.47Å; P132-S134 PolarHBondContact O-N 2.88Å
133	G	85.6	Confident	90.3	Very high	69 Å²	69	28.4 Å²	28.4	71%	0.711	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	-2.8	-179.3	0	0	0	0	0	115.2	I131	I131-G133 PolarHBondContact O-N 3.12Å
134	S	89.8	Confident	89.3	Confident	13 Å²	13	29.5 Å²	29.5	9%	0.091	17%	0.171	C	C	.	.			trans	-118.4	141.6	178	140.5	0	0	0	0	109.8	G128 I131 P132 N301	G128-S134 WeakPolarHBondContact CA-O 3.31Å; I131-S134 PolarHBondContact O-N 3.39Å; I131-S134 VanDerWaalsContact O-N 3.1Å; I131-S134 VanDerWaalsContact O-O 3.07Å; P132-S134 PolarHBondContact O-N 2.88Å; S134-N301 WeakPolarHBondContact CB-OD1 3.33Å; S134-N301 PolarHBondContact OG-ND2 3.33Å; S134-N301 PolarHBondContact OG-OD1 3.28Å
135	Y	93	Very high	88.8	Confident	73 Å²	73	28 Å²	28	29%	0.286	16%	0.163	S	C	.	.			trans	-130.8	24.6	-170.7	-60.6	-79.8	0	0	0	112.5	C125 V126 Q276 R277 R278 N301	C125-Y135 WeakPolarHBondContact O-CA 3.36Å; V126-Y135 WeakPolarHBondContact O-CD1 2.95Å; Y135-Q276 WeakPolarHBondContact CB-O 3.3Å; Y135-Q276 HydrophobicContact CD2-CG 3.82Å; Y135-Q276 HydrophobicContact CE2-CG 4.22Å; Y135-Q276 VanDerWaalsContact CE2-NE2 3.33Å; Y135-Q276 HydrophobicContact CG-CG 4.05Å; Y135-Q276 VanDerWaalsContact CZ-NE2 3.26Å; Y135-R277 WeakPolarHBondContact O-CA 3.47Å; Y135-R278 PolarHBondContact O-N 2.88Å; Y135-N301 PolarHBondContact N-OD1 3.29Å
136	G	92.4	Very high	88.4	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.5	-171	0	0	0	0	0	113.2	R278 V300 N301	G136-R278 CarbonylContact C-O 3.48Å; G136-R278 WeakPolarHBondContact CA-O 3.46Å; G136-V300 WeakPolarHBondContact CA-O 3.46Å; G136-N301 WeakPolarHBondContact CA-OD1 3.4Å; G136-N301 PolarHBondContact N-OD1 3.13Å; G136-N301 PolarHBondContact O-ND2 2.67Å
137	C	93.6	Very high	88.2	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.6	177.9	-168.4	0	0	0	0	112.3	F121 L122 C125 R278 V279 L280 C349	F121-C137 WeakPolarHBondContact CE1-SG 3.33Å; L122-C137 HydrophobicContact CD2-CB 4.18Å; C125-C137 HydrophobicContact CB-CB 3.63Å; C137-R278 PolarHBondContact N-O 3.18Å; C137-V279 HydrophobicContact CB-CG2 4.31Å; C137-V279 CarbonylContact O-C 3.48Å; C137-V279 WeakPolarHBondContact O-CA 3.31Å; C137-L280 PolarHBondContact O-N 2.84Å; C137-C349 CarbonylContact C-O 3.58Å; C137-C349 WeakPolarHBondContact CA-O 3.34Å
138	I	92.1	Very high	88.1	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.7	168.2	-58.7	172.4	0	0	0	108.4	A140 L280 I286 V297 V300 C349 L350 I351	I138-A140 HydrophobicContact CG2-CB 4.4Å; I138-L280 CarbonylContact C-O 3.58Å; I138-L280 WeakPolarHBondContact CA-O 3.38Å; I138-L280 HydrophobicContact CG1-CB 4.43Å; I138-L280 HydrophobicContact CG2-CD2 4.32Å; I138-I286 HydrophobicContact CG2-CD1 4.44Å; I138-V297 HydrophobicContact CD1-CG2 3.9Å; I138-V300 HydrophobicContact CG1-CB 4.36Å; I138-V300 HydrophobicContact CG1-CG1 4.28Å; I138-V300 HydrophobicContact CG1-CG2 3.91Å; I138-C349 PolarHBondContact N-O 2.74Å; I138-L350 HydrophobicContact CB-CB 4.23Å; I138-L350 HydrophobicContact CB-CD1 4.35Å; I138-L350 HydrophobicContact CB-CG 4.21Å; I138-L350 HydrophobicContact CG2-CD1 3.96Å; I138-L350 HydrophobicContact CG2-CG 4.1Å; I138-L350 VanDerWaalsContact O-CA 3.31Å; I138-L350 WeakPolarHBondContact O-CA 3.22Å; I138-I351 PolarHBondContact O-N 3.38Å
139	M	91.7	Very high	88.1	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	100.9	172.1	-174.5	172.2	59.2	0	0	108.7	L122 D141 K147 Q150 C151 L280 I281 S282 I351	L122-M139 HydrophobicContact CD1-SD 4.1Å; L122-M139 HydrophobicContact CD2-CB 4.5Å; M139-D141 HydrophobicContact CG-CB 4.32Å; M139-K147 HydrophobicContact CE-CB 3.45Å; M139-K147 VanDerWaalsContact CE-CB 3.45Å; M139-K147 HydrophobicContact CE-CD 4.08Å; M139-K147 HydrophobicContact CE-CG 3.71Å; M139-K147 HydrophobicContact CG-CD 4.43Å; M139-K147 HydrophobicContact CG-CG 4.47Å; M139-K147 HydrophobicContact SD-CB 4.35Å; M139-K147 HydrophobicContact SD-CG 4.12Å; M139-Q150 HydrophobicContact SD-CB 4.42Å; M139-C151 WeakPolarHBondContact CE-SG 3.43Å; M139-L280 PolarHBondContact N-O 3.02Å; M139-I281 HydrophobicContact CE-CB 4.43Å; M139-I281 HydrophobicContact CE-CD1 4.09Å; M139-I281 HydrophobicContact CE-CG1 3.91Å; M139-I281 HydrophobicContact CE-CG2 3.83Å; M139-I281 WeakPolarHBondContact O-CA 3.49Å; M139-S282 PolarHBondContact O-N 3.25Å; M139-I351 HydrophobicContact CB-CG2 4.21Å; M139-I351 HydrophobicContact CG-CG2 4.06Å
140	A	88	Confident	88.4	Confident	4 Å²	4	25.7 Å²	25.7	3%	0.033	16%	0.158	C	C	.	.			trans	-105	21.2	-177.3	0	0	0	0	0	112.7	I138 S282 L350 I351 R352	I138-A140 HydrophobicContact CG2-CB 4.4Å; A140-S282 CarbonylContact C-O 3.54Å; A140-S282 WeakPolarHBondContact CA-O 3.27Å; A140-L350 HydrophobicContact CB-CD1 4.39Å; A140-L350 HydrophobicContact CB-CD2 4.27Å; A140-L350 HydrophobicContact CB-CG 4.28Å; A140-I351 PolarHBondContact N-O 3.34Å; A140-R352 HydrophobicContact CB-CB 4.26Å; A140-R352 WeakPolarHBondContact O-CG 3.44Å
141	D	87.3	Confident	88.7	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-49.6	141.6	171.7	-88.5	3.9	0	0	0	112.6	M139 L145 K147 Q150 R353	M139-D141 HydrophobicContact CG-CB 4.32Å; D141-L145 HydrophobicContact CB-CB 4.35Å; D141-L145 HydrophobicContact CB-CD1 3.91Å; D141-K147 HydrophobicContact CB-CD 3.86Å; D141-K147 HydrophobicContact CB-CG 3.93Å; D141-K147 PolarHBondContact O-NZ 3.07Å; D141-Q150 PolarHBondContact OD2-NE2 3.18Å; D141-R353 VanDerWaalsContact CG-NH2 3.3Å; D141-R353 IonicContact OD1-CZ 3.36Å; D141-R353 PolarHBondContact OD1-N 2.78Å; D141-R353 IonicContact OD1-NE 2.68Å; D141-R353 PolarHBondContact OD1-NE 3.01Å; D141-R353 IonicContact OD1-NH2 3.86Å; D141-R353 PolarHBondContact OD1-NH2 3.31Å; D141-R353 IonicContact OD2-CZ 3.91Å; D141-R353 VanDerWaalsContact OD2-CZ 3.29Å; D141-R353 IonicContact OD2-NE 2.71Å; D141-R353 PolarHBondContact OD2-NE 3.05Å; D141-R353 IonicContact OD2-NH2 3.21Å; D141-R353 PolarHBondContact OD2-NH2 3.14Å
142	E	80.8	Confident	89.1	Confident	39 Å²	39	20.2 Å²	20.2	18%	0.182	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-58.5	163.3	173.3	-79.9	-172	-169.2	0	0	113.1	K147 R353 S355	E142-K147 PolarHBondContact O-NZ 2.98Å; E142-R353 PolarHBondContact N-O 3.4Å; E142-S355 WeakPolarHBondContact OE2-CB 3.47Å; E142-S355 PolarHBondContact OE2-N 2.98Å; E142-S355 PolarHBondContact OE2-OG 2.75Å
143	M	79.1	Confident	89.5	Confident	20 Å²	20	15.2 Å²	15.2	10%	0.099	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	135.8	-177.4	-46.5	-158	76.1	0	0	110.3	Q560 A563	M143-Q560 HydrophobicContact CE-CB 3.64Å; M143-Q560 HydrophobicContact CE-CG 3.32Å; M143-Q560 WeakPolarHBondContact SD-CA 3.45Å; M143-Q560 HydrophobicContact SD-CB 3.42Å; M143-Q560 WeakPolarHBondContact SD-CB 3.37Å; M143-Q560 HydrophobicContact SD-CG 3.86Å; M143-A563 HydrophobicContact CB-CB 3.99Å
144	G	75.9	Confident	90	Very high	25 Å²	25	12 Å²	12	26%	0.258	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.9	-13.8	179.5	0	0	0	0	0	115.7	G146	G144-G146 PolarHBondContact O-N 3.34Å
145	L	84.4	Confident	90.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-72.3	2.5	-177.8	-62.2	-170.9	0	0	0	116	H114 Q115 D141 Q150 R353 I357 L358	H114-L145 PolarHBondContact NE2-O 3.18Å; Q115-L145 PolarHBondContact NE2-O 3.29Å; Q115-L145 VanDerWaalsContact NE2-O 3.15Å; D141-L145 HydrophobicContact CB-CB 4.35Å; D141-L145 HydrophobicContact CB-CD1 3.91Å; L145-Q150 PolarHBondContact O-NE2 2.82Å; L145-R353 HydrophobicContact CD1-CB 3.77Å; L145-R353 WeakPolarHBondContact CD1-O 3.4Å; L145-I357 HydrophobicContact CD1-CD1 3.82Å; L145-I357 HydrophobicContact CD2-CD1 3.6Å; L145-I357 HydrophobicContact CD2-CG1 3.61Å; L145-I357 HydrophobicContact CG-CD1 4.33Å; L145-L358 HydrophobicContact CD2-CD1 3.83Å; L145-L358 HydrophobicContact CD2-CD2 3.67Å; L145-L358 HydrophobicContact CD2-CG 3.5Å
146	G	86.7	Confident	90.4	Very high	21 Å²	21	8.6 Å²	8.6	22%	0.216	5%	0.054	C	C	.	.			trans	79	35.4	177.7	0	0	0	0	0	114.4	G144 T148 L149 Q150	G144-G146 PolarHBondContact O-N 3.34Å; G146-T148 VanDerWaalsContact C-N 3.27Å; G146-T148 PolarHBondContact O-N 3.11Å; G146-L149 PolarHBondContact O-N 3.26Å; G146-Q150 PolarHBondContact O-N 3.32Å
147	K	90.6	Very high	90.5	Very high	23 Å²	23	8.5 Å²	8.5	10%	0.1	5%	0.054	C	C	.	.	H	α-helix	trans	-47	-45.7	176.1	-69.8	-168.3	-70.4	-93.1	0	113.5	M139 D141 E142 L149 Q150 C151 I281	M139-K147 HydrophobicContact CE-CB 3.45Å; M139-K147 VanDerWaalsContact CE-CB 3.45Å; M139-K147 HydrophobicContact CE-CD 4.08Å; M139-K147 HydrophobicContact CE-CG 3.71Å; M139-K147 HydrophobicContact CG-CD 4.43Å; M139-K147 HydrophobicContact CG-CG 4.47Å; M139-K147 HydrophobicContact SD-CB 4.35Å; M139-K147 HydrophobicContact SD-CG 4.12Å; D141-K147 HydrophobicContact CB-CD 3.86Å; D141-K147 HydrophobicContact CB-CG 3.93Å; D141-K147 PolarHBondContact O-NZ 3.07Å; E142-K147 PolarHBondContact O-NZ 2.98Å; K147-L149 PolarHBondContact O-N 2.71Å; K147-Q150 PolarHBondContact O-N 2.86Å; K147-C151 PolarHBondContact O-N 3.09Å; K147-C151 PolarHBondContact O-SG 2.95Å; K147-I281 HydrophobicContact CB-CG2 4.12Å; K147-I281 HydrophobicContact CD-CG2 3.58Å; K147-I281 HydrophobicContact CG-CG2 4.39Å
148	T	91.4	Very high	90.6	Very high	21 Å²	21	8.5 Å²	8.5	13%	0.129	5%	0.054	C	C	.	.	H	α-helix	trans	-57.9	-44.6	177.9	-47.7	0	0	0	0	112.4	G146 C151 I152 W184 E187	G146-T148 VanDerWaalsContact C-N 3.27Å; G146-T148 PolarHBondContact O-N 3.11Å; T148-C151 PolarHBondContact O-N 3.3Å; T148-I152 HydrophobicContact CG2-CD1 3.94Å; T148-I152 VanDerWaalsContact O-CG1 3.28Å; T148-I152 WeakPolarHBondContact O-CG1 3.35Å; T148-I152 PolarHBondContact O-N 2.87Å; T148-W184 HydrophobicContact CG2-CD2 3.87Å; T148-W184 HydrophobicContact CG2-CE3 3.69Å; T148-W184 HydrophobicContact CG2-CH2 3.88Å; T148-W184 HydrophobicContact CG2-CZ2 4.03Å; T148-W184 HydrophobicContact CG2-CZ3 3.7Å; T148-E187 HydrophobicContact CG2-CB 3.97Å; T148-E187 HydrophobicContact CG2-CG 4.16Å
149	L	92.8	Very high	90.6	Very high	10 Å²	10	8.8 Å²	8.8	5%	0.052	6%	0.055	C	C	.	.	H	α-helix	trans	-65.8	-41.2	179	174.4	58.8	0	0	0	111.7	L111 G146 K147 C151 I152 T153 W191	L111-L149 HydrophobicContact CD2-CD1 4.49Å; L111-L149 HydrophobicContact CD2-CD2 3.91Å; L111-L149 HydrophobicContact CD2-CG 3.79Å; G146-L149 PolarHBondContact O-N 3.26Å; K147-L149 PolarHBondContact O-N 2.71Å; L149-C151 VanDerWaalsContact C-N 3.33Å; L149-C151 PolarHBondContact O-N 3.12Å; L149-I152 PolarHBondContact O-N 3.04Å; L149-T153 WeakPolarHBondContact O-CB 3.22Å; L149-T153 PolarHBondContact O-N 3.28Å; L149-T153 PolarHBondContact O-OG1 3.34Å; L149-W191 HydrophobicContact CD1-CB 4.47Å; L149-W191 HydrophobicContact CD1-CD2 3.68Å; L149-W191 HydrophobicContact CD1-CE3 4.22Å; L149-W191 HydrophobicContact CD1-CG 3.78Å; L149-W191 HydrophobicContact CD1-CZ2 4.36Å; L149-W191 HydrophobicContact CD2-CH2 4.35Å; L149-W191 HydrophobicContact CD2-CZ2 4.09Å
150	Q	95.5	Very high	90.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.3	-45	175.8	-63.3	178.2	56.2	0	0	110.8	Q115 V119 L122 M139 D141 L145 G146 K147 T153 L154	Q115-Q150 HydrophobicContact CB-CG 3.92Å; Q115-Q150 HydrophobicContact CG-CG 4.16Å; V119-Q150 HydrophobicContact CG2-CB 4.01Å; V119-Q150 HydrophobicContact CG2-CG 4.29Å; L122-Q150 HydrophobicContact CD1-CB 4.07Å; M139-Q150 HydrophobicContact SD-CB 4.42Å; D141-Q150 PolarHBondContact OD2-NE2 3.18Å; L145-Q150 PolarHBondContact O-NE2 2.82Å; G146-Q150 PolarHBondContact O-N 3.32Å; K147-Q150 PolarHBondContact O-N 2.86Å; Q150-T153 WeakPolarHBondContact O-CB 3.4Å; Q150-T153 PolarHBondContact O-N 3.22Å; Q150-L154 PolarHBondContact O-N 3.31Å
151	C	96.3	Very high	90.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66.8	-40.2	176.8	-72.8	0	0	0	0	113.8	M139 K147 T148 L149 T153 L154 M155 W184 I252 I281	M139-C151 WeakPolarHBondContact CE-SG 3.43Å; K147-C151 PolarHBondContact O-N 3.09Å; K147-C151 PolarHBondContact O-SG 2.95Å; T148-C151 PolarHBondContact O-N 3.3Å; L149-C151 VanDerWaalsContact C-N 3.33Å; L149-C151 PolarHBondContact O-N 3.12Å; C151-T153 VanDerWaalsContact C-N 3.29Å; C151-T153 PolarHBondContact O-N 3.12Å; C151-L154 WeakPolarHBondContact O-CB 3.24Å; C151-L154 PolarHBondContact O-N 3.17Å; C151-M155 WeakPolarHBondContact O-CG 3.3Å; C151-M155 PolarHBondContact O-N 3.22Å; C151-W184 HydrophobicContact CB-CH2 3.67Å; C151-W184 HydrophobicContact CB-CZ3 4.16Å; C151-I252 HydrophobicContact CB-CD1 4.07Å; C151-I281 HydrophobicContact CB-CD1 4.38Å; C151-I281 WeakPolarHBondContact SG-CD1 3Å
152	I	96.1	Very high	90.8	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-61.7	-41.6	174.1	-70.5	167.8	0	0	0	110.3	T148 L149 M155 W156 W184 E187 V188 W191 L192	T148-I152 HydrophobicContact CG2-CD1 3.94Å; T148-I152 VanDerWaalsContact O-CG1 3.28Å; T148-I152 WeakPolarHBondContact O-CG1 3.35Å; T148-I152 PolarHBondContact O-N 2.87Å; L149-I152 PolarHBondContact O-N 3.04Å; I152-M155 HydrophobicContact CB-CE 4.45Å; I152-M155 HydrophobicContact CG1-CE 3.95Å; I152-M155 PolarHBondContact O-N 3.22Å; I152-W156 WeakPolarHBondContact O-CB 3.42Å; I152-W156 PolarHBondContact O-N 2.85Å; I152-W184 HydrophobicContact CG1-CE3 4.49Å; I152-W184 HydrophobicContact CG1-CZ3 4.09Å; I152-E187 HydrophobicContact CD1-CB 3.89Å; I152-V188 HydrophobicContact CD1-CG2 4.04Å; I152-V188 HydrophobicContact CG1-CG2 4.1Å; I152-W191 HydrophobicContact CG2-CB 4.45Å; I152-L192 HydrophobicContact CG2-CD1 3.81Å; I152-L192 HydrophobicContact CG2-CG 4.02Å
153	T	96.8	Very high	91.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.6	-44	176.7	-53.7	0	0	0	0	111.7	V103 L107 L111 V119 L149 Q150 C151 T157	V103-T153 HydrophobicContact CB-CG2 4.48Å; V103-T153 HydrophobicContact CG1-CG2 3.41Å; V103-T153 VanDerWaalsContact CG1-CG2 3.41Å; V103-T153 HydrophobicContact CG2-CG2 4.22Å; L107-T153 HydrophobicContact CB-CG2 4.26Å; L107-T153 HydrophobicContact CD1-CG2 4.03Å; L111-T153 HydrophobicContact CD1-CG2 3.97Å; V119-T153 HydrophobicContact CG1-CG2 3.81Å; V119-T153 HydrophobicContact CG2-CG2 3.98Å; L149-T153 WeakPolarHBondContact O-CB 3.22Å; L149-T153 PolarHBondContact O-N 3.28Å; L149-T153 PolarHBondContact O-OG1 3.34Å; Q150-T153 WeakPolarHBondContact O-CB 3.4Å; Q150-T153 PolarHBondContact O-N 3.22Å; C151-T153 VanDerWaalsContact C-N 3.29Å; C151-T153 PolarHBondContact O-N 3.12Å; T153-T157 WeakPolarHBondContact O-CB 3.43Å; T153-T157 PolarHBondContact O-N 2.94Å; T153-T157 PolarHBondContact O-OG1 2.92Å
154	L	96.9	Very high	91.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.7	-52.9	174.3	-179	71.8	0	0	0	111.5	L122 W123 V126 Q150 C151 W156 T157 L158 V279	L122-L154 HydrophobicContact CB-CD1 4Å; L122-L154 HydrophobicContact CB-CD2 3.95Å; L122-L154 HydrophobicContact CB-CG 4.43Å; L122-L154 HydrophobicContact CD2-CD2 4.39Å; W123-L154 HydrophobicContact CB-CD1 3.8Å; W123-L154 HydrophobicContact CG-CD1 4.34Å; V126-L154 HydrophobicContact CG1-CD2 4.4Å; V126-L154 HydrophobicContact CG2-CD1 3.95Å; V126-L154 HydrophobicContact CG2-CD2 4.45Å; Q150-L154 PolarHBondContact O-N 3.31Å; C151-L154 WeakPolarHBondContact O-CB 3.24Å; C151-L154 PolarHBondContact O-N 3.17Å; L154-W156 VanDerWaalsContact C-N 3.34Å; L154-W156 PolarHBondContact O-N 3.08Å; L154-T157 PolarHBondContact O-N 3.02Å; L154-L158 HydrophobicContact CD1-CD1 4.09Å; L154-L158 HydrophobicContact CD1-CG 4.47Å; L154-L158 HydrophobicContact CG-CD1 3.9Å; L154-L158 WeakPolarHBondContact O-CG 3.29Å; L154-L158 PolarHBondContact O-N 3.13Å; L154-V279 HydrophobicContact CD2-CG2 3.91Å
155	M	95.4	Very high	91.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-56.1	-48.4	179.3	-75.1	-168.5	-67.4	0	0	111.5	C151 I152 T157 L158 L159 A172 V174 W184 L250 I252	C151-M155 WeakPolarHBondContact O-CG 3.3Å; C151-M155 PolarHBondContact O-N 3.22Å; I152-M155 HydrophobicContact CB-CE 4.45Å; I152-M155 HydrophobicContact CG1-CE 3.95Å; I152-M155 PolarHBondContact O-N 3.22Å; M155-T157 VanDerWaalsContact C-N 3.33Å; M155-T157 PolarHBondContact O-N 3.4Å; M155-L158 PolarHBondContact O-N 3.39Å; M155-L159 WeakPolarHBondContact O-CB 3.4Å; M155-L159 VanDerWaalsContact O-CG 3.25Å; M155-L159 WeakPolarHBondContact O-CG 3.23Å; M155-L159 PolarHBondContact O-N 3.47Å; M155-A172 HydrophobicContact CG-CB 4.29Å; M155-A172 HydrophobicContact SD-CB 3.99Å; M155-V174 HydrophobicContact CE-CG2 4.02Å; M155-V174 HydrophobicContact SD-CG2 3.68Å; M155-W184 HydrophobicContact CE-CZ3 4.06Å; M155-L250 HydrophobicContact CG-CD2 3.8Å; M155-I252 HydrophobicContact CE-CD1 4.25Å; M155-I252 HydrophobicContact CG-CD1 3.48Å; M155-I252 VanDerWaalsContact CG-CD1 3.48Å; M155-I252 HydrophobicContact SD-CD1 3.59Å; M155-I252 VanDerWaalsContact SD-CD1 3.59Å
156	W	95.3	Very high	91.8	Very high	14 Å²	14	23.5 Å²	23.5	5%	0.053	12%	0.123	C	C	.	.	H	α-helix	trans	-61.1	-43.7	-179.9	-179.8	-115.2	0	0	0	111.8	D104 L107 I152 L154 L159 R160 L192 R195 I196	D104-W156 PolarHBondContact OD2-NE1 2.98Å; L107-W156 HydrophobicContact CD1-CB 4.12Å; L107-W156 HydrophobicContact CD1-CG 4.17Å; I152-W156 WeakPolarHBondContact O-CB 3.42Å; I152-W156 PolarHBondContact O-N 2.85Å; L154-W156 VanDerWaalsContact C-N 3.34Å; L154-W156 PolarHBondContact O-N 3.08Å; W156-L159 PolarHBondContact O-N 3.41Å; W156-R160 HydrophobicContact CD2-CG 4.04Å; W156-R160 HydrophobicContact CE3-CG 4.11Å; W156-R160 HydrophobicContact CH2-CG 4.03Å; W156-R160 HydrophobicContact CZ2-CG 3.91Å; W156-R160 HydrophobicContact CZ3-CG 4.11Å; W156-R160 VanDerWaalsContact CZ3-NE 3.28Å; W156-R160 WeakPolarHBondContact O-CB 3.28Å; W156-R160 WeakPolarHBondContact O-CG 3.5Å; W156-R160 PolarHBondContact O-N 3.35Å; W156-L192 HydrophobicContact CB-CD1 4.26Å; W156-L192 HydrophobicContact CB-CD2 4.2Å; W156-L192 HydrophobicContact CD2-CD1 4.28Å; W156-L192 HydrophobicContact CD2-CD2 3.86Å; W156-L192 HydrophobicContact CE3-CD1 3.95Å; W156-L192 HydrophobicContact CE3-CD2 4.24Å; W156-L192 HydrophobicContact CG-CD1 4.43Å; W156-L192 HydrophobicContact CG-CD2 3.83Å; W156-R195 HydrophobicContact CH2-CB 3.86Å; W156-R195 HydrophobicContact CZ2-CB 4.49Å; W156-R195 HydrophobicContact CZ3-CB 4.43Å; W156-I196 HydrophobicContact CE3-CD1 4.04Å; W156-I196 HydrophobicContact CZ3-CB 4.12Å; W156-I196 HydrophobicContact CZ3-CD1 3.95Å
157	T	95	Very high	91.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.5	-46.3	178.9	-53.8	0	0	0	0	110.8	L78 V101 T153 L154 M155 L159 R160 Q161	L78-T157 HydrophobicContact CD1-CG2 3.81Å; V101-T157 HydrophobicContact CG1-CG2 3.61Å; T153-T157 WeakPolarHBondContact O-CB 3.43Å; T153-T157 PolarHBondContact O-N 2.94Å; T153-T157 PolarHBondContact O-OG1 2.92Å; L154-T157 PolarHBondContact O-N 3.02Å; M155-T157 VanDerWaalsContact C-N 3.33Å; M155-T157 PolarHBondContact O-N 3.4Å; T157-L159 PolarHBondContact O-N 3.21Å; T157-R160 PolarHBondContact O-N 3.5Å; T157-Q161 HydrophobicContact CG2-CB 4.43Å; T157-Q161 WeakPolarHBondContact O-CA 3.46Å; T157-Q161 WeakPolarHBondContact O-CB 3.44Å; T157-Q161 PolarHBondContact O-N 2.88Å
158	L	94.6	Very high	92	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68	-33.5	179.1	-64.7	168.4	0	0	0	113.1	V126 T127 L154 M155 R160 E168 I169 L250	V126-L158 HydrophobicContact CG2-CD1 3.97Å; V126-L158 HydrophobicContact CG2-CD2 4.41Å; T127-L158 HydrophobicContact CG2-CD2 4.47Å; L154-L158 HydrophobicContact CD1-CD1 4.09Å; L154-L158 HydrophobicContact CD1-CG 4.47Å; L154-L158 HydrophobicContact CG-CD1 3.9Å; L154-L158 WeakPolarHBondContact O-CG 3.29Å; L154-L158 PolarHBondContact O-N 3.13Å; M155-L158 PolarHBondContact O-N 3.39Å; L158-R160 PolarHBondContact O-N 3.25Å; L158-E168 HydrophobicContact CB-CB 4.29Å; L158-E168 HydrophobicContact CD2-CB 3.83Å; L158-E168 HydrophobicContact CD2-CG 3.73Å; L158-E168 WeakPolarHBondContact O-CB 3.17Å; L158-E168 PolarHBondContact O-N 2.98Å; L158-I169 HydrophobicContact CB-CD1 3.7Å; L158-I169 HydrophobicContact CB-CG1 3.72Å; L158-I169 HydrophobicContact CB-CG2 4.42Å; L158-I169 HydrophobicContact CD1-CD1 4.31Å; L158-I169 PolarHBondContact O-N 3.2Å; L158-L250 HydrophobicContact CD1-CD2 3.85Å
159	L	92.1	Very high	92	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-72.2	-14	177.8	-77.9	169.7	0	0	0	113.8	M155 W156 T157 P167 I169 N170 I196 P227 I228	M155-L159 WeakPolarHBondContact O-CB 3.4Å; M155-L159 VanDerWaalsContact O-CG 3.25Å; M155-L159 WeakPolarHBondContact O-CG 3.23Å; M155-L159 PolarHBondContact O-N 3.47Å; W156-L159 PolarHBondContact O-N 3.41Å; T157-L159 PolarHBondContact O-N 3.21Å; L159-P167 WeakPolarHBondContact O-CB 3.4Å; L159-I169 HydrophobicContact CD2-CD1 4.36Å; L159-I169 HydrophobicContact CD2-CG1 3.9Å; L159-I169 HydrophobicContact CG-CD1 4.26Å; L159-I169 HydrophobicContact CG-CG1 4.07Å; L159-N170 WeakPolarHBondContact CD2-O 3.5Å; L159-I196 HydrophobicContact CD1-CD1 3.75Å; L159-P227 HydrophobicContact CD1-CB 4.38Å; L159-P227 HydrophobicContact CD1-CG 4.4Å; L159-P227 HydrophobicContact CD2-CB 3.83Å; L159-I228 HydrophobicContact CD1-CD1 4.07Å; L159-I228 HydrophobicContact CD1-CG1 3.86Å
160	R	90	Very high	91.9	Very high	94 Å²	94	29.5 Å²	29.5	36%	0.355	15%	0.151	S	C	.	.	H	α-helix	trans	-123.8	-28.1	-173.7	-63.3	-60.8	-176.5	-143.5	5.3	113.9	L67 W156 T157 L158 R195	L67-R160 HydrophobicContact CD2-CB 3.82Å; W156-R160 HydrophobicContact CD2-CG 4.04Å; W156-R160 HydrophobicContact CE3-CG 4.11Å; W156-R160 HydrophobicContact CH2-CG 4.03Å; W156-R160 HydrophobicContact CZ2-CG 3.91Å; W156-R160 HydrophobicContact CZ3-CG 4.11Å; W156-R160 VanDerWaalsContact CZ3-NE 3.28Å; W156-R160 WeakPolarHBondContact O-CB 3.28Å; W156-R160 WeakPolarHBondContact O-CG 3.5Å; W156-R160 PolarHBondContact O-N 3.35Å; T157-R160 PolarHBondContact O-N 3.5Å; L158-R160 PolarHBondContact O-N 3.25Å; R160-R195 PolarHBondContact NH2-O 2.91Å
161	Q	91.1	Very high	91.7	Very high	5 Å²	5	30 Å²	30	2%	0.023	15%	0.153	C	C	.	.			trans	-134.9	150.9	-168.6	-62.5	179.3	70	0	0	111.9	L67 H68 V101 V102 T157 K166 E168	L67-Q161 HydrophobicContact CB-CG 3.73Å; L67-Q161 HydrophobicContact CD2-CG 3.66Å; L67-Q161 HydrophobicContact CG-CG 4.36Å; H68-Q161 PolarHBondContact CD2-NE2 2.76Å; V101-Q161 HydrophobicContact CG1-CB 4.17Å; V102-Q161 VanDerWaalsContact N-OE1 3.14Å; V102-Q161 PolarHBondContact O-NE2 2.98Å; V102-Q161 PolarHBondContact O-OE1 3.48Å; V102-Q161 VanDerWaalsContact O-OE1 3.1Å; T157-Q161 HydrophobicContact CG2-CB 4.43Å; T157-Q161 WeakPolarHBondContact O-CA 3.46Å; T157-Q161 WeakPolarHBondContact O-CB 3.44Å; T157-Q161 PolarHBondContact O-N 2.88Å; Q161-K166 CarbonylContact C-O 3.59Å; Q161-E168 PolarHBondContact O-N 3.44Å
162	S	89.4	Confident	91.7	Very high	3 Å²	3	30 Å²	30	2%	0.021	15%	0.153	C	C	.	.			trans	-153.9	172.2	167.3	62.8	0	0	0	0	107.5	N164 A165 K166 E168	S162-N164 PolarHBondContact O-N 3.01Å; S162-N164 PolarHBondContact OG-N 2.91Å; S162-N164 VanDerWaalsContact OG-N 3.1Å; S162-A165 PolarHBondContact O-N 3.46Å; S162-K166 WeakPolarHBondContact CB-O 3.5Å; S162-K166 PolarHBondContact N-O 3.34Å; S162-K166 PolarHBondContact OG-N 2.86Å; S162-K166 PolarHBondContact OG-O 2.97Å; S162-E168 WeakPolarHBondContact CB-OE2 3.23Å
163	L	87.2	Confident	91.7	Very high	43 Å²	43	29.9 Å²	29.9	23%	0.225	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-25.4	169.1	-63	72.1	0	0	0	111.9	Y79 P98 V99 W123 R129	Y79-L163 HydrophobicContact CD1-CD2 4.43Å; Y79-L163 HydrophobicContact CD1-CG 3.85Å; Y79-L163 HydrophobicContact CE1-CB 4.25Å; Y79-L163 HydrophobicContact CE1-CD2 3.84Å; Y79-L163 HydrophobicContact CE1-CG 3.65Å; P98-L163 CarbonylContact C-O 3.55Å; P98-L163 WeakPolarHBondContact CA-O 3.35Å; P98-L163 HydrophobicContact CB-CB 4.43Å; V99-L163 WeakPolarHBondContact CG2-O 3.25Å; V99-L163 PolarHBondContact N-O 2.97Å; W123-L163 HydrophobicContact CH2-CD1 4.4Å; W123-L163 HydrophobicContact CZ2-CD1 4.33Å; R129-L163 VanDerWaalsContact NH2-CD1 3.34Å; R129-L163 VanDerWaalsContact NH2-CD2 3.26Å; R129-L163 VanDerWaalsContact NH2-CG 3.34Å
164	N	84.8	Confident	91.7	Very high	77 Å²	77	29.9 Å²	29.9	41%	0.412	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	10.8	-173.8	-76	-46.6	0	0	0	114.3	R64 S162 K166	R64-N164 PolarHBondContact NE-O 3.47Å; R64-N164 PolarHBondContact NH2-O 3.14Å; R64-N164 PolarHBondContact NH2-OD1 3.24Å; R64-N164 VanDerWaalsContact NH2-OD1 3.16Å; S162-N164 PolarHBondContact O-N 3.01Å; S162-N164 PolarHBondContact OG-N 2.91Å; S162-N164 VanDerWaalsContact OG-N 3.1Å; N164-K166 HydrophobicContact CB-CD 4.23Å; N164-K166 HydrophobicContact CB-CG 3.93Å; N164-K166 PolarHBondContact O-N 3.11Å
165	A	83.1	Confident	91.6	Very high	49 Å²	49	29.9 Å²	29.9	41%	0.405	15%	0.153	S	C	.	.	S	Bend	trans	58.8	27.7	-174.9	0	0	0	0	0	114.1	R64 V99 S162	R64-A165 HydrophobicContact CG-CB 3.66Å; V99-A165 HydrophobicContact CG1-CB 4.25Å; V99-A165 HydrophobicContact CG2-CB 3.83Å; S162-A165 PolarHBondContact O-N 3.46Å
166	K	87.2	Confident	91.3	Very high	125 Å²	125	29.9 Å²	29.9	54%	0.543	15%	0.152	S	C	.	.	S	Bend	trans	-131.8	166.5	174.4	62.5	-176.8	-179.2	-177.5	0	110.3	Q161 S162 N164 E168	Q161-K166 CarbonylContact C-O 3.59Å; S162-K166 WeakPolarHBondContact CB-O 3.5Å; S162-K166 PolarHBondContact N-O 3.34Å; S162-K166 PolarHBondContact OG-N 2.86Å; S162-K166 PolarHBondContact OG-O 2.97Å; N164-K166 HydrophobicContact CB-CD 4.23Å; N164-K166 HydrophobicContact CB-CG 3.93Å; N164-K166 PolarHBondContact O-N 3.11Å; K166-E168 PolarHBondContact O-N 3.15Å
167	P	89.5	Confident	90.9	Very high	46 Å²	46	29.4 Å²	29.4	30%	0.299	15%	0.151	S	C	.	.			trans	-57.6	136.3	170.2	-25.8	36.6	0	0	0	111.7	L159 I169	L159-P167 WeakPolarHBondContact O-CB 3.4Å; P167-I169 WeakPolarHBondContact CB-O 3.27Å
168	E	91	Very high	90.2	Very high	57 Å²	57	31.3 Å²	31.3	27%	0.266	17%	0.165	S	C	.	.	S	Bend	trans	-73.2	-37.1	172.3	-169.3	67.1	-159.8	0	0	110.6	L158 Q161 S162 K166 R277	L158-E168 HydrophobicContact CB-CB 4.29Å; L158-E168 HydrophobicContact CD2-CB 3.83Å; L158-E168 HydrophobicContact CD2-CG 3.73Å; L158-E168 WeakPolarHBondContact O-CB 3.17Å; L158-E168 PolarHBondContact O-N 2.98Å; Q161-E168 PolarHBondContact O-N 3.44Å; S162-E168 WeakPolarHBondContact CB-OE2 3.23Å; K166-E168 PolarHBondContact O-N 3.15Å; E168-R277 IonicContact OE1-CZ 3.89Å; E168-R277 IonicContact OE1-NH2 3.01Å; E168-R277 PolarHBondContact OE1-NH2 2.96Å
169	I	92.6	Very high	89.2	Confident	5 Å²	5	33.3 Å²	33.3	3%	0.026	18%	0.178	C	C	.	.			trans	-130.2	153.7	176.4	70.7	179.8	0	0	0	110.7	L158 L159 P167 A172 L250	L158-I169 HydrophobicContact CB-CD1 3.7Å; L158-I169 HydrophobicContact CB-CG1 3.72Å; L158-I169 HydrophobicContact CB-CG2 4.42Å; L158-I169 HydrophobicContact CD1-CD1 4.31Å; L158-I169 PolarHBondContact O-N 3.2Å; L159-I169 HydrophobicContact CD2-CD1 4.36Å; L159-I169 HydrophobicContact CD2-CG1 3.9Å; L159-I169 HydrophobicContact CG-CD1 4.26Å; L159-I169 HydrophobicContact CG-CG1 4.07Å; P167-I169 WeakPolarHBondContact CB-O 3.27Å; I169-A172 HydrophobicContact CD1-CB 4.15Å; I169-L250 HydrophobicContact CD1-CB 3.55Å; I169-L250 HydrophobicContact CD1-CD2 4.03Å; I169-L250 HydrophobicContact CD1-CG 4.48Å
170	N	90.3	Very high	88.6	Confident	93 Å²	93	33.4 Å²	33.4	50%	0.497	18%	0.179	S	C	.	.	S	Bend	trans	-98.9	-29.9	174.4	-65.1	-30.8	0	0	0	112.9	L159 P227	L159-N170 WeakPolarHBondContact CD2-O 3.5Å; N170-P227 WeakPolarHBondContact O-CB 3.45Å
171	K	92.3	Very high	88.4	Confident	10 Å²	10	28.9 Å²	28.9	4%	0.043	16%	0.162	C	C	.	.			trans	-141.9	142.1	-174.4	-62	-178.5	-168	176.6	0	111	F216 I217 Q219 P227 G249	K171-F216 HydrophobicContact CB-CZ 3.95Å; K171-F216 HydrophobicContact CD-CE1 4.17Å; K171-F216 HydrophobicContact CD-CE2 4.43Å; K171-F216 HydrophobicContact CD-CZ 4.05Å; K171-F216 WeakPolarHBondContact CE-O 3.41Å; K171-F216 HydrophobicContact CG-CZ 4.25Å; K171-F216 PolarHBondContact NZ-O 3.19Å; K171-I217 PolarHBondContact NZ-O 3.45Å; K171-Q219 WeakPolarHBondContact CE-O 3.11Å; K171-Q219 PolarHBondContact NZ-O 2.97Å; K171-P227 CarbonylContact C-O 3.6Å; K171-P227 VanDerWaalsContact CA-O 3.29Å; K171-P227 WeakPolarHBondContact CA-O 3.43Å; K171-G249 PolarHBondContact O-N 3.03Å; K171-G249 VanDerWaalsContact O-N 3.07Å
172	A	95.1	Very high	88	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.7	173.1	0	0	0	0	0	110.3	M155 I169 P227 L229 L250	M155-A172 HydrophobicContact CG-CB 4.29Å; M155-A172 HydrophobicContact SD-CB 3.99Å; I169-A172 HydrophobicContact CD1-CB 4.15Å; A172-P227 PolarHBondContact N-O 2.98Å; A172-L229 PolarHBondContact O-N 3.15Å; A172-L250 WeakPolarHBondContact CA-O 3.25Å; A172-L250 HydrophobicContact CB-CB 4.32Å; A172-L250 HydrophobicContact CB-CD2 4.48Å
173	I	96.1	Very high	87.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.4	172.5	-61.3	-177.9	0	0	0	108.7	V175 F216 L229 I231 L243 V248 L250 V251 I252 M273	I173-V175 HydrophobicContact CG2-CG2 3.8Å; I173-F216 HydrophobicContact CD1-CE1 4.21Å; I173-F216 HydrophobicContact CG1-CE1 4.03Å; I173-F216 HydrophobicContact CG1-CZ 4.27Å; I173-L229 CarbonylContact C-O 3.53Å; I173-L229 WeakPolarHBondContact CA-O 3.29Å; I173-L229 HydrophobicContact CD1-CD2 4.15Å; I173-L229 HydrophobicContact CG1-CB 4.24Å; I173-L229 HydrophobicContact CG1-CD2 4.18Å; I173-L229 HydrophobicContact CG2-CD2 4.44Å; I173-I231 HydrophobicContact CG2-CG2 3.92Å; I173-L243 HydrophobicContact CD1-CD2 3.8Å; I173-V248 HydrophobicContact CB-CG1 4.33Å; I173-V248 HydrophobicContact CD1-CB 4.41Å; I173-V248 HydrophobicContact CD1-CG1 3.97Å; I173-V248 HydrophobicContact CD1-CG2 3.61Å; I173-V248 HydrophobicContact CG1-CG1 3.78Å; I173-V248 HydrophobicContact CG1-CG2 4.24Å; I173-L250 PolarHBondContact N-O 2.87Å; I173-V251 CarbonylContact O-C 3.59Å; I173-V251 WeakPolarHBondContact O-CA 3.34Å; I173-I252 PolarHBondContact O-N 3.38Å; I173-M273 HydrophobicContact CD1-SD 3.94Å
174	V	96.6	Very high	87.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	116	169.6	-176.5	0	0	0	0	107.8	M155 W184 L229 I230 I231 I252	M155-V174 HydrophobicContact CE-CG2 4.02Å; M155-V174 HydrophobicContact SD-CG2 3.68Å; V174-W184 HydrophobicContact CG1-CD2 3.76Å; V174-W184 HydrophobicContact CG1-CE3 3.98Å; V174-W184 HydrophobicContact CG1-CG 4.17Å; V174-W184 HydrophobicContact CG1-CH2 4.35Å; V174-W184 HydrophobicContact CG1-CZ2 4.18Å; V174-W184 HydrophobicContact CG1-CZ3 4.27Å; V174-W184 HydrophobicContact CG2-CE3 4.39Å; V174-W184 HydrophobicContact CG2-CZ3 4.42Å; V174-L229 PolarHBondContact N-O 3.39Å; V174-I230 HydrophobicContact CB-CG1 4.29Å; V174-I230 HydrophobicContact CB-CG2 4.33Å; V174-I230 HydrophobicContact CG1-CG2 4.47Å; V174-I230 WeakPolarHBondContact O-CA 3.42Å; V174-I231 PolarHBondContact O-N 2.86Å; V174-I252 CarbonylContact C-O 3.55Å; V174-I252 WeakPolarHBondContact CA-O 3.37Å; V174-I252 HydrophobicContact CG2-CB 4.33Å; V174-I252 HydrophobicContact CG2-CD1 4.43Å
175	V	94.7	Very high	87.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.7	174.7	-169.1	0	0	0	0	107.6	I173 I231 Y233 F236 I252 D254 L270	I173-V175 HydrophobicContact CG2-CG2 3.8Å; V175-I231 WeakPolarHBondContact CA-O 3.12Å; V175-I231 HydrophobicContact CG2-CG2 4.07Å; V175-Y233 HydrophobicContact CB-CD1 4.49Å; V175-Y233 HydrophobicContact CB-CE1 4.25Å; V175-Y233 HydrophobicContact CG1-CD1 3.34Å; V175-Y233 HydrophobicContact CG1-CD2 4.34Å; V175-Y233 HydrophobicContact CG1-CE1 3.54Å; V175-Y233 HydrophobicContact CG1-CE2 4.48Å; V175-Y233 HydrophobicContact CG1-CG 3.8Å; V175-F236 HydrophobicContact CG1-CB 4.28Å; V175-F236 HydrophobicContact CG1-CG 4.47Å; V175-F236 HydrophobicContact CG2-CD2 4.01Å; V175-F236 HydrophobicContact CG2-CE2 4.39Å; V175-F236 HydrophobicContact CG2-CG 4.4Å; V175-I252 PolarHBondContact N-O 3.31Å; V175-D254 PolarHBondContact O-N 3.21Å; V175-L270 HydrophobicContact CG2-CD2 3.89Å
176	S	90.4	Very high	88	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	165	-175.7	63.9	0	0	0	0	110.7	V181 I231 S232 Y233	S176-V181 WeakPolarHBondContact OG-CG2 3.45Å; S176-I231 PolarHBondContact N-O 3.33Å; S176-S232 CarbonylContact O-C 3.2Å; S176-S232 WeakPolarHBondContact O-CA 3.46Å; S176-Y233 WeakPolarHBondContact O-CD2 3.3Å; S176-Y233 PolarHBondContact O-N 3.45Å
177	P	85.3	Confident	88.1	Confident	5 Å²	5	32.1 Å²	32.1	3%	0.032	16%	0.163	C	C	.	.			trans	-54.1	143	165.5	-24.4	34.1	0	0	0	111.1	S179 L180 V181 Y233 E255	P177-S179 PolarHBondContact O-N 3.12Å; P177-L180 HydrophobicContact CB-CG 4.46Å; P177-L180 HydrophobicContact CG-CD1 4.02Å; P177-L180 HydrophobicContact CG-CG 4.46Å; P177-L180 WeakPolarHBondContact O-CA 3.39Å; P177-L180 PolarHBondContact O-N 3.16Å; P177-V181 PolarHBondContact O-N 3.24Å; P177-Y233 HydrophobicContact CG-CE2 4.5Å; P177-E255 HydrophobicContact CG-CB 4.11Å; P177-E255 HydrophobicContact CG-CG 4.06Å
178	S	80.7	Confident	88.2	Confident	40 Å²	40	30 Å²	30	28%	0.28	15%	0.149	S	C	.	.	H	α-helix	trans	-46.3	-39.6	178.1	-82	0	0	0	0	113.6	L180 V181 D202 S232	S178-L180 PolarHBondContact O-N 2.83Å; S178-V181 PolarHBondContact O-N 3.36Å; S178-D202 WeakPolarHBondContact CB-OD1 3.37Å; S178-D202 PolarHBondContact OG-OD1 2.9Å; S178-S232 WeakPolarHBondContact OG-CB 3.22Å
179	S	73.5	Confident	88.1	Confident	41 Å²	41	28.9 Å²	28.9	29%	0.287	15%	0.153	S	C	.	.	H	α-helix	trans	-68.1	-18.6	-179.6	62.8	0	0	0	0	115.2	P177 C536	P177-S179 PolarHBondContact O-N 3.12Å; S179-C536 WeakPolarHBondContact CB-SG 3.3Å; S179-C536 PolarHBondContact OG-SG 2.84Å
180	L	80.8	Confident	87.9	Confident	8 Å²	8	34.8 Å²	34.8	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-99.7	-15.3	179.2	-68.7	-176.4	0	0	0	113.3	P177 S178 R182 N183 W184 E255 C536	P177-L180 HydrophobicContact CB-CG 4.46Å; P177-L180 HydrophobicContact CG-CD1 4.02Å; P177-L180 HydrophobicContact CG-CG 4.46Å; P177-L180 WeakPolarHBondContact O-CA 3.39Å; P177-L180 PolarHBondContact O-N 3.16Å; S178-L180 PolarHBondContact O-N 2.83Å; L180-R182 PolarHBondContact O-N 2.95Å; L180-N183 HydrophobicContact CD2-CB 4.49Å; L180-N183 WeakPolarHBondContact O-CA 3.26Å; L180-N183 WeakPolarHBondContact O-CB 3.16Å; L180-N183 PolarHBondContact O-N 3.29Å; L180-W184 PolarHBondContact O-N 3.4Å; L180-E255 HydrophobicContact CD1-CG 4.17Å; L180-C536 HydrophobicContact CD2-CB 4.42Å; L180-C536 VanDerWaalsContact CD2-O 3.31Å; L180-C536 WeakPolarHBondContact CD2-O 3.16Å
181	V	85.4	Confident	87.9	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-54.1	-50.3	-177.7	170.6	0	0	0	0	111.8	S176 P177 S178 N183 W184 Y185 A200 D202 I230	S176-V181 WeakPolarHBondContact OG-CG2 3.45Å; P177-V181 PolarHBondContact O-N 3.24Å; S178-V181 PolarHBondContact O-N 3.36Å; V181-N183 VanDerWaalsContact C-N 3.32Å; V181-N183 PolarHBondContact O-N 3.37Å; V181-W184 PolarHBondContact O-N 2.89Å; V181-Y185 PolarHBondContact O-N 3.47Å; V181-A200 HydrophobicContact CG1-CB 3.93Å; V181-D202 HydrophobicContact CB-CB 4.21Å; V181-D202 HydrophobicContact CG1-CB 3.94Å; V181-I230 HydrophobicContact CB-CG2 4.3Å; V181-I230 HydrophobicContact CG1-CB 4.42Å; V181-I230 HydrophobicContact CG1-CG2 3.88Å
182	R	81.8	Confident	87.7	Confident	95 Å²	95	32.4 Å²	32.4	36%	0.358	16%	0.163	S	C	.	.	H	α-helix	trans	-69.3	-30.2	178	-77.3	170.4	168.7	107.3	-7.6	112.9	L180 Y185 N186 D202 I507	L180-R182 PolarHBondContact O-N 2.95Å; R182-Y185 PolarHBondContact O-N 2.68Å; R182-N186 VanDerWaalsContact O-CG 3.25Å; R182-N186 PolarHBondContact O-N 3.21Å; R182-N186 PolarHBondContact O-ND2 2.99Å; R182-D202 IonicContact CZ-OD2 3.42Å; R182-D202 IonicContact NH1-OD2 2.87Å; R182-D202 PolarHBondContact NH1-OD2 3.05Å; R182-I507 HydrophobicContact CB-CG2 4.21Å; R182-I507 HydrophobicContact CG-CG2 4.34Å
183	N	83.4	Confident	87.3	Confident	39 Å²	39	34.3 Å²	34.3	21%	0.209	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-45.4	175.2	-174.5	71.1	0	0	0	110.7	L180 V181 Y185 N186 E187	L180-N183 HydrophobicContact CD2-CB 4.49Å; L180-N183 WeakPolarHBondContact O-CA 3.26Å; L180-N183 WeakPolarHBondContact O-CB 3.16Å; L180-N183 PolarHBondContact O-N 3.29Å; V181-N183 VanDerWaalsContact C-N 3.32Å; V181-N183 PolarHBondContact O-N 3.37Å; N183-Y185 VanDerWaalsContact C-N 3.33Å; N183-Y185 PolarHBondContact O-N 2.98Å; N183-N186 PolarHBondContact O-N 2.77Å; N183-E187 WeakPolarHBondContact O-CG 3.17Å; N183-E187 PolarHBondContact O-N 2.85Å
184	W	89.3	Confident	86.6	Confident	1 Å²	1	38.3 Å²	38.3	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-43.5	172.7	-87.9	96.5	0	0	0	112.3	T148 C151 I152 M155 V174 L180 V181 N186 E187 V188 I230 I252 D254 I281	T148-W184 HydrophobicContact CG2-CD2 3.87Å; T148-W184 HydrophobicContact CG2-CE3 3.69Å; T148-W184 HydrophobicContact CG2-CH2 3.88Å; T148-W184 HydrophobicContact CG2-CZ2 4.03Å; T148-W184 HydrophobicContact CG2-CZ3 3.7Å; C151-W184 HydrophobicContact CB-CH2 3.67Å; C151-W184 HydrophobicContact CB-CZ3 4.16Å; I152-W184 HydrophobicContact CG1-CE3 4.49Å; I152-W184 HydrophobicContact CG1-CZ3 4.09Å; M155-W184 HydrophobicContact CE-CZ3 4.06Å; V174-W184 HydrophobicContact CG1-CD2 3.76Å; V174-W184 HydrophobicContact CG1-CE3 3.98Å; V174-W184 HydrophobicContact CG1-CG 4.17Å; V174-W184 HydrophobicContact CG1-CH2 4.35Å; V174-W184 HydrophobicContact CG1-CZ2 4.18Å; V174-W184 HydrophobicContact CG1-CZ3 4.27Å; V174-W184 HydrophobicContact CG2-CE3 4.39Å; V174-W184 HydrophobicContact CG2-CZ3 4.42Å; L180-W184 PolarHBondContact O-N 3.4Å; V181-W184 PolarHBondContact O-N 2.89Å; W184-N186 VanDerWaalsContact C-N 3.35Å; W184-N186 PolarHBondContact O-N 2.81Å; W184-E187 PolarHBondContact O-N 2.76Å; W184-V188 WeakPolarHBondContact O-CG2 3.32Å; W184-V188 PolarHBondContact O-N 2.82Å; W184-I230 HydrophobicContact CB-CD1 3.94Å; W184-I230 HydrophobicContact CB-CG2 3.8Å; W184-I230 HydrophobicContact CG-CG2 4.5Å; W184-I252 HydrophobicContact CH2-CG2 4.41Å; W184-D254 HydrophobicContact CZ2-CB 4.33Å; W184-D254 PolarHBondContact NE1-OD2 3.43Å; W184-I281 HydrophobicContact CH2-CD1 4.09Å; W184-I281 HydrophobicContact CZ2-CD1 3.91Å
185	Y	88.2	Confident	86.1	Confident	104 Å²	104	43.9 Å²	43.9	41%	0.408	25%	0.245	S	C	.	.	H	α-helix	trans	-57.9	-47.6	176.6	-179.3	-87	0	0	0	111.8	V181 R182 N183 V188 G189 P198 A200	V181-Y185 PolarHBondContact O-N 3.47Å; R182-Y185 PolarHBondContact O-N 2.68Å; N183-Y185 VanDerWaalsContact C-N 3.33Å; N183-Y185 PolarHBondContact O-N 2.98Å; Y185-V188 PolarHBondContact O-N 2.88Å; Y185-G189 PolarHBondContact O-N 3.41Å; Y185-G189 VanDerWaalsContact O-N 3.14Å; Y185-P198 HydrophobicContact CD2-CB 4.18Å; Y185-P198 HydrophobicContact CD2-CG 3.72Å; Y185-P198 HydrophobicContact CE2-CB 4.42Å; Y185-P198 HydrophobicContact CE2-CG 3.74Å; Y185-P198 WeakPolarHBondContact CE2-O 3.41Å; Y185-P198 HydrophobicContact CG-CG 4.46Å; Y185-A200 HydrophobicContact CD2-CB 3.65Å; Y185-A200 HydrophobicContact CE2-CB 4.47Å; Y185-A200 HydrophobicContact CG-CB 4.11Å
186	N	84.8	Confident	85.7	Confident	94 Å²	94	44.4 Å²	44.4	50%	0.503	25%	0.247	S	C	.	.	H	α-helix	trans	-66.3	-39.7	179	-68.8	-17.8	0	0	0	112.3	R182 N183 W184 G189 K190	R182-N186 VanDerWaalsContact O-CG 3.25Å; R182-N186 PolarHBondContact O-N 3.21Å; R182-N186 PolarHBondContact O-ND2 2.99Å; N183-N186 PolarHBondContact O-N 2.77Å; W184-N186 VanDerWaalsContact C-N 3.35Å; W184-N186 PolarHBondContact O-N 2.81Å; N186-G189 PolarHBondContact O-N 3.4Å; N186-K190 VanDerWaalsContact O-CB 3.31Å; N186-K190 WeakPolarHBondContact O-CB 3.24Å; N186-K190 PolarHBondContact O-N 3.18Å
187	E	89.4	Confident	85.6	Confident	37 Å²	37	47.7 Å²	47.7	17%	0.173	27%	0.27	C	S	.	.	H	α-helix	trans	-66	-39.3	177.6	-73.9	-72.1	145.7	0	0	111.6	T148 I152 N183 W184 G189 K190 W191	T148-E187 HydrophobicContact CG2-CB 3.97Å; T148-E187 HydrophobicContact CG2-CG 4.16Å; I152-E187 HydrophobicContact CD1-CB 3.89Å; N183-E187 WeakPolarHBondContact O-CG 3.17Å; N183-E187 PolarHBondContact O-N 2.85Å; W184-E187 PolarHBondContact O-N 2.76Å; E187-G189 VanDerWaalsContact C-N 3.35Å; E187-G189 PolarHBondContact O-N 3.37Å; E187-K190 PolarHBondContact O-N 2.92Å; E187-K190 IonicContact OE1-NZ 2.88Å; E187-K190 IonicContact OE2-NZ 3.49Å; E187-W191 PolarHBondContact O-N 2.9Å; E187-W191 PolarHBondContact OE2-NE1 2.94Å
188	V	91.1	Very high	85.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59	-47.8	172.4	171.8	0	0	0	0	110.5	I152 W184 Y185 K190 W191 L192 I196 P198 I228	I152-V188 HydrophobicContact CD1-CG2 4.04Å; I152-V188 HydrophobicContact CG1-CG2 4.1Å; W184-V188 WeakPolarHBondContact O-CG2 3.32Å; W184-V188 PolarHBondContact O-N 2.82Å; Y185-V188 PolarHBondContact O-N 2.88Å; V188-K190 PolarHBondContact O-N 3.49Å; V188-W191 PolarHBondContact O-N 2.63Å; V188-L192 HydrophobicContact CG1-CD1 4.36Å; V188-L192 WeakPolarHBondContact O-CB 3.48Å; V188-L192 PolarHBondContact O-N 2.91Å; V188-I196 HydrophobicContact CG1-CG2 3.79Å; V188-P198 HydrophobicContact CB-CG 4.11Å; V188-P198 HydrophobicContact CG1-CB 4.09Å; V188-P198 HydrophobicContact CG1-CG 3.69Å; V188-I228 HydrophobicContact CG1-CD1 4.36Å
189	G	89.5	Confident	86.4	Confident	34 Å²	34	47.7 Å²	47.7	35%	0.351	27%	0.269	S	S	.	.	H	α-helix	trans	-63.4	-39.4	177.1	0	0	0	0	0	113.4	Y185 N186 E187 G193	Y185-G189 PolarHBondContact O-N 3.41Å; Y185-G189 VanDerWaalsContact O-N 3.14Å; N186-G189 PolarHBondContact O-N 3.4Å; E187-G189 VanDerWaalsContact C-N 3.35Å; E187-G189 PolarHBondContact O-N 3.37Å; G189-G193 WeakPolarHBondContact O-CA 3.42Å; G189-G193 PolarHBondContact O-N 3.1Å
190	K	87.1	Confident	87.2	Confident	130 Å²	130	47.5 Å²	47.5	57%	0.565	27%	0.269	S	S	*	.	H	α-helix	trans	-61.7	-45.8	178	175.1	-174.6	169.9	-170.3	0	112.3	N186 E187 V188	N186-K190 VanDerWaalsContact O-CB 3.31Å; N186-K190 WeakPolarHBondContact O-CB 3.24Å; N186-K190 PolarHBondContact O-N 3.18Å; E187-K190 PolarHBondContact O-N 2.92Å; E187-K190 IonicContact OE1-NZ 2.88Å; E187-K190 IonicContact OE2-NZ 3.49Å; V188-K190 PolarHBondContact O-N 3.49Å
191	W	90.4	Very high	87.5	Confident	47 Å²	47	47.3 Å²	47.3	18%	0.178	27%	0.268	C	S	.	.	H	α-helix	trans	-88.6	-34.7	-172.8	-65.3	118.4	0	0	0	114	L107 V110 L149 I152 E187 V188	L107-W191 HydrophobicContact CD2-CB 3.95Å; V110-W191 HydrophobicContact CB-CZ3 4.17Å; V110-W191 HydrophobicContact CG1-CH2 3.72Å; V110-W191 HydrophobicContact CG1-CZ3 3.55Å; V110-W191 HydrophobicContact CG2-CZ3 4.25Å; L149-W191 HydrophobicContact CD1-CB 4.47Å; L149-W191 HydrophobicContact CD1-CD2 3.68Å; L149-W191 HydrophobicContact CD1-CE3 4.22Å; L149-W191 HydrophobicContact CD1-CG 3.78Å; L149-W191 HydrophobicContact CD1-CZ2 4.36Å; L149-W191 HydrophobicContact CD2-CH2 4.35Å; L149-W191 HydrophobicContact CD2-CZ2 4.09Å; I152-W191 HydrophobicContact CG2-CB 4.45Å; E187-W191 PolarHBondContact O-N 2.9Å; E187-W191 PolarHBondContact OE2-NE1 2.94Å; V188-W191 PolarHBondContact O-N 2.63Å
192	L	88.9	Confident	86.9	Confident	6 Å²	6	48.9 Å²	48.9	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-104	-9.8	-176.6	-62.3	177.3	0	0	0	113.1	L107 I152 W156 V188 R195 I196	L107-L192 HydrophobicContact CD1-CD2 3.89Å; L107-L192 HydrophobicContact CD2-CD2 3.98Å; L107-L192 HydrophobicContact CG-CD2 4.21Å; I152-L192 HydrophobicContact CG2-CD1 3.81Å; I152-L192 HydrophobicContact CG2-CG 4.02Å; W156-L192 HydrophobicContact CB-CD1 4.26Å; W156-L192 HydrophobicContact CB-CD2 4.2Å; W156-L192 HydrophobicContact CD2-CD1 4.28Å; W156-L192 HydrophobicContact CD2-CD2 3.86Å; W156-L192 HydrophobicContact CE3-CD1 3.95Å; W156-L192 HydrophobicContact CE3-CD2 4.24Å; W156-L192 HydrophobicContact CG-CD1 4.43Å; W156-L192 HydrophobicContact CG-CD2 3.83Å; V188-L192 HydrophobicContact CG1-CD1 4.36Å; V188-L192 WeakPolarHBondContact O-CB 3.48Å; V188-L192 PolarHBondContact O-N 2.91Å; L192-R195 VanDerWaalsContact O-CB 3.23Å; L192-R195 WeakPolarHBondContact O-CB 3.46Å; L192-R195 WeakPolarHBondContact O-CD 3.33Å; L192-R195 WeakPolarHBondContact O-CG 3.5Å; L192-R195 PolarHBondContact O-N 2.7Å; L192-I196 HydrophobicContact CB-CG2 3.8Å; L192-I196 HydrophobicContact CD1-CG2 3.63Å; L192-I196 HydrophobicContact CG-CG2 4.37Å
193	G	86.1	Confident	86.4	Confident	39 Å²	39	46.7 Å²	46.7	40%	0.402	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	56.3	-145.1	-177.3	0	0	0	0	0	112	G189 R195	G189-G193 WeakPolarHBondContact O-CA 3.42Å; G189-G193 PolarHBondContact O-N 3.1Å; G193-R195 PolarHBondContact O-N 3.41Å; G193-R195 VanDerWaalsContact O-N 3.14Å
194	G	81.6	Confident	86.2	Confident	85 Å²	85	47.8 Å²	47.8	88%	0.876	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-75.4	12.1	177	0	0	0	0	0	115.6	I196	G194-I196 VanDerWaalsContact C-N 3.28Å; G194-I196 PolarHBondContact O-N 3.42Å
195	R	86.1	Confident	86	Confident	116 Å²	116	50 Å²	50	44%	0.438	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-74.8	-19.3	-178.5	-62.8	176.9	-179.2	-168.6	-1.2	113.3	D104 W156 R160 L192 G193	D104-R195 IonicContact OD1-NH1 3.79Å; D104-R195 PolarHBondContact OD1-NH1 2.94Å; D104-R195 IonicContact OD2-NH1 2.69Å; D104-R195 PolarHBondContact OD2-NH1 3.42Å; W156-R195 HydrophobicContact CH2-CB 3.86Å; W156-R195 HydrophobicContact CZ2-CB 4.49Å; W156-R195 HydrophobicContact CZ3-CB 4.43Å; R160-R195 PolarHBondContact NH2-O 2.91Å; L192-R195 VanDerWaalsContact O-CB 3.23Å; L192-R195 WeakPolarHBondContact O-CB 3.46Å; L192-R195 WeakPolarHBondContact O-CD 3.33Å; L192-R195 WeakPolarHBondContact O-CG 3.5Å; L192-R195 PolarHBondContact O-N 2.7Å; G193-R195 PolarHBondContact O-N 3.41Å; G193-R195 VanDerWaalsContact O-N 3.14Å
196	I	86.5	Confident	86	Confident	11 Å²	11	51.4 Å²	51.4	6%	0.056	33%	0.328	C	S	.	.			trans	-149.4	141.8	-177.5	-163.8	154.5	0	0	0	110	W156 L159 V188 L192 G194 P198 P227 I228	W156-I196 HydrophobicContact CE3-CD1 4.04Å; W156-I196 HydrophobicContact CZ3-CB 4.12Å; W156-I196 HydrophobicContact CZ3-CD1 3.95Å; L159-I196 HydrophobicContact CD1-CD1 3.75Å; V188-I196 HydrophobicContact CG1-CG2 3.79Å; L192-I196 HydrophobicContact CB-CG2 3.8Å; L192-I196 HydrophobicContact CD1-CG2 3.63Å; L192-I196 HydrophobicContact CG-CG2 4.37Å; G194-I196 VanDerWaalsContact C-N 3.28Å; G194-I196 PolarHBondContact O-N 3.42Å; I196-P198 WeakPolarHBondContact O-CD 3.36Å; I196-P227 HydrophobicContact CD1-CG 3.56Å; I196-P227 HydrophobicContact CG1-CG 3.69Å; I196-I228 HydrophobicContact CD1-CD1 3.45Å; I196-I228 VanDerWaalsContact CD1-CD1 3.45Å; I196-I228 HydrophobicContact CD1-CG1 3.93Å; I196-I228 HydrophobicContact CG1-CD1 4.09Å
197	S	86.9	Confident	86.1	Confident	69 Å²	69	52.6 Å²	52.6	48%	0.483	33%	0.331	S	S	.	.			trans	-108.9	101.6	176.8	-61.5	0	0	0	0	109.2	T226	S197-T226 WeakPolarHBondContact O-CA 3.15Å
198	P	91.8	Very high	86.1	Confident	15 Å²	15	54.6 Å²	54.6	10%	0.097	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	156.8	171.3	31.3	-34.1	0	0	0	111	Y185 V188 I196 I228 I230	Y185-P198 HydrophobicContact CD2-CB 4.18Å; Y185-P198 HydrophobicContact CD2-CG 3.72Å; Y185-P198 HydrophobicContact CE2-CB 4.42Å; Y185-P198 HydrophobicContact CE2-CG 3.74Å; Y185-P198 WeakPolarHBondContact CE2-O 3.41Å; Y185-P198 HydrophobicContact CG-CG 4.46Å; V188-P198 HydrophobicContact CB-CG 4.11Å; V188-P198 HydrophobicContact CG1-CB 4.09Å; V188-P198 HydrophobicContact CG1-CG 3.69Å; I196-P198 WeakPolarHBondContact O-CD 3.36Å; P198-I228 CarbonylContact C-O 3.58Å; P198-I228 WeakPolarHBondContact CA-O 3.49Å; P198-I228 HydrophobicContact CB-CB 4.19Å; P198-I228 HydrophobicContact CB-CG2 4.2Å; P198-I230 HydrophobicContact CB-CD1 4.13Å
199	V	91.7	Very high	86	Confident	31 Å²	31	55 Å²	55	19%	0.188	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.8	170.1	178.4	0	0	0	0	107.9	I201 T226 I228 L229 I230	V199-I201 HydrophobicContact CG1-CD1 4.45Å; V199-I201 HydrophobicContact CG1-CG1 4.05Å; V199-T226 HydrophobicContact CG2-CG2 3.66Å; V199-I228 PolarHBondContact N-O 3.32Å; V199-L229 HydrophobicContact CB-CD1 4.39Å; V199-L229 HydrophobicContact CG1-CD1 4.26Å; V199-L229 CarbonylContact O-C 3.53Å; V199-I230 PolarHBondContact O-N 2.96Å
200	A	89.9	Confident	86.1	Confident	36 Å²	36	55.4 Å²	55.4	30%	0.298	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.3	176.1	0	0	0	0	0	110.1	V181 Y185 I230	V181-A200 HydrophobicContact CG1-CB 3.93Å; Y185-A200 HydrophobicContact CD2-CB 3.65Å; Y185-A200 HydrophobicContact CE2-CB 4.47Å; Y185-A200 HydrophobicContact CG-CB 4.11Å; A200-I230 WeakPolarHBondContact CA-O 3.37Å
201	I	87.4	Confident	86.2	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.8	178.1	-56.1	-174.1	0	0	0	108.4	V199 I209 Q212 L213 L229 I230 I231 T235	V199-I201 HydrophobicContact CG1-CD1 4.45Å; V199-I201 HydrophobicContact CG1-CG1 4.05Å; I201-I209 HydrophobicContact CG2-CG1 4.08Å; I201-I209 HydrophobicContact CG2-CG2 3.95Å; I201-Q212 HydrophobicContact CD1-CB 3.91Å; I201-L213 HydrophobicContact CD1-CD2 3.62Å; I201-L213 HydrophobicContact CD1-CG 3.93Å; I201-L229 HydrophobicContact CD1-CD1 3.66Å; I201-L229 HydrophobicContact CG1-CD1 3.82Å; I201-I230 PolarHBondContact N-O 3.49Å; I201-I231 HydrophobicContact CB-CG1 4.44Å; I201-T235 HydrophobicContact CG2-CG2 3.98Å
202	D	73.3	Confident	86.2	Confident	33 Å²	33	57.9 Å²	57.9	18%	0.176	35%	0.353	C	S	.	.			trans	-147.8	84.3	-178	-178.8	36.1	0	0	0	109.4	S178 V181 R182 I507	S178-D202 WeakPolarHBondContact CB-OD1 3.37Å; S178-D202 PolarHBondContact OG-OD1 2.9Å; V181-D202 HydrophobicContact CB-CB 4.21Å; V181-D202 HydrophobicContact CG1-CB 3.94Å; R182-D202 IonicContact CZ-OD2 3.42Å; R182-D202 IonicContact NH1-OD2 2.87Å; R182-D202 PolarHBondContact NH1-OD2 3.05Å; D202-I507 WeakPolarHBondContact OD2-CD1 3.37Å
203	G	71.6	Confident	86.3	Confident	50 Å²	50	57.6 Å²	57.6	52%	0.515	35%	0.351	S	S	.	.	S	Bend	trans	75.8	163.6	-176.5	0	0	0	0	0	114.5
204	G	79.3	Confident	86.6	Confident	62 Å²	62	59.4 Å²	59.4	64%	0.639	35%	0.354	S	S	*	.			trans	146.9	178.4	-174	0	0	0	0	0	111.6
205	S	85.4	Confident	87	Confident	47 Å²	47	60.7 Å²	60.7	33%	0.329	34%	0.337	S	S	.	.			trans	-63.9	150.2	167.2	73.7	0	0	0	0	109.4	E207 D208 I209	S205-E207 PolarHBondContact O-N 3.09Å; S205-D208 PolarHBondContact O-N 3.43Å; S205-D208 VanDerWaalsContact OG-CB 3.23Å; S205-D208 WeakPolarHBondContact OG-CB 3.37Å; S205-D208 PolarHBondContact OG-N 2.73Å; S205-D208 VanDerWaalsContact OG-N 3.15Å; S205-D208 PolarHBondContact OG-OD2 3.47Å; S205-I209 WeakPolarHBondContact O-CG1 3.47Å; S205-I209 PolarHBondContact O-N 2.93Å
206	K	86.4	Confident	87.3	Confident	133 Å²	133	55.3 Å²	55.3	58%	0.578	32%	0.317	S	S	*	.	H	α-helix	trans	-59.8	-41.7	-179.1	-169.5	-176.1	177.2	179.7	0	110.4	I209 D210	K206-I209 PolarHBondContact O-N 3.48Å; K206-D210 PolarHBondContact O-N 3.35Å
207	E	87.4	Confident	87.4	Confident	119 Å²	119	55.7 Å²	55.7	56%	0.556	32%	0.319	S	S	*	.	H	α-helix	trans	-66.4	-38.8	-177.7	-59.8	75.6	-160.4	0	0	112.4	S205 K211	S205-E207 PolarHBondContact O-N 3.09Å; E207-K211 VanDerWaalsContact O-CG 3.24Å; E207-K211 WeakPolarHBondContact O-CG 3.44Å; E207-K211 PolarHBondContact O-N 3.46Å
208	D	89.3	Confident	87.4	Confident	79 Å²	79	55.6 Å²	55.6	42%	0.422	32%	0.318	S	S	.	.	H	α-helix	trans	-72.1	-37.1	-180	-65.9	-32.3	0	0	0	111.8	S205 K211 Q212	S205-D208 PolarHBondContact O-N 3.43Å; S205-D208 VanDerWaalsContact OG-CB 3.23Å; S205-D208 WeakPolarHBondContact OG-CB 3.37Å; S205-D208 PolarHBondContact OG-N 2.73Å; S205-D208 VanDerWaalsContact OG-N 3.15Å; S205-D208 PolarHBondContact OG-OD2 3.47Å; D208-K211 PolarHBondContact O-N 3.11Å; D208-K211 IonicContact OD1-NZ 3.29Å; D208-Q212 WeakPolarHBondContact O-CG 3.43Å; D208-Q212 PolarHBondContact O-N 3.12Å; D208-Q212 VanDerWaalsContact O-N 3.1Å
209	I	90.3	Very high	87.1	Confident	9 Å²	9	56 Å²	56	5%	0.046	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-48.5	174.6	-67.2	167.4	0	0	0	109.8	I201 S205 K206 K211 Q212 L213 T235	I201-I209 HydrophobicContact CG2-CG1 4.08Å; I201-I209 HydrophobicContact CG2-CG2 3.95Å; S205-I209 WeakPolarHBondContact O-CG1 3.47Å; S205-I209 PolarHBondContact O-N 2.93Å; K206-I209 PolarHBondContact O-N 3.48Å; I209-K211 VanDerWaalsContact C-N 3.33Å; I209-K211 PolarHBondContact O-N 2.94Å; I209-Q212 PolarHBondContact O-N 3.18Å; I209-L213 HydrophobicContact CG2-CD1 3.81Å; I209-L213 HydrophobicContact CG2-CG 4.27Å; I209-L213 WeakPolarHBondContact O-CG 3.35Å; I209-L213 PolarHBondContact O-N 2.66Å; I209-T235 HydrophobicContact CD1-CG2 4.01Å; I209-T235 HydrophobicContact CG2-CG2 3.87Å
210	D	89.9	Confident	86.3	Confident	43 Å²	43	61.7 Å²	61.7	23%	0.23	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-42.5	179	-80.3	-25.9	0	0	0	111.8	K206 Q212 L213 V214 H239 V242	K206-D210 PolarHBondContact O-N 3.35Å; D210-Q212 PolarHBondContact O-N 2.9Å; D210-L213 PolarHBondContact O-N 2.77Å; D210-V214 WeakPolarHBondContact O-CB 3.49Å; D210-V214 VanDerWaalsContact O-CG2 3.23Å; D210-V214 WeakPolarHBondContact O-CG2 3.47Å; D210-V214 PolarHBondContact O-N 2.87Å; D210-H239 IonicContact OD1-CE1 3.88Å; D210-H239 IonicContact OD1-CG 2.67Å; D210-H239 IonicContact OD1-ND1 3.39Å; D210-H239 PolarHBondContact OD1-ND1 3.5Å; D210-H239 IonicContact OD2-ND1 3.06Å; D210-V242 WeakPolarHBondContact OD1-CG2 3.26Å
211	K	90.4	Very high	85.4	Confident	137 Å²	137	62.1 Å²	62.1	60%	0.596	35%	0.351	S	S	*	.	H	α-helix	trans	-58.5	-44.9	174.8	-75	168.9	-170.5	167	0	112.3	E207 D208 I209 H215	E207-K211 VanDerWaalsContact O-CG 3.24Å; E207-K211 WeakPolarHBondContact O-CG 3.44Å; E207-K211 PolarHBondContact O-N 3.46Å; D208-K211 PolarHBondContact O-N 3.11Å; D208-K211 IonicContact OD1-NZ 3.29Å; I209-K211 VanDerWaalsContact C-N 3.33Å; I209-K211 PolarHBondContact O-N 2.94Å; K211-H215 WeakPolarHBondContact O-CB 3.33Å; K211-H215 PolarHBondContact O-N 2.8Å
212	Q	90.5	Very high	84.2	Confident	91 Å²	91	69.8 Å²	69.8	43%	0.425	39%	0.392	S	S	.	.	H	α-helix	trans	-65.9	-40.7	178.7	-71.2	178.8	34.1	0	0	112.1	I201 D208 I209 D210 H215 F216	I201-Q212 HydrophobicContact CD1-CB 3.91Å; D208-Q212 WeakPolarHBondContact O-CG 3.43Å; D208-Q212 PolarHBondContact O-N 3.12Å; D208-Q212 VanDerWaalsContact O-N 3.1Å; I209-Q212 PolarHBondContact O-N 3.18Å; D210-Q212 PolarHBondContact O-N 2.9Å; Q212-H215 PolarHBondContact O-N 3.32Å; Q212-F216 WeakPolarHBondContact O-CB 3.42Å; Q212-F216 PolarHBondContact O-N 2.72Å
213	L	91.7	Very high	84	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-67.3	-44.2	177.6	-70.6	176.9	0	0	0	112	I201 I209 D210 H215 F216 I217 L229 I231 H239 V242 L243	I201-L213 HydrophobicContact CD1-CD2 3.62Å; I201-L213 HydrophobicContact CD1-CG 3.93Å; I209-L213 HydrophobicContact CG2-CD1 3.81Å; I209-L213 HydrophobicContact CG2-CG 4.27Å; I209-L213 WeakPolarHBondContact O-CG 3.35Å; I209-L213 PolarHBondContact O-N 2.66Å; D210-L213 PolarHBondContact O-N 2.77Å; L213-H215 VanDerWaalsContact C-N 3.31Å; L213-H215 PolarHBondContact O-N 2.7Å; L213-F216 PolarHBondContact O-N 3.08Å; L213-I217 VanDerWaalsContact O-CG1 3.28Å; L213-I217 WeakPolarHBondContact O-CG1 3.48Å; L213-I217 PolarHBondContact O-N 3.42Å; L213-L229 HydrophobicContact CD2-CD1 4.35Å; L213-L229 HydrophobicContact CD2-CD2 3.63Å; L213-I231 HydrophobicContact CD2-CD1 4.22Å; L213-H239 HydrophobicContact CD1-CB 3.45Å; L213-H239 VanDerWaalsContact CD1-CB 3.45Å; L213-V242 HydrophobicContact CB-CB 4.46Å; L213-V242 HydrophobicContact CB-CG1 3.76Å; L213-L243 HydrophobicContact CD2-CD1 4.46Å; L213-L243 HydrophobicContact CD2-CD2 3.95Å; L213-L243 HydrophobicContact CD2-CG 4.34Å
214	V	91.4	Very high	84.4	Confident	77 Å²	77	76.6 Å²	76.6	47%	0.467	41%	0.407	S	S	.	.	H	α-helix	trans	-60.8	-43.3	174.6	171.4	0	0	0	0	110.3	D210 I217 S218 V242	D210-V214 WeakPolarHBondContact O-CB 3.49Å; D210-V214 VanDerWaalsContact O-CG2 3.23Å; D210-V214 WeakPolarHBondContact O-CG2 3.47Å; D210-V214 PolarHBondContact O-N 2.87Å; V214-I217 PolarHBondContact O-N 2.97Å; V214-S218 VanDerWaalsContact O-CB 3.3Å; V214-S218 WeakPolarHBondContact O-CB 3.44Å; V214-S218 PolarHBondContact O-N 3.44Å; V214-S218 PolarHBondContact O-OG 3.04Å; V214-V242 HydrophobicContact CG2-CG1 3.71Å
215	H	90.6	Very high	84.6	Confident	112 Å²	112	77.1 Å²	77.1	52%	0.519	41%	0.406	S	S	.	.	H	α-helix	trans	-59.5	-47.5	174.5	-175.1	69.8	0	0	0	111.8	K211 Q212 L213 I217 S218 Q219	K211-H215 WeakPolarHBondContact O-CB 3.33Å; K211-H215 PolarHBondContact O-N 2.8Å; Q212-H215 PolarHBondContact O-N 3.32Å; L213-H215 VanDerWaalsContact C-N 3.31Å; L213-H215 PolarHBondContact O-N 2.7Å; H215-I217 VanDerWaalsContact C-N 3.35Å; H215-I217 PolarHBondContact O-N 3.13Å; H215-S218 WeakPolarHBondContact CA-OG 3.42Å; H215-S218 PolarHBondContact O-OG 3.48Å; H215-S218 VanDerWaalsContact O-OG 3.05Å; H215-Q219 PolarHBondContact CD2-NE2 3.45Å; H215-Q219 PolarHBondContact NE2-NE2 3.49Å; H215-Q219 WeakPolarHBondContact O-CG 3.33Å; H215-Q219 PolarHBondContact O-N 3.43Å
216	F	91.2	Very high	84.6	Confident	3 Å²	3	76 Å²	76	1%	0.013	40%	0.397	C	S	.	.	H	α-helix	trans	-58.6	-43.6	176.4	174.5	-102.6	0	0	0	112.5	K171 I173 Q212 L213 T226 L229	K171-F216 HydrophobicContact CB-CZ 3.95Å; K171-F216 HydrophobicContact CD-CE1 4.17Å; K171-F216 HydrophobicContact CD-CE2 4.43Å; K171-F216 HydrophobicContact CD-CZ 4.05Å; K171-F216 WeakPolarHBondContact CE-O 3.41Å; K171-F216 HydrophobicContact CG-CZ 4.25Å; K171-F216 PolarHBondContact NZ-O 3.19Å; I173-F216 HydrophobicContact CD1-CE1 4.21Å; I173-F216 HydrophobicContact CG1-CE1 4.03Å; I173-F216 HydrophobicContact CG1-CZ 4.27Å; Q212-F216 WeakPolarHBondContact O-CB 3.42Å; Q212-F216 PolarHBondContact O-N 2.72Å; L213-F216 PolarHBondContact O-N 3.08Å; F216-T226 VanDerWaalsContact CD2-O 3.28Å; F216-T226 WeakPolarHBondContact CD2-O 3.4Å; F216-T226 VanDerWaalsContact CE2-O 3.24Å; F216-T226 WeakPolarHBondContact CE2-O 3.34Å; F216-L229 HydrophobicContact CD1-CB 4.13Å; F216-L229 HydrophobicContact CD1-CD2 3.89Å; F216-L229 HydrophobicContact CD2-CB 4.01Å; F216-L229 HydrophobicContact CE1-CB 3.76Å; F216-L229 HydrophobicContact CE1-CD2 3.94Å; F216-L229 HydrophobicContact CE1-CG 4.5Å; F216-L229 HydrophobicContact CE2-CB 3.62Å; F216-L229 HydrophobicContact CG-CB 4.25Å; F216-L229 HydrophobicContact CG-CD2 4.44Å; F216-L229 HydrophobicContact CZ-CB 3.48Å; F216-L229 VanDerWaalsContact CZ-CB 3.48Å
217	I	89.1	Confident	84.8	Confident	20 Å²	20	69.8 Å²	69.8	10%	0.103	37%	0.37	C	S	.	.	H	α-helix	trans	-74.3	-37	-176.6	-66.3	171.7	0	0	0	112.8	K171 L213 V214 H215 Q219 H220 V242 L243 G246	K171-I217 PolarHBondContact NZ-O 3.45Å; L213-I217 VanDerWaalsContact O-CG1 3.28Å; L213-I217 WeakPolarHBondContact O-CG1 3.48Å; L213-I217 PolarHBondContact O-N 3.42Å; V214-I217 PolarHBondContact O-N 2.97Å; H215-I217 VanDerWaalsContact C-N 3.35Å; H215-I217 PolarHBondContact O-N 3.13Å; I217-Q219 VanDerWaalsContact C-N 3.26Å; I217-Q219 PolarHBondContact O-N 2.93Å; I217-H220 PolarHBondContact O-NE2 3.06Å; I217-V242 VanDerWaalsContact CD1-C 3.45Å; I217-V242 HydrophobicContact CD1-CG1 3.76Å; I217-V242 WeakPolarHBondContact CD1-O 3.17Å; I217-L243 HydrophobicContact CD1-CD2 4.05Å; I217-L243 HydrophobicContact CG1-CD2 4.37Å; I217-G246 VanDerWaalsContact CG2-CA 3.5Å
218	S	87.5	Confident	85.2	Confident	67 Å²	67	64.2 Å²	64.2	47%	0.469	34%	0.344	S	S	.	.	H	α-helix	trans	-71.7	-15.4	-179.2	54.5	0	0	0	0	114.2	V214 H215 H220	V214-S218 VanDerWaalsContact O-CB 3.3Å; V214-S218 WeakPolarHBondContact O-CB 3.44Å; V214-S218 PolarHBondContact O-N 3.44Å; V214-S218 PolarHBondContact O-OG 3.04Å; H215-S218 WeakPolarHBondContact CA-OG 3.42Å; H215-S218 PolarHBondContact O-OG 3.48Å; H215-S218 VanDerWaalsContact O-OG 3.05Å; S218-H220 PolarHBondContact O-CD2 2.9Å; S218-H220 PolarHBondContact O-N 3.49Å
219	Q	84.3	Confident	85.5	Confident	24 Å²	24	60.4 Å²	60.4	11%	0.112	32%	0.324	C	S	.	.			trans	-67.5	120.2	176.3	-72	174	5.2	0	0	111.4	K171 H215 I217 V224 T226	K171-Q219 WeakPolarHBondContact CE-O 3.11Å; K171-Q219 PolarHBondContact NZ-O 2.97Å; H215-Q219 PolarHBondContact CD2-NE2 3.45Å; H215-Q219 PolarHBondContact NE2-NE2 3.49Å; H215-Q219 WeakPolarHBondContact O-CG 3.33Å; H215-Q219 PolarHBondContact O-N 3.43Å; I217-Q219 VanDerWaalsContact C-N 3.26Å; I217-Q219 PolarHBondContact O-N 2.93Å; Q219-V224 HydrophobicContact CB-CG1 4.03Å; Q219-T226 VanDerWaalsContact CD-OG1 3.29Å; Q219-T226 PolarHBondContact NE2-OG1 3.16Å; Q219-T226 PolarHBondContact OE1-O 3.19Å; Q219-T226 PolarHBondContact OE1-OG1 2.92Å
220	H	76.2	Confident	85.7	Confident	149 Å²	149	60 Å²	60	69%	0.69	32%	0.322	S	S	*	.			trans	-134	157.8	176.1	-61.8	-71	0	0	0	110.8	I217 S218	I217-H220 PolarHBondContact O-NE2 3.06Å; S218-H220 PolarHBondContact O-CD2 2.9Å; S218-H220 PolarHBondContact O-N 3.49Å
221	G	69.4	Low	85.9	Confident	46 Å²	46	58 Å²	58	47%	0.474	31%	0.311	S	S	.	.	S	Bend	trans	116.2	-176.4	176.8	0	0	0	0	0	114.4	K223	G221-K223 VanDerWaalsContact C-N 3.32Å; G221-K223 PolarHBondContact O-N 3.16Å
222	L	64.1	Low	85.9	Confident	165 Å²	165	51.4 Å²	51.4	86%	0.864	28%	0.282	S	S	*	.	S	Bend	trans	-70.7	-23	-174.6	-73.3	161.3	0	0	0	113.8
223	K	68.5	Low	85.9	Confident	200 Å²	200	47.4 Å²	47.4	87%	0.87	26%	0.264	S	S	*	.			trans	-126.1	86.9	177.7	-72.6	-173.6	179.4	-179.5	0	110.3	G221	G221-K223 VanDerWaalsContact C-N 3.32Å; G221-K223 PolarHBondContact O-N 3.16Å
224	V	80.5	Confident	85.7	Confident	25 Å²	25	51.3 Å²	51.3	15%	0.152	28%	0.282	C	S	.	.			trans	-74.6	121.8	169.3	-177.1	0	0	0	0	108.1	Q219 P227	Q219-V224 HydrophobicContact CB-CG1 4.03Å; V224-P227 HydrophobicContact CB-CB 4.2Å; V224-P227 HydrophobicContact CG1-CB 4.02Å
225	A	81.7	Confident	85.6	Confident	73 Å²	73	48.2 Å²	48.2	60%	0.603	26%	0.263	S	S	*	.	S	Bend	trans	-65.6	-41.4	-177.9	0	0	0	0	0	111.7
226	T	86.5	Confident	85.7	Confident	23 Å²	23	42.9 Å²	42.9	14%	0.141	24%	0.238	C	C	.	.			trans	-127.3	80.7	-178.9	52.6	0	0	0	0	110.8	S197 V199 F216 Q219	S197-T226 WeakPolarHBondContact O-CA 3.15Å; V199-T226 HydrophobicContact CG2-CG2 3.66Å; F216-T226 VanDerWaalsContact CD2-O 3.28Å; F216-T226 WeakPolarHBondContact CD2-O 3.4Å; F216-T226 VanDerWaalsContact CE2-O 3.24Å; F216-T226 WeakPolarHBondContact CE2-O 3.34Å; Q219-T226 VanDerWaalsContact CD-OG1 3.29Å; Q219-T226 PolarHBondContact NE2-OG1 3.16Å; Q219-T226 PolarHBondContact OE1-O 3.19Å; Q219-T226 PolarHBondContact OE1-OG1 2.92Å
227	P	91.1	Very high	85.7	Confident	4 Å²	4	47.2 Å²	47.2	3%	0.026	26%	0.255	C	S	.	.			trans	-82.1	-10.5	-173.9	32.3	-37	0	0	0	114.5	L159 N170 K171 A172 I196 V224	L159-P227 HydrophobicContact CD1-CB 4.38Å; L159-P227 HydrophobicContact CD1-CG 4.4Å; L159-P227 HydrophobicContact CD2-CB 3.83Å; N170-P227 WeakPolarHBondContact O-CB 3.45Å; K171-P227 CarbonylContact C-O 3.6Å; K171-P227 VanDerWaalsContact CA-O 3.29Å; K171-P227 WeakPolarHBondContact CA-O 3.43Å; A172-P227 PolarHBondContact N-O 2.98Å; I196-P227 HydrophobicContact CD1-CG 3.56Å; I196-P227 HydrophobicContact CG1-CG 3.69Å; V224-P227 HydrophobicContact CB-CB 4.2Å; V224-P227 HydrophobicContact CG1-CB 4.02Å
228	I	94.5	Very high	85.7	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121	-178.9	-60.9	173.2	0	0	0	109.1	L159 V188 I196 P198 V199 I230	L159-I228 HydrophobicContact CD1-CD1 4.07Å; L159-I228 HydrophobicContact CD1-CG1 3.86Å; V188-I228 HydrophobicContact CG1-CD1 4.36Å; I196-I228 HydrophobicContact CD1-CD1 3.45Å; I196-I228 VanDerWaalsContact CD1-CD1 3.45Å; I196-I228 HydrophobicContact CD1-CG1 3.93Å; I196-I228 HydrophobicContact CG1-CD1 4.09Å; P198-I228 CarbonylContact C-O 3.58Å; P198-I228 WeakPolarHBondContact CA-O 3.49Å; P198-I228 HydrophobicContact CB-CB 4.19Å; P198-I228 HydrophobicContact CB-CG2 4.2Å; V199-I228 PolarHBondContact N-O 3.32Å; I228-I230 HydrophobicContact CG2-CG1 4.08Å
229	L	95.1	Very high	85.9	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.6	169.1	171.6	66	0	0	0	109.4	A172 I173 V174 V199 I201 L213 F216 I231 L243	A172-L229 PolarHBondContact O-N 3.15Å; I173-L229 CarbonylContact C-O 3.53Å; I173-L229 WeakPolarHBondContact CA-O 3.29Å; I173-L229 HydrophobicContact CD1-CD2 4.15Å; I173-L229 HydrophobicContact CG1-CB 4.24Å; I173-L229 HydrophobicContact CG1-CD2 4.18Å; I173-L229 HydrophobicContact CG2-CD2 4.44Å; V174-L229 PolarHBondContact N-O 3.39Å; V199-L229 HydrophobicContact CB-CD1 4.39Å; V199-L229 HydrophobicContact CG1-CD1 4.26Å; V199-L229 CarbonylContact O-C 3.53Å; I201-L229 HydrophobicContact CD1-CD1 3.66Å; I201-L229 HydrophobicContact CG1-CD1 3.82Å; L213-L229 HydrophobicContact CD2-CD1 4.35Å; L213-L229 HydrophobicContact CD2-CD2 3.63Å; F216-L229 HydrophobicContact CD1-CB 4.13Å; F216-L229 HydrophobicContact CD1-CD2 3.89Å; F216-L229 HydrophobicContact CD2-CB 4.01Å; F216-L229 HydrophobicContact CE1-CB 3.76Å; F216-L229 HydrophobicContact CE1-CD2 3.94Å; F216-L229 HydrophobicContact CE1-CG 4.5Å; F216-L229 HydrophobicContact CE2-CB 3.62Å; F216-L229 HydrophobicContact CG-CB 4.25Å; F216-L229 HydrophobicContact CG-CD2 4.44Å; F216-L229 HydrophobicContact CZ-CB 3.48Å; F216-L229 VanDerWaalsContact CZ-CB 3.48Å; L229-I231 HydrophobicContact CG-CB 4.43Å; L229-L243 HydrophobicContact CD2-CD2 3.97Å
230	I	95.4	Very high	86.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.3	174.2	-50.8	165.6	0	0	0	107	V174 V181 W184 P198 V199 A200 I201 I228	V174-I230 HydrophobicContact CB-CG1 4.29Å; V174-I230 HydrophobicContact CB-CG2 4.33Å; V174-I230 HydrophobicContact CG1-CG2 4.47Å; V174-I230 WeakPolarHBondContact O-CA 3.42Å; V181-I230 HydrophobicContact CB-CG2 4.3Å; V181-I230 HydrophobicContact CG1-CB 4.42Å; V181-I230 HydrophobicContact CG1-CG2 3.88Å; W184-I230 HydrophobicContact CB-CD1 3.94Å; W184-I230 HydrophobicContact CB-CG2 3.8Å; W184-I230 HydrophobicContact CG-CG2 4.5Å; P198-I230 HydrophobicContact CB-CD1 4.13Å; V199-I230 PolarHBondContact O-N 2.96Å; A200-I230 WeakPolarHBondContact CA-O 3.37Å; I201-I230 PolarHBondContact N-O 3.49Å; I228-I230 HydrophobicContact CG2-CG1 4.08Å
231	I	94	Very high	86.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.8	-171.7	-171.4	166.3	0	0	0	110.7	I173 V174 V175 S176 I201 L213 L229 T235 F236 L243	I173-I231 HydrophobicContact CG2-CG2 3.92Å; V174-I231 PolarHBondContact O-N 2.86Å; V175-I231 WeakPolarHBondContact CA-O 3.12Å; V175-I231 HydrophobicContact CG2-CG2 4.07Å; S176-I231 PolarHBondContact N-O 3.33Å; I201-I231 HydrophobicContact CB-CG1 4.44Å; L213-I231 HydrophobicContact CD2-CD1 4.22Å; L229-I231 HydrophobicContact CG-CB 4.43Å; I231-T235 HydrophobicContact CD1-CG2 4.06Å; I231-T235 HydrophobicContact CG1-CG2 4.19Å; I231-F236 HydrophobicContact CD1-CB 4.1Å; I231-F236 HydrophobicContact CG1-CB 4.2Å; I231-F236 HydrophobicContact CG2-CB 4.1Å; I231-F236 HydrophobicContact CG2-CD2 4.01Å; I231-L243 HydrophobicContact CD1-CD1 4.41Å
232	S	91.4	Very high	87.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	154.5	173.8	69.1	0	0	0	0	111.8	S176 S178 E234 T235 F236	S176-S232 CarbonylContact O-C 3.2Å; S176-S232 WeakPolarHBondContact O-CA 3.46Å; S178-S232 WeakPolarHBondContact OG-CB 3.22Å; S232-E234 PolarHBondContact O-N 3.16Å; S232-T235 PolarHBondContact O-N 2.88Å; S232-T235 WeakPolarHBondContact OG-CB 3.38Å; S232-T235 PolarHBondContact OG-N 3Å; S232-T235 PolarHBondContact OG-OG1 3.47Å; S232-F236 WeakPolarHBondContact O-CB 3.32Å; S232-F236 PolarHBondContact O-N 3.21Å
233	Y	89.5	Confident	88.9	Confident	7 Å²	7	37.4 Å²	37.4	3%	0.027	19%	0.193	C	C	.	.	H	α-helix	trans	-57.4	-40.3	173	-79.9	-72.1	0	0	0	112.4	V175 S176 P177 R237 D254 L259 T266 L270	V175-Y233 HydrophobicContact CB-CD1 4.49Å; V175-Y233 HydrophobicContact CB-CE1 4.25Å; V175-Y233 HydrophobicContact CG1-CD1 3.34Å; V175-Y233 HydrophobicContact CG1-CD2 4.34Å; V175-Y233 HydrophobicContact CG1-CE1 3.54Å; V175-Y233 HydrophobicContact CG1-CE2 4.48Å; V175-Y233 HydrophobicContact CG1-CG 3.8Å; S176-Y233 WeakPolarHBondContact O-CD2 3.3Å; S176-Y233 PolarHBondContact O-N 3.45Å; P177-Y233 HydrophobicContact CG-CE2 4.5Å; Y233-R237 WeakPolarHBondContact O-CB 3.28Å; Y233-R237 PolarHBondContact O-N 2.98Å; Y233-D254 WeakPolarHBondContact CE2-O 3.37Å; Y233-D254 VanDerWaalsContact CZ-O 3.29Å; Y233-D254 PolarHBondContact OH-O 3.26Å; Y233-L259 HydrophobicContact CE1-CD1 4.49Å; Y233-L259 HydrophobicContact CE1-CD2 4.08Å; Y233-L259 HydrophobicContact CE1-CG 4.43Å; Y233-T266 HydrophobicContact CD1-CG2 3.49Å; Y233-T266 VanDerWaalsContact CD1-CG2 3.49Å; Y233-T266 HydrophobicContact CE1-CG2 4.24Å; Y233-T266 HydrophobicContact CG-CG2 4.32Å; Y233-L270 HydrophobicContact CD1-CD1 4.42Å; Y233-L270 HydrophobicContact CE1-CD1 4.08Å
234	E	87.6	Confident	90	Very high	81 Å²	81	30.8 Å²	30.8	38%	0.379	17%	0.165	S	C	.	.	H	α-helix	trans	-68.1	-47.3	-177.5	-63.2	78.1	-174.4	0	0	110.9	S232 R237 L238 R258	S232-E234 PolarHBondContact O-N 3.16Å; E234-R237 PolarHBondContact O-N 3.36Å; E234-L238 WeakPolarHBondContact O-CG 3.44Å; E234-L238 PolarHBondContact O-N 3.02Å; E234-R258 IonicContact OE1-NH1 2.7Å
235	T	90.3	Very high	90.3	Very high	13 Å²	13	39.3 Å²	39.3	8%	0.08	20%	0.195	C	C	.	.	H	α-helix	trans	-70.4	-38.2	177.5	-56	0	0	0	0	111.5	I201 I209 I231 S232 R237 L238 H239	I201-T235 HydrophobicContact CG2-CG2 3.98Å; I209-T235 HydrophobicContact CD1-CG2 4.01Å; I209-T235 HydrophobicContact CG2-CG2 3.87Å; I231-T235 HydrophobicContact CD1-CG2 4.06Å; I231-T235 HydrophobicContact CG1-CG2 4.19Å; S232-T235 PolarHBondContact O-N 2.88Å; S232-T235 WeakPolarHBondContact OG-CB 3.38Å; S232-T235 PolarHBondContact OG-N 3Å; S232-T235 PolarHBondContact OG-OG1 3.47Å; T235-R237 VanDerWaalsContact C-N 3.33Å; T235-R237 PolarHBondContact O-N 3.41Å; T235-L238 PolarHBondContact O-N 3.05Å; T235-H239 PolarHBondContact O-CD2 3Å; T235-H239 VanDerWaalsContact O-CD2 3.32Å; T235-H239 PolarHBondContact O-N 2.88Å
236	F	92.4	Very high	90.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.2	-47.8	175	178	-85	0	0	0	111.2	V175 I231 S232 L238 H239 A240 L243 A269 L270 M273	V175-F236 HydrophobicContact CG1-CB 4.28Å; V175-F236 HydrophobicContact CG1-CG 4.47Å; V175-F236 HydrophobicContact CG2-CD2 4.01Å; V175-F236 HydrophobicContact CG2-CE2 4.39Å; V175-F236 HydrophobicContact CG2-CG 4.4Å; I231-F236 HydrophobicContact CD1-CB 4.1Å; I231-F236 HydrophobicContact CG1-CB 4.2Å; I231-F236 HydrophobicContact CG2-CB 4.1Å; I231-F236 HydrophobicContact CG2-CD2 4.01Å; S232-F236 WeakPolarHBondContact O-CB 3.32Å; S232-F236 PolarHBondContact O-N 3.21Å; F236-L238 PolarHBondContact O-N 3.05Å; F236-H239 CarbonylContact O-C 3.6Å; F236-H239 PolarHBondContact O-N 3.11Å; F236-A240 WeakPolarHBondContact O-CA 3.5Å; F236-A240 PolarHBondContact O-N 2.96Å; F236-L243 HydrophobicContact CD2-CD1 3.4Å; F236-L243 HydrophobicContact CE2-CD1 3.42Å; F236-L243 VanDerWaalsContact CE2-CD1 3.42Å; F236-L243 HydrophobicContact CG-CD1 4.34Å; F236-L243 HydrophobicContact CZ-CD1 4.34Å; F236-A269 HydrophobicContact CD1-CB 4.41Å; F236-A269 HydrophobicContact CE1-CB 3.94Å; F236-L270 HydrophobicContact CD1-CD2 3.84Å; F236-L270 HydrophobicContact CD1-CG 4.08Å; F236-L270 HydrophobicContact CD2-CD2 4.42Å; F236-L270 HydrophobicContact CE1-CB 4.34Å; F236-L270 HydrophobicContact CE1-CD2 3.36Å; F236-L270 HydrophobicContact CE1-CG 3.61Å; F236-L270 HydrophobicContact CE2-CD2 3.98Å; F236-L270 HydrophobicContact CG-CD2 4.37Å; F236-L270 HydrophobicContact CZ-CD2 3.46Å; F236-L270 VanDerWaalsContact CZ-CD2 3.46Å; F236-L270 HydrophobicContact CZ-CG 4.16Å; F236-M273 HydrophobicContact CE2-CE 3.89Å; F236-M273 HydrophobicContact CE2-SD 3.85Å; F236-M273 HydrophobicContact CZ-CB 4.49Å; F236-M273 HydrophobicContact CZ-CE 3.72Å; F236-M273 HydrophobicContact CZ-SD 3.94Å
237	R	90.6	Very high	90.5	Very high	94 Å²	94	43.5 Å²	43.5	36%	0.355	20%	0.199	S	C	.	.	H	α-helix	trans	-59.4	-45.4	179.5	-179.9	-173.3	65.1	-177.3	0.3	111.9	Y233 E234 T235 H239 Q265	Y233-R237 WeakPolarHBondContact O-CB 3.28Å; Y233-R237 PolarHBondContact O-N 2.98Å; E234-R237 PolarHBondContact O-N 3.36Å; T235-R237 VanDerWaalsContact C-N 3.33Å; T235-R237 PolarHBondContact O-N 3.41Å; R237-H239 VanDerWaalsContact C-N 3.26Å; R237-H239 PolarHBondContact O-N 3Å; R237-Q265 HydrophobicContact CG-CB 4.31Å
238	L	89.9	Confident	90.5	Very high	113 Å²	113	43.7 Å²	43.7	59%	0.592	20%	0.201	S	C	*	.	H	α-helix	trans	-69.2	-23.4	-176.5	-69	172.5	0	0	0	113.6	E234 T235 F236	E234-L238 WeakPolarHBondContact O-CG 3.44Å; E234-L238 PolarHBondContact O-N 3.02Å; T235-L238 PolarHBondContact O-N 3.05Å; F236-L238 PolarHBondContact O-N 3.05Å
239	H	90.8	Very high	90.4	Very high	12 Å²	12	44.4 Å²	44.4	6%	0.056	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	21.6	-174.7	-63	-92.5	0	0	0	112.8	D210 L213 T235 F236 R237 D241 V242	D210-H239 IonicContact OD1-CE1 3.88Å; D210-H239 IonicContact OD1-CG 2.67Å; D210-H239 IonicContact OD1-ND1 3.39Å; D210-H239 PolarHBondContact OD1-ND1 3.5Å; D210-H239 IonicContact OD2-ND1 3.06Å; L213-H239 HydrophobicContact CD1-CB 3.45Å; L213-H239 VanDerWaalsContact CD1-CB 3.45Å; T235-H239 PolarHBondContact O-CD2 3Å; T235-H239 VanDerWaalsContact O-CD2 3.32Å; T235-H239 PolarHBondContact O-N 2.88Å; F236-H239 CarbonylContact O-C 3.6Å; F236-H239 PolarHBondContact O-N 3.11Å; R237-H239 VanDerWaalsContact C-N 3.26Å; R237-H239 PolarHBondContact O-N 3Å; H239-D241 PolarHBondContact O-N 3.24Å; H239-V242 PolarHBondContact O-N 2.87Å
240	A	89.7	Confident	90.4	Very high	6 Å²	6	44.4 Å²	44.4	5%	0.05	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-35.2	-176.6	0	0	0	0	0	112.1	F236 V242 L243 H244 A269	F236-A240 WeakPolarHBondContact O-CA 3.5Å; F236-A240 PolarHBondContact O-N 2.96Å; A240-V242 PolarHBondContact O-N 3.3Å; A240-L243 CarbonylContact O-C 3.58Å; A240-L243 WeakPolarHBondContact O-CA 3.08Å; A240-L243 WeakPolarHBondContact O-CB 3.28Å; A240-L243 PolarHBondContact O-N 3.13Å; A240-H244 PolarHBondContact O-CD2 3.34Å; A240-H244 VanDerWaalsContact O-CD2 3.31Å; A240-H244 VanDerWaalsContact O-CG 3.25Å; A240-H244 PolarHBondContact O-N 2.99Å; A240-A269 HydrophobicContact CB-CB 3.88Å
241	D	90	Very high	90.5	Very high	116 Å²	116	44.4 Å²	44.4	62%	0.62	21%	0.208	S	C	*	.	H	α-helix	trans	-58.4	-32.3	-179.5	-58.1	-30.1	0	0	0	113.2	H239 R245	H239-D241 PolarHBondContact O-N 3.24Å; D241-R245 WeakPolarHBondContact O-CG 3.46Å; D241-R245 PolarHBondContact O-NE 3.25Å
242	V	89.9	Confident	90.6	Very high	17 Å²	17	44.4 Å²	44.4	10%	0.103	21%	0.208	C	C	.	.	H	α-helix	trans	-72	-47.8	175.4	178.8	0	0	0	0	109.2	D210 L213 V214 I217 H239 A240 H244 R245	D210-V242 WeakPolarHBondContact OD1-CG2 3.26Å; L213-V242 HydrophobicContact CB-CB 4.46Å; L213-V242 HydrophobicContact CB-CG1 3.76Å; V214-V242 HydrophobicContact CG2-CG1 3.71Å; I217-V242 VanDerWaalsContact CD1-C 3.45Å; I217-V242 HydrophobicContact CD1-CG1 3.76Å; I217-V242 WeakPolarHBondContact CD1-O 3.17Å; H239-V242 PolarHBondContact O-N 2.87Å; A240-V242 PolarHBondContact O-N 3.3Å; V242-H244 VanDerWaalsContact C-N 3.33Å; V242-H244 PolarHBondContact O-N 3.06Å; V242-R245 WeakPolarHBondContact O-CB 3.48Å; V242-R245 PolarHBondContact O-N 3.24Å
243	L	88.1	Confident	90.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-33.1	-178.3	-70	169.6	0	0	0	113.3	I173 L213 I217 L229 I231 F236 A240 R245 G246	I173-L243 HydrophobicContact CD1-CD2 3.8Å; L213-L243 HydrophobicContact CD2-CD1 4.46Å; L213-L243 HydrophobicContact CD2-CD2 3.95Å; L213-L243 HydrophobicContact CD2-CG 4.34Å; I217-L243 HydrophobicContact CD1-CD2 4.05Å; I217-L243 HydrophobicContact CG1-CD2 4.37Å; L229-L243 HydrophobicContact CD2-CD2 3.97Å; I231-L243 HydrophobicContact CD1-CD1 4.41Å; F236-L243 HydrophobicContact CD2-CD1 3.4Å; F236-L243 HydrophobicContact CE2-CD1 3.42Å; F236-L243 VanDerWaalsContact CE2-CD1 3.42Å; F236-L243 HydrophobicContact CG-CD1 4.34Å; F236-L243 HydrophobicContact CZ-CD1 4.34Å; A240-L243 CarbonylContact O-C 3.58Å; A240-L243 WeakPolarHBondContact O-CA 3.08Å; A240-L243 WeakPolarHBondContact O-CB 3.28Å; A240-L243 PolarHBondContact O-N 3.13Å; L243-R245 PolarHBondContact O-N 3.45Å; L243-G246 PolarHBondContact O-N 2.98Å; L243-G246 VanDerWaalsContact O-N 3.15Å
244	H	90.3	Very high	90.8	Very high	61 Å²	61	44.7 Å²	44.7	28%	0.282	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.9	177.7	-68	173.6	0	0	0	113.6	A240 V242 G246 A269 A272	A240-H244 PolarHBondContact O-CD2 3.34Å; A240-H244 VanDerWaalsContact O-CD2 3.31Å; A240-H244 VanDerWaalsContact O-CG 3.25Å; A240-H244 PolarHBondContact O-N 2.99Å; V242-H244 VanDerWaalsContact C-N 3.33Å; V242-H244 PolarHBondContact O-N 3.06Å; H244-G246 PolarHBondContact O-N 3.48Å; H244-A269 PolarHBondContact NE2-O 3.37Å; H244-A272 VanDerWaalsContact CE1-CB 3.5Å; H244-A272 WeakPolarHBondContact CE1-CB 3.25Å
245	R	87.6	Confident	90.6	Very high	205 Å²	205	41.6 Å²	41.6	77%	0.774	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-21.1	176.4	-58.4	174.1	-168.8	-164.4	-0.2	112.5	D241 V242 L243	D241-R245 WeakPolarHBondContact O-CG 3.46Å; D241-R245 PolarHBondContact O-NE 3.25Å; V242-R245 WeakPolarHBondContact O-CB 3.48Å; V242-R245 PolarHBondContact O-N 3.24Å; L243-R245 PolarHBondContact O-N 3.45Å
246	G	84.3	Confident	90.2	Very high	7 Å²	7	41 Å²	41	7%	0.072	19%	0.192	C	C	.	.	S	Bend	trans	-96.8	152.3	-176.1	0	0	0	0	0	113.7	I217 L243 H244	I217-G246 VanDerWaalsContact CG2-CA 3.5Å; L243-G246 PolarHBondContact O-N 2.98Å; L243-G246 VanDerWaalsContact O-N 3.15Å; H244-G246 PolarHBondContact O-N 3.48Å
247	K	87.3	Confident	89.5	Confident	176 Å²	176	42.7 Å²	42.7	77%	0.765	20%	0.2	S	C	*	.			trans	-89.2	121.6	165.2	-66.7	-175.4	179.9	-178.4	0	109.7
248	V	92	Very high	88.8	Confident	9 Å²	9	43.5 Å²	43.5	6%	0.055	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.6	178.3	179.7	0	0	0	0	108.5	I173 L250 V251 M273 N274 A275	I173-V248 HydrophobicContact CB-CG1 4.33Å; I173-V248 HydrophobicContact CD1-CB 4.41Å; I173-V248 HydrophobicContact CD1-CG1 3.97Å; I173-V248 HydrophobicContact CD1-CG2 3.61Å; I173-V248 HydrophobicContact CG1-CG1 3.78Å; I173-V248 HydrophobicContact CG1-CG2 4.24Å; V248-L250 WeakPolarHBondContact CG1-O 3.46Å; V248-V251 HydrophobicContact CG1-CG2 4.09Å; V248-M273 HydrophobicContact CG2-SD 4.28Å; V248-N274 PolarHBondContact N-O 3.41Å; V248-A275 HydrophobicContact CB-CB 4.43Å; V248-A275 WeakPolarHBondContact O-CA 3.34Å
249	G	92.5	Very high	88.2	Confident	15 Å²	15	38.1 Å²	38.1	16%	0.155	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-31.8	-174.2	0	0	0	0	0	113.9	K171 R277	K171-G249 PolarHBondContact O-N 3.03Å; K171-G249 VanDerWaalsContact O-N 3.07Å; G249-R277 WeakPolarHBondContact O-CB 3.3Å; G249-R277 PolarHBondContact O-N 3.29Å
250	L	95.5	Very high	87.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	137.5	-176.8	175.9	67.3	0	0	0	111.1	V126 M155 L158 I169 A172 I173 V248 I252 R277 V279	V126-L250 HydrophobicContact CG1-CD1 4.48Å; M155-L250 HydrophobicContact CG-CD2 3.8Å; L158-L250 HydrophobicContact CD1-CD2 3.85Å; I169-L250 HydrophobicContact CD1-CB 3.55Å; I169-L250 HydrophobicContact CD1-CD2 4.03Å; I169-L250 HydrophobicContact CD1-CG 4.48Å; A172-L250 WeakPolarHBondContact CA-O 3.25Å; A172-L250 HydrophobicContact CB-CB 4.32Å; A172-L250 HydrophobicContact CB-CD2 4.48Å; I173-L250 PolarHBondContact N-O 2.87Å; V248-L250 WeakPolarHBondContact CG1-O 3.46Å; L250-I252 HydrophobicContact CD2-CD1 4.12Å; L250-I252 HydrophobicContact CD2-CG1 4.22Å; L250-I252 HydrophobicContact CG-CG1 4.15Å; L250-R277 WeakPolarHBondContact CA-O 3.5Å; L250-R277 HydrophobicContact CD1-CB 3.73Å; L250-V279 HydrophobicContact CD1-CG2 3.99Å
251	V	95.8	Very high	86.6	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.5	172.8	178.8	0	0	0	0	109	I173 V248 L270 M273 A275 R277 R278 V279	I173-V251 CarbonylContact O-C 3.59Å; I173-V251 WeakPolarHBondContact O-CA 3.34Å; V248-V251 HydrophobicContact CG1-CG2 4.09Å; V251-L270 HydrophobicContact CG1-CD2 4.45Å; V251-M273 HydrophobicContact CB-CE 4.15Å; V251-M273 HydrophobicContact CG1-CE 3.81Å; V251-M273 HydrophobicContact CG2-CE 3.23Å; V251-M273 HydrophobicContact CG2-SD 4.1Å; V251-A275 HydrophobicContact CB-CB 4.35Å; V251-A275 HydrophobicContact CG2-CB 3.29Å; V251-R277 PolarHBondContact N-O 3.43Å; V251-R278 WeakPolarHBondContact O-CA 3.3Å; V251-V279 PolarHBondContact O-N 2.86Å
252	I	96.3	Very high	85.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118	175.8	-60.5	178.5	0	0	0	108	C151 M155 I173 V174 V175 W184 L250 V279 I281	C151-I252 HydrophobicContact CB-CD1 4.07Å; M155-I252 HydrophobicContact CE-CD1 4.25Å; M155-I252 HydrophobicContact CG-CD1 3.48Å; M155-I252 VanDerWaalsContact CG-CD1 3.48Å; M155-I252 HydrophobicContact SD-CD1 3.59Å; M155-I252 VanDerWaalsContact SD-CD1 3.59Å; I173-I252 PolarHBondContact O-N 3.38Å; V174-I252 CarbonylContact C-O 3.55Å; V174-I252 WeakPolarHBondContact CA-O 3.37Å; V174-I252 HydrophobicContact CG2-CB 4.33Å; V174-I252 HydrophobicContact CG2-CD1 4.43Å; V175-I252 PolarHBondContact N-O 3.31Å; W184-I252 HydrophobicContact CH2-CG2 4.41Å; L250-I252 HydrophobicContact CD2-CD1 4.12Å; L250-I252 HydrophobicContact CD2-CG1 4.22Å; L250-I252 HydrophobicContact CG-CG1 4.15Å; I252-V279 CarbonylContact C-O 3.56Å; I252-V279 VanDerWaalsContact CA-O 3.31Å; I252-V279 WeakPolarHBondContact CA-O 3.49Å; I252-V279 HydrophobicContact CG1-CB 4.21Å; I252-I281 HydrophobicContact CG2-CD1 3.5Å; I252-I281 HydrophobicContact CG2-CG1 4.02Å
253	C	94.2	Very high	84.8	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	107.7	175.9	-62.3	0	0	0	0	109	L259 V279 I281	C253-L259 HydrophobicContact CB-CD1 4.07Å; C253-V279 PolarHBondContact N-O 2.94Å; C253-I281 PolarHBondContact O-N 3.06Å
254	D	91.3	Very high	84.5	Confident	11 Å²	11	47.5 Å²	47.5	6%	0.059	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	144.9	176.5	-164.9	20.5	0	0	0	111.7	V175 W184 Y233 G256	V175-D254 PolarHBondContact O-N 3.21Å; W184-D254 HydrophobicContact CZ2-CB 4.33Å; W184-D254 PolarHBondContact NE1-OD2 3.43Å; Y233-D254 WeakPolarHBondContact CE2-O 3.37Å; Y233-D254 VanDerWaalsContact CZ-O 3.29Å; Y233-D254 PolarHBondContact OH-O 3.26Å; D254-G256 VanDerWaalsContact C-N 3.26Å; D254-G256 PolarHBondContact O-N 3.24Å
255	E	84.6	Confident	84.2	Confident	16 Å²	16	50.4 Å²	50.4	8%	0.075	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	47.5	-170.1	-58.7	-65.8	-177.3	0	0	112.6	P177 L180 H257 R258 I281 Q560	P177-E255 HydrophobicContact CG-CB 4.11Å; P177-E255 HydrophobicContact CG-CG 4.06Å; L180-E255 HydrophobicContact CD1-CG 4.17Å; E255-H257 PolarHBondContact O-N 2.92Å; E255-H257 IonicContact OE2-CE1 2.82Å; E255-H257 PolarHBondContact OE2-CE1 3.09Å; E255-H257 IonicContact OE2-ND1 3.53Å; E255-H257 PolarHBondContact OE2-ND1 2.8Å; E255-R258 WeakPolarHBondContact O-CB 3.31Å; E255-R258 WeakPolarHBondContact O-CG 3.31Å; E255-R258 PolarHBondContact O-N 3.06Å; E255-I281 CarbonylContact C-O 3.55Å; E255-I281 WeakPolarHBondContact CA-O 3.47Å; E255-I281 PolarHBondContact N-O 3.31Å; E255-I281 VanDerWaalsContact N-O 3.1Å; E255-Q560 PolarHBondContact OE1-NE2 2.82Å; E255-Q560 VanDerWaalsContact OE1-NE2 3.11Å
256	G	81.6	Confident	84.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-61.5	-11.6	-175.9	0	0	0	0	0	114.8	D254 R258 L259 I281 L296	D254-G256 VanDerWaalsContact C-N 3.26Å; D254-G256 PolarHBondContact O-N 3.24Å; G256-R258 PolarHBondContact O-N 3.25Å; G256-L259 WeakPolarHBondContact O-CB 3.39Å; G256-L259 PolarHBondContact O-N 3.39Å; G256-I281 PolarHBondContact N-O 2.75Å; G256-L296 VanDerWaalsContact O-CD2 3.29Å; G256-L296 WeakPolarHBondContact O-CD2 3.15Å
257	H	76.5	Confident	84.3	Confident	37 Å²	37	41.4 Å²	41.4	17%	0.171	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-60.4	-7.2	164.6	73.1	-98	0	0	0	113.1	E255 L259 K260 T284	E255-H257 PolarHBondContact O-N 2.92Å; E255-H257 IonicContact OE2-CE1 2.82Å; E255-H257 PolarHBondContact OE2-CE1 3.09Å; E255-H257 IonicContact OE2-ND1 3.53Å; E255-H257 PolarHBondContact OE2-ND1 2.8Å; H257-L259 VanDerWaalsContact C-N 3.28Å; H257-K260 WeakPolarHBondContact O-CD 3.42Å; H257-K260 VanDerWaalsContact O-CE 3.25Å; H257-K260 WeakPolarHBondContact O-CE 3.45Å; H257-K260 WeakPolarHBondContact O-CG 3.43Å; H257-T284 PolarHBondContact ND1-OG1 3.48Å
258	R	76.8	Confident	84.4	Confident	110 Å²	110	38.1 Å²	38.1	42%	0.415	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-73.3	-17.9	166.5	-70.7	-177.4	169.3	-150.5	-3.3	113.4	E234 E255 G256 K260	E234-R258 IonicContact OE1-NH1 2.7Å; E255-R258 WeakPolarHBondContact O-CB 3.31Å; E255-R258 WeakPolarHBondContact O-CG 3.31Å; E255-R258 PolarHBondContact O-N 3.06Å; G256-R258 PolarHBondContact O-N 3.25Å; R258-K260 VanDerWaalsContact C-N 3.32Å; R258-K260 PolarHBondContact O-N 3.45Å
259	L	78.1	Confident	84.3	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.195	C	C	.	.			trans	-96.4	32.9	-176.4	-55.6	176.8	0	0	0	112.5	Y233 C253 G256 H257 N261 T266 Y267 L270 L280 L296 F299	Y233-L259 HydrophobicContact CE1-CD1 4.49Å; Y233-L259 HydrophobicContact CE1-CD2 4.08Å; Y233-L259 HydrophobicContact CE1-CG 4.43Å; C253-L259 HydrophobicContact CB-CD1 4.07Å; G256-L259 WeakPolarHBondContact O-CB 3.39Å; G256-L259 PolarHBondContact O-N 3.39Å; H257-L259 VanDerWaalsContact C-N 3.28Å; L259-N261 PolarHBondContact O-N 2.66Å; L259-T266 HydrophobicContact CD2-CG2 3.9Å; L259-Y267 HydrophobicContact CB-CD2 4.46Å; L259-L270 HydrophobicContact CD1-CD1 3.92Å; L259-L270 HydrophobicContact CD2-CD1 3.84Å; L259-L280 HydrophobicContact CD1-CD1 4.14Å; L259-L296 HydrophobicContact CB-CD2 4Å; L259-F299 HydrophobicContact CD1-CE1 4.28Å; L259-F299 HydrophobicContact CD1-CZ 4.44Å
260	K	73.6	Confident	84.2	Confident	47 Å²	47	37.6 Å²	37.6	20%	0.204	19%	0.188	C	C	.	.			trans	-59.9	-40.6	-176.8	-77.9	157.5	164.2	-86.2	0	114.4	H257 R258 E292 S295	H257-K260 WeakPolarHBondContact O-CD 3.42Å; H257-K260 VanDerWaalsContact O-CE 3.25Å; H257-K260 WeakPolarHBondContact O-CE 3.45Å; H257-K260 WeakPolarHBondContact O-CG 3.43Å; R258-K260 VanDerWaalsContact C-N 3.32Å; R258-K260 PolarHBondContact O-N 3.45Å; K260-E292 HydrophobicContact CB-CB 4.45Å; K260-E292 HydrophobicContact CB-CG 3.84Å; K260-E292 WeakPolarHBondContact CD-OE1 3.2Å; K260-E292 HydrophobicContact CG-CB 4.38Å; K260-E292 VanDerWaalsContact CG-CD 3.45Å; K260-E292 HydrophobicContact CG-CG 3.96Å; K260-E292 WeakPolarHBondContact CG-OE1 3.01Å; K260-E292 WeakPolarHBondContact CG-OE2 3.15Å; K260-E292 IonicContact NZ-OE1 3.88Å; K260-E292 PolarHBondContact NZ-OE1 3.28Å; K260-E292 IonicContact NZ-OE2 3.93Å; K260-E292 PolarHBondContact NZ-OE2 3.01Å; K260-S295 VanDerWaalsContact O-CB 3.31Å; K260-S295 WeakPolarHBondContact O-CB 3.5Å; K260-S295 PolarHBondContact O-OG 3.4Å
261	N	73.3	Confident	83.8	Confident	88 Å²	88	41.5 Å²	41.5	47%	0.471	21%	0.206	S	C	.	.			trans	-107.7	126.1	-174.5	-169	-3.8	0	0	0	110.6	L259 D263 N264	L259-N261 PolarHBondContact O-N 2.66Å; N261-D263 PolarHBondContact O-N 2.91Å; N261-D263 PolarHBondContact OD1-N 2.94Å; N261-D263 VanDerWaalsContact OD1-N 3.08Å; N261-N264 WeakPolarHBondContact O-CB 3.47Å; N261-N264 PolarHBondContact O-N 3.1Å; N261-N264 VanDerWaalsContact O-N 3.13Å
262	A	71.1	Confident	83.6	Confident	33 Å²	33	44.5 Å²	44.5	27%	0.273	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.3	175.5	0	0	0	0	0	113	N264 Y267	A262-N264 PolarHBondContact O-N 2.73Å; A262-Y267 HydrophobicContact CB-CD1 4.32Å; A262-Y267 HydrophobicContact CB-CE1 4.15Å; A262-Y267 WeakPolarHBondContact O-CD1 3.23Å
263	D	70.8	Confident	83.2	Confident	124 Å²	124	44.6 Å²	44.6	66%	0.663	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.2	177.2	-62.4	-32.9	0	0	0	113.1	N261 Q265	N261-D263 PolarHBondContact O-N 2.91Å; N261-D263 PolarHBondContact OD1-N 2.94Å; N261-D263 VanDerWaalsContact OD1-N 3.08Å; D263-Q265 PolarHBondContact O-N 2.91Å
264	N	80.3	Confident	82.8	Confident	55 Å²	55	49.2 Å²	49.2	29%	0.294	26%	0.256	S	S	.	.	S	Bend	trans	-65.5	129.7	177.8	-173.8	-7.2	0	0	0	110.2	N261 A262 T266 Y267 Q268	N261-N264 WeakPolarHBondContact O-CB 3.47Å; N261-N264 PolarHBondContact O-N 3.1Å; N261-N264 VanDerWaalsContact O-N 3.13Å; A262-N264 PolarHBondContact O-N 2.73Å; N264-T266 PolarHBondContact O-N 3.4Å; N264-T266 VanDerWaalsContact O-N 3.1Å; N264-T266 PolarHBondContact OD1-N 2.96Å; N264-T266 VanDerWaalsContact OD1-N 3.12Å; N264-Y267 WeakPolarHBondContact O-CA 3.44Å; N264-Y267 VanDerWaalsContact O-CB 3.24Å; N264-Y267 WeakPolarHBondContact O-CB 3.48Å; N264-Y267 PolarHBondContact O-N 3.12Å; N264-Q268 PolarHBondContact O-N 2.81Å
265	Q	84.1	Confident	82.8	Confident	122 Å²	122	49.1 Å²	49.1	57%	0.57	26%	0.256	S	S	*	.	H	α-helix	trans	-51	-37.1	175	-67	176.8	-7.7	0	0	112.7	R237 D263 Q268 A269	R237-Q265 HydrophobicContact CG-CB 4.31Å; D263-Q265 PolarHBondContact O-N 2.91Å; Q265-Q268 PolarHBondContact O-N 2.84Å; Q265-A269 VanDerWaalsContact O-CB 3.3Å; Q265-A269 WeakPolarHBondContact O-CB 3.41Å; Q265-A269 PolarHBondContact O-N 2.91Å
266	T	87.1	Confident	83	Confident	13 Å²	13	52.9 Å²	52.9	8%	0.08	27%	0.274	C	S	.	.	H	α-helix	trans	-65.7	-39.3	176.8	-57	0	0	0	0	111.8	Y233 L259 N264 L270	Y233-T266 HydrophobicContact CD1-CG2 3.49Å; Y233-T266 VanDerWaalsContact CD1-CG2 3.49Å; Y233-T266 HydrophobicContact CE1-CG2 4.24Å; Y233-T266 HydrophobicContact CG-CG2 4.32Å; L259-T266 HydrophobicContact CD2-CG2 3.9Å; N264-T266 PolarHBondContact O-N 3.4Å; N264-T266 VanDerWaalsContact O-N 3.1Å; N264-T266 PolarHBondContact OD1-N 2.96Å; N264-T266 VanDerWaalsContact OD1-N 3.12Å; T266-L270 HydrophobicContact CG2-CD1 4Å; T266-L270 WeakPolarHBondContact O-CB 3.46Å; T266-L270 WeakPolarHBondContact O-CD1 3.32Å; T266-L270 VanDerWaalsContact O-CG 3.29Å; T266-L270 WeakPolarHBondContact O-CG 3.24Å; T266-L270 PolarHBondContact O-N 2.91Å
267	Y	88.1	Confident	83.7	Confident	11 Å²	11	53.6 Å²	53.6	4%	0.043	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-50.4	175	-177.7	-77.3	0	0	0	110.2	L259 A262 N264 A269 L270 H271 S295 H298 F299	L259-Y267 HydrophobicContact CB-CD2 4.46Å; A262-Y267 HydrophobicContact CB-CD1 4.32Å; A262-Y267 HydrophobicContact CB-CE1 4.15Å; A262-Y267 WeakPolarHBondContact O-CD1 3.23Å; N264-Y267 WeakPolarHBondContact O-CA 3.44Å; N264-Y267 VanDerWaalsContact O-CB 3.24Å; N264-Y267 WeakPolarHBondContact O-CB 3.48Å; N264-Y267 PolarHBondContact O-N 3.12Å; Y267-A269 PolarHBondContact O-N 2.59Å; Y267-L270 PolarHBondContact O-N 3.39Å; Y267-H271 HydrophobicContact CD1-CB 4.38Å; Y267-H271 HydrophobicContact CE1-CB 4.21Å; Y267-H271 VanDerWaalsContact O-CB 3.27Å; Y267-H271 WeakPolarHBondContact O-CB 3.24Å; Y267-H271 PolarHBondContact O-N 3.36Å; Y267-S295 WeakPolarHBondContact CE2-O 3.07Å; Y267-S295 PolarHBondContact OH-O 3.16Å; Y267-H298 PolarHBondContact OH-CD2 2.94Å; Y267-F299 HydrophobicContact CD2-CD2 4.33Å; Y267-F299 HydrophobicContact CE2-CB 3.61Å; Y267-F299 HydrophobicContact CE2-CD2 4.01Å; Y267-F299 HydrophobicContact CE2-CG 4.15Å; Y267-F299 WeakPolarHBondContact OH-CA 3.35Å; Y267-F299 PolarHBondContact OH-N 3.12Å
268	Q	88.6	Confident	84.5	Confident	107 Å²	107	53 Å²	53	50%	0.5	27%	0.273	S	S	.	.	H	α-helix	trans	-60.7	-44.2	-179.6	-65.9	177.8	-8.6	0	0	111.8	N264 Q265 L270 H271 A272	N264-Q268 PolarHBondContact O-N 2.81Å; Q265-Q268 PolarHBondContact O-N 2.84Å; Q268-L270 PolarHBondContact O-N 3.08Å; Q268-H271 PolarHBondContact O-N 2.81Å; Q268-A272 VanDerWaalsContact O-CB 3.32Å; Q268-A272 WeakPolarHBondContact O-CB 3.45Å; Q268-A272 PolarHBondContact O-N 2.81Å
269	A	90.8	Very high	85.4	Confident	13 Å²	13	47.9 Å²	47.9	11%	0.107	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-42.4	177.1	0	0	0	0	0	112.6	F236 A240 H244 Q265 Y267 M273	F236-A269 HydrophobicContact CD1-CB 4.41Å; F236-A269 HydrophobicContact CE1-CB 3.94Å; A240-A269 HydrophobicContact CB-CB 3.88Å; H244-A269 PolarHBondContact NE2-O 3.37Å; Q265-A269 VanDerWaalsContact O-CB 3.3Å; Q265-A269 WeakPolarHBondContact O-CB 3.41Å; Q265-A269 PolarHBondContact O-N 2.91Å; Y267-A269 PolarHBondContact O-N 2.59Å; A269-M273 PolarHBondContact O-N 3.44Å
270	L	90	Very high	86.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-72.4	-35	177.3	-72.6	166.4	0	0	0	112.2	V175 Y233 F236 V251 L259 T266 Y267 Q268 M273 R278 F299	V175-L270 HydrophobicContact CG2-CD2 3.89Å; Y233-L270 HydrophobicContact CD1-CD1 4.42Å; Y233-L270 HydrophobicContact CE1-CD1 4.08Å; F236-L270 HydrophobicContact CD1-CD2 3.84Å; F236-L270 HydrophobicContact CD1-CG 4.08Å; F236-L270 HydrophobicContact CD2-CD2 4.42Å; F236-L270 HydrophobicContact CE1-CB 4.34Å; F236-L270 HydrophobicContact CE1-CD2 3.36Å; F236-L270 HydrophobicContact CE1-CG 3.61Å; F236-L270 HydrophobicContact CE2-CD2 3.98Å; F236-L270 HydrophobicContact CG-CD2 4.37Å; F236-L270 HydrophobicContact CZ-CD2 3.46Å; F236-L270 VanDerWaalsContact CZ-CD2 3.46Å; F236-L270 HydrophobicContact CZ-CG 4.16Å; V251-L270 HydrophobicContact CG1-CD2 4.45Å; L259-L270 HydrophobicContact CD1-CD1 3.92Å; L259-L270 HydrophobicContact CD2-CD1 3.84Å; T266-L270 HydrophobicContact CG2-CD1 4Å; T266-L270 WeakPolarHBondContact O-CB 3.46Å; T266-L270 WeakPolarHBondContact O-CD1 3.32Å; T266-L270 VanDerWaalsContact O-CG 3.29Å; T266-L270 WeakPolarHBondContact O-CG 3.24Å; T266-L270 PolarHBondContact O-N 2.91Å; Y267-L270 PolarHBondContact O-N 3.39Å; Q268-L270 PolarHBondContact O-N 3.08Å; L270-M273 HydrophobicContact CD2-CE 4.08Å; L270-R278 PolarHBondContact O-NH1 3.01Å; L270-F299 HydrophobicContact CB-CE2 3.54Å; L270-F299 HydrophobicContact CB-CZ 3.8Å; L270-F299 HydrophobicContact CD1-CZ 4.35Å
271	H	87.9	Confident	87	Confident	82 Å²	82	45.6 Å²	45.6	38%	0.38	24%	0.244	S	C	.	.	H	α-helix	trans	-66.6	-45.6	177.5	-173.9	-96.8	0	0	0	110.9	Y267 Q268 M273 R278	Y267-H271 HydrophobicContact CD1-CB 4.38Å; Y267-H271 HydrophobicContact CE1-CB 4.21Å; Y267-H271 VanDerWaalsContact O-CB 3.27Å; Y267-H271 WeakPolarHBondContact O-CB 3.24Å; Y267-H271 PolarHBondContact O-N 3.36Å; Q268-H271 PolarHBondContact O-N 2.81Å; H271-M273 PolarHBondContact O-N 3.01Å; H271-R278 PolarHBondContact O-NH2 3.17Å; H271-R278 VanDerWaalsContact O-NH2 3.12Å
272	A	89.8	Confident	87.5	Confident	63 Å²	63	41.4 Å²	41.4	52%	0.521	22%	0.221	S	C	.	.	H	α-helix	trans	-65.3	-21.3	178.9	0	0	0	0	0	114.3	H244 Q268 N274	H244-A272 VanDerWaalsContact CE1-CB 3.5Å; H244-A272 WeakPolarHBondContact CE1-CB 3.25Å; Q268-A272 VanDerWaalsContact O-CB 3.32Å; Q268-A272 WeakPolarHBondContact O-CB 3.45Å; Q268-A272 PolarHBondContact O-N 2.81Å; A272-N274 PolarHBondContact O-N 2.67Å
273	M	89.1	Confident	87.5	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.209	C	C	.	.	S	Bend	trans	-66.3	134	177.3	-179.7	176.1	43.7	0	0	111.6	I173 F236 V248 V251 A269 L270 H271 A275 R278	I173-M273 HydrophobicContact CD1-SD 3.94Å; F236-M273 HydrophobicContact CE2-CE 3.89Å; F236-M273 HydrophobicContact CE2-SD 3.85Å; F236-M273 HydrophobicContact CZ-CB 4.49Å; F236-M273 HydrophobicContact CZ-CE 3.72Å; F236-M273 HydrophobicContact CZ-SD 3.94Å; V248-M273 HydrophobicContact CG2-SD 4.28Å; V251-M273 HydrophobicContact CB-CE 4.15Å; V251-M273 HydrophobicContact CG1-CE 3.81Å; V251-M273 HydrophobicContact CG2-CE 3.23Å; V251-M273 HydrophobicContact CG2-SD 4.1Å; A269-M273 PolarHBondContact O-N 3.44Å; L270-M273 HydrophobicContact CD2-CE 4.08Å; H271-M273 PolarHBondContact O-N 3.01Å; M273-A275 VanDerWaalsContact C-N 3.28Å; M273-A275 PolarHBondContact O-N 2.93Å; M273-R278 PolarHBondContact O-NH2 2.95Å; M273-R278 VanDerWaalsContact O-NH2 3.12Å
274	N	86.2	Confident	87.2	Confident	99 Å²	99	34.3 Å²	34.3	53%	0.529	18%	0.179	S	C	.	.			trans	-76.7	78.2	178.3	-168.6	-3	0	0	0	111.7	V248 A272	V248-N274 PolarHBondContact N-O 3.41Å; A272-N274 PolarHBondContact O-N 2.67Å
275	A	90.1	Very high	86	Confident	9 Å²	9	33 Å²	33	7%	0.074	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.2	173.3	0	0	0	0	0	111.4	V248 V251 M273	V248-A275 HydrophobicContact CB-CB 4.43Å; V248-A275 WeakPolarHBondContact O-CA 3.34Å; V251-A275 HydrophobicContact CB-CB 4.35Å; V251-A275 HydrophobicContact CG2-CB 3.29Å; M273-A275 VanDerWaalsContact C-N 3.28Å; M273-A275 PolarHBondContact O-N 2.93Å
276	Q	90	Very high	84.8	Confident	95 Å²	95	27.9 Å²	27.9	44%	0.444	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-44.4	179.5	-173.9	-177	6.6	0	0	111.7	Y135	Y135-Q276 WeakPolarHBondContact CB-O 3.3Å; Y135-Q276 HydrophobicContact CD2-CG 3.82Å; Y135-Q276 HydrophobicContact CE2-CG 4.22Å; Y135-Q276 VanDerWaalsContact CE2-NE2 3.33Å; Y135-Q276 HydrophobicContact CG-CG 4.05Å; Y135-Q276 VanDerWaalsContact CZ-NE2 3.26Å
277	R	94.4	Very high	83.1	Confident	14 Å²	14	29.6 Å²	29.6	5%	0.053	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.3	-172.8	-57.6	170.6	-178.3	66.7	1.5	110.3	V126 Y135 E168 G249 L250 V251	V126-R277 HydrophobicContact CB-CB 4.13Å; V126-R277 HydrophobicContact CB-CG 4.21Å; V126-R277 HydrophobicContact CG1-CB 4.49Å; V126-R277 WeakPolarHBondContact O-CD 3.15Å; V126-R277 VanDerWaalsContact O-CG 3.26Å; V126-R277 WeakPolarHBondContact O-CG 3.21Å; V126-R277 PolarHBondContact O-NE 3.25Å; V126-R277 VanDerWaalsContact O-NE 3.11Å; Y135-R277 WeakPolarHBondContact O-CA 3.47Å; E168-R277 IonicContact OE1-CZ 3.89Å; E168-R277 IonicContact OE1-NH2 3.01Å; E168-R277 PolarHBondContact OE1-NH2 2.96Å; G249-R277 WeakPolarHBondContact O-CB 3.3Å; G249-R277 PolarHBondContact O-N 3.29Å; L250-R277 WeakPolarHBondContact CA-O 3.5Å; L250-R277 HydrophobicContact CD1-CB 3.73Å; V251-R277 PolarHBondContact N-O 3.43Å
278	R	94.4	Very high	81.6	Confident	26 Å²	26	31.4 Å²	31.4	10%	0.098	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124	-175	-62.5	177.4	-175.7	-113.7	-0.3	110.3	Y135 G136 C137 V251 L270 H271 M273 F299	Y135-R278 PolarHBondContact O-N 2.88Å; G136-R278 CarbonylContact C-O 3.48Å; G136-R278 WeakPolarHBondContact CA-O 3.46Å; C137-R278 PolarHBondContact N-O 3.18Å; V251-R278 WeakPolarHBondContact O-CA 3.3Å; L270-R278 PolarHBondContact O-NH1 3.01Å; H271-R278 PolarHBondContact O-NH2 3.17Å; H271-R278 VanDerWaalsContact O-NH2 3.12Å; M273-R278 PolarHBondContact O-NH2 2.95Å; M273-R278 VanDerWaalsContact O-NH2 3.12Å; R278-F299 WeakPolarHBondContact CD-O 3.35Å; R278-F299 VanDerWaalsContact NH1-CE2 3.28Å
279	V	95.5	Very high	80.4	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.8	174.6	177.4	0	0	0	0	108.3	L122 V126 C137 L154 L250 V251 I252 C253 I281	L122-V279 HydrophobicContact CD2-CG1 3.69Å; L122-V279 HydrophobicContact CD2-CG2 4.31Å; V126-V279 HydrophobicContact CG1-CG2 3.53Å; C137-V279 HydrophobicContact CB-CG2 4.31Å; C137-V279 CarbonylContact O-C 3.48Å; C137-V279 WeakPolarHBondContact O-CA 3.31Å; L154-V279 HydrophobicContact CD2-CG2 3.91Å; L250-V279 HydrophobicContact CD1-CG2 3.99Å; V251-V279 PolarHBondContact O-N 2.86Å; I252-V279 CarbonylContact C-O 3.56Å; I252-V279 VanDerWaalsContact CA-O 3.31Å; I252-V279 WeakPolarHBondContact CA-O 3.49Å; I252-V279 HydrophobicContact CG1-CB 4.21Å; C253-V279 PolarHBondContact N-O 2.94Å; V279-I281 HydrophobicContact CG1-CG1 4.34Å
280	L	93.2	Very high	79.6	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.5	175.9	-166.7	143	0	0	0	109.1	C137 I138 M139 L259 L296 F299 V300	C137-L280 PolarHBondContact O-N 2.84Å; I138-L280 CarbonylContact C-O 3.58Å; I138-L280 WeakPolarHBondContact CA-O 3.38Å; I138-L280 HydrophobicContact CG1-CB 4.43Å; I138-L280 HydrophobicContact CG2-CD2 4.32Å; M139-L280 PolarHBondContact N-O 3.02Å; L259-L280 HydrophobicContact CD1-CD1 4.14Å; L280-L296 HydrophobicContact CD1-CD2 3.52Å; L280-L296 HydrophobicContact CD2-CD2 4.2Å; L280-F299 HydrophobicContact CD1-CD1 3.97Å; L280-F299 HydrophobicContact CD1-CE1 4.41Å; L280-V300 HydrophobicContact CB-CG2 3.7Å; L280-V300 HydrophobicContact CD1-CG2 4.22Å
281	I	91.2	Very high	78.9	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.5	-179.7	-50.5	177.2	0	0	0	108.1	M139 K147 C151 W184 I252 C253 E255 G256 V279	M139-I281 HydrophobicContact CE-CB 4.43Å; M139-I281 HydrophobicContact CE-CD1 4.09Å; M139-I281 HydrophobicContact CE-CG1 3.91Å; M139-I281 HydrophobicContact CE-CG2 3.83Å; M139-I281 WeakPolarHBondContact O-CA 3.49Å; K147-I281 HydrophobicContact CB-CG2 4.12Å; K147-I281 HydrophobicContact CD-CG2 3.58Å; K147-I281 HydrophobicContact CG-CG2 4.39Å; C151-I281 HydrophobicContact CB-CD1 4.38Å; C151-I281 WeakPolarHBondContact SG-CD1 3Å; W184-I281 HydrophobicContact CH2-CD1 4.09Å; W184-I281 HydrophobicContact CZ2-CD1 3.91Å; I252-I281 HydrophobicContact CG2-CD1 3.5Å; I252-I281 HydrophobicContact CG2-CG1 4.02Å; C253-I281 PolarHBondContact O-N 3.06Å; E255-I281 CarbonylContact C-O 3.55Å; E255-I281 WeakPolarHBondContact CA-O 3.47Å; E255-I281 PolarHBondContact N-O 3.31Å; E255-I281 VanDerWaalsContact N-O 3.1Å; G256-I281 PolarHBondContact N-O 2.75Å; V279-I281 HydrophobicContact CG1-CG1 4.34Å
282	S	84.6	Confident	78.3	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.			trans	-130.4	134.7	169.3	-166.5	0	0	0	0	109.8	M139 A140 T284	M139-S282 PolarHBondContact O-N 3.25Å; A140-S282 CarbonylContact C-O 3.54Å; A140-S282 WeakPolarHBondContact CA-O 3.27Å; S282-T284 VanDerWaalsContact C-N 3.34Å; S282-T284 WeakPolarHBondContact CB-O 2.9Å; S282-T284 PolarHBondContact OG-N 2.87Å; S282-T284 PolarHBondContact OG-O 2.82Å; S282-T284 PolarHBondContact OG-OG1 2.74Å
283	G	71.3	Confident	77.7	Confident	2 Å²	2	26.7 Å²	26.7	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	-85.3	-14	169.6	0	0	0	0	0	113.6
284	T	64.1	Low	77.5	Confident	6 Å²	6	27.2 Å²	27.2	4%	0.037	14%	0.138	C	C	.	.	S	Bend	trans	-112.8	137.3	-176	64.3	0	0	0	0	107.4	H257 S282 I286 A556	H257-T284 PolarHBondContact ND1-OG1 3.48Å; S282-T284 VanDerWaalsContact C-N 3.34Å; S282-T284 WeakPolarHBondContact CB-O 2.9Å; S282-T284 PolarHBondContact OG-N 2.87Å; S282-T284 PolarHBondContact OG-O 2.82Å; S282-T284 PolarHBondContact OG-OG1 2.74Å; T284-I286 PolarHBondContact O-N 3.02Å; T284-A556 HydrophobicContact CG2-CB 3.13Å
285	P	54.8	Low	77.4	Confident	27 Å²	27	23 Å²	23	18%	0.175	12%	0.117	C	C	.	.			trans	-61.2	142	173.1	30.3	-37	0	0	0	108.9	Q287 S600	P285-Q287 PolarHBondContact O-N 3.12Å; P285-Q287 VanDerWaalsContact O-N 3.12Å; P285-S600 WeakPolarHBondContact CB-OG 3.46Å; P285-S600 WeakPolarHBondContact CG-OG 3.41Å
286	I	58.5	Low	77.2	Confident	15 Å²	15	22.7 Å²	22.7	8%	0.077	11%	0.113	C	C	.	.			trans	-57.3	119.7	-172.8	-64.1	167.4	0	0	0	107.9	I138 T284 N288 E292 Y293 L296 L350	I138-I286 HydrophobicContact CG2-CD1 4.44Å; T284-I286 PolarHBondContact O-N 3.02Å; I286-N288 PolarHBondContact O-N 2.9Å; I286-E292 HydrophobicContact CG2-CB 4.46Å; I286-Y293 HydrophobicContact CB-CD2 3.96Å; I286-Y293 HydrophobicContact CD1-CD2 3.57Å; I286-Y293 HydrophobicContact CD1-CE2 3.69Å; I286-Y293 HydrophobicContact CG1-CD2 4.36Å; I286-Y293 HydrophobicContact CG2-CD2 3.79Å; I286-L296 HydrophobicContact CB-CD1 4.22Å; I286-L296 HydrophobicContact CD1-CD1 3.74Å; I286-L296 HydrophobicContact CG1-CD1 3.63Å; I286-L296 HydrophobicContact CG2-CD1 3.6Å; I286-L350 HydrophobicContact CD1-CD1 4.13Å
287	Q	52.8	Low	77	Confident	50 Å²	50	18.2 Å²	18.2	23%	0.234	9%	0.093	C	C	.	.			trans	-77.7	90.5	-154.7	-63.9	-174.2	-32.2	0	0	111.9	P285 D289 E292 N554	P285-Q287 PolarHBondContact O-N 3.12Å; P285-Q287 VanDerWaalsContact O-N 3.12Å; Q287-D289 PolarHBondContact O-N 2.94Å; Q287-E292 VanDerWaalsContact O-OE2 3.08Å; Q287-N554 PolarHBondContact NE2-ND2 3.35Å; Q287-N554 PolarHBondContact NE2-OD1 2.96Å
288	N	55.9	Low	76.7	Confident	49 Å²	49	20 Å²	20	26%	0.262	10%	0.102	S	C	.	.	S	Bend	trans	59.1	-11.8	155.2	-63.4	-16.6	0	0	0	119.7	I286	I286-N288 PolarHBondContact O-N 2.9Å
289	D	64.6	Low	76.3	Confident	66 Å²	66	19 Å²	19	35%	0.353	10%	0.098	S	C	.	.			trans	-105.9	123.8	175.3	-172.9	-3.1	0	0	0	110.4	Q287 L291 E292 Y293	Q287-D289 PolarHBondContact O-N 2.94Å; D289-L291 PolarHBondContact O-N 3.42Å; D289-L291 WeakPolarHBondContact OD1-CB 3.48Å; D289-L291 PolarHBondContact OD1-N 3.36Å; D289-E292 HydrophobicContact CB-CB 4.27Å; D289-E292 HydrophobicContact CB-CG 3.86Å; D289-E292 WeakPolarHBondContact O-CB 3.4Å; D289-E292 PolarHBondContact O-N 3.06Å; D289-E292 VanDerWaalsContact O-N 3.14Å; D289-Y293 PolarHBondContact O-N 3.28Å; D289-Y293 VanDerWaalsContact O-N 3.13Å
290	L	73.1	Confident	75.9	Confident	3 Å²	3	19.3 Å²	19.3	2%	0.016	10%	0.1	C	C	.	.	H	α-helix	trans	-63.2	-25	177.9	-67.5	173.7	0	0	0	111.3	Y293 F294 F311 E316 I319 L342	L290-Y293 WeakPolarHBondContact O-CB 3.29Å; L290-Y293 PolarHBondContact O-N 2.77Å; L290-F294 PolarHBondContact O-N 3.17Å; L290-F311 HydrophobicContact CB-CE1 4.22Å; L290-F311 HydrophobicContact CB-CZ 4.23Å; L290-F311 WeakPolarHBondContact O-CE1 3.46Å; L290-F311 WeakPolarHBondContact O-CZ 3.39Å; L290-E316 HydrophobicContact CB-CG 4.26Å; L290-E316 HydrophobicContact CD1-CB 4.48Å; L290-E316 HydrophobicContact CD1-CG 4.33Å; L290-I319 HydrophobicContact CD1-CB 3.92Å; L290-I319 HydrophobicContact CD1-CD1 3.96Å; L290-I319 HydrophobicContact CD1-CG2 3.79Å; L290-L342 HydrophobicContact CD2-CD2 4.02Å
291	L	74.7	Confident	75.5	Confident	45 Å²	45	19.6 Å²	19.6	24%	0.236	10%	0.102	C	C	.	.	H	α-helix	trans	-73.4	-34.9	174.1	-73.4	172.9	0	0	0	113.6	D289 Y293 F294 S295 K312 E316	D289-L291 PolarHBondContact O-N 3.42Å; D289-L291 WeakPolarHBondContact OD1-CB 3.48Å; D289-L291 PolarHBondContact OD1-N 3.36Å; L291-Y293 VanDerWaalsContact C-N 3.27Å; L291-F294 PolarHBondContact O-N 3.4Å; L291-S295 WeakPolarHBondContact O-CB 3.2Å; L291-S295 PolarHBondContact O-N 2.96Å; L291-S295 PolarHBondContact O-OG 3.21Å; L291-K312 HydrophobicContact CD2-CD 4.44Å; L291-K312 VanDerWaalsContact CD2-CE 3.4Å; L291-K312 HydrophobicContact CD2-CG 4.18Å; L291-E316 WeakPolarHBondContact CD2-OE2 3.18Å; L291-E316 WeakPolarHBondContact CG-OE2 3.26Å
292	E	76.9	Confident	75.1	Confident	35 Å²	35	23 Å²	23	16%	0.164	13%	0.129	C	C	.	.	H	α-helix	trans	-64.4	-40.6	170.8	-67	-174.5	168.3	0	0	110	K260 I286 Q287 D289 S295 L296	K260-E292 HydrophobicContact CB-CB 4.45Å; K260-E292 HydrophobicContact CB-CG 3.84Å; K260-E292 WeakPolarHBondContact CD-OE1 3.2Å; K260-E292 HydrophobicContact CG-CB 4.38Å; K260-E292 VanDerWaalsContact CG-CD 3.45Å; K260-E292 HydrophobicContact CG-CG 3.96Å; K260-E292 WeakPolarHBondContact CG-OE1 3.01Å; K260-E292 WeakPolarHBondContact CG-OE2 3.15Å; K260-E292 IonicContact NZ-OE1 3.88Å; K260-E292 PolarHBondContact NZ-OE1 3.28Å; K260-E292 IonicContact NZ-OE2 3.93Å; K260-E292 PolarHBondContact NZ-OE2 3.01Å; I286-E292 HydrophobicContact CG2-CB 4.46Å; Q287-E292 VanDerWaalsContact O-OE2 3.08Å; D289-E292 HydrophobicContact CB-CB 4.27Å; D289-E292 HydrophobicContact CB-CG 3.86Å; D289-E292 WeakPolarHBondContact O-CB 3.4Å; D289-E292 PolarHBondContact O-N 3.06Å; D289-E292 VanDerWaalsContact O-N 3.14Å; E292-S295 PolarHBondContact O-N 3.03Å; E292-L296 VanDerWaalsContact O-CG 3.31Å; E292-L296 WeakPolarHBondContact O-CG 2.9Å; E292-L296 PolarHBondContact O-N 3.39Å
293	Y	77.1	Confident	74.8	Confident	16 Å²	16	25.7 Å²	25.7	6%	0.063	16%	0.157	C	C	.	.	H	α-helix	trans	-61.9	-46	175.2	-162.1	-106.7	0	0	0	112.2	I286 D289 L290 L291 S295 L296 V297 L342 V346 L350	I286-Y293 HydrophobicContact CB-CD2 3.96Å; I286-Y293 HydrophobicContact CD1-CD2 3.57Å; I286-Y293 HydrophobicContact CD1-CE2 3.69Å; I286-Y293 HydrophobicContact CG1-CD2 4.36Å; I286-Y293 HydrophobicContact CG2-CD2 3.79Å; D289-Y293 PolarHBondContact O-N 3.28Å; D289-Y293 VanDerWaalsContact O-N 3.13Å; L290-Y293 WeakPolarHBondContact O-CB 3.29Å; L290-Y293 PolarHBondContact O-N 2.77Å; L291-Y293 VanDerWaalsContact C-N 3.27Å; Y293-S295 VanDerWaalsContact C-N 3.35Å; Y293-S295 PolarHBondContact O-N 2.81Å; Y293-L296 PolarHBondContact O-N 2.55Å; Y293-V297 HydrophobicContact CD1-CG2 4.13Å; Y293-V297 HydrophobicContact CE1-CG2 4.15Å; Y293-V297 WeakPolarHBondContact O-CB 3.37Å; Y293-V297 VanDerWaalsContact O-CG2 3.26Å; Y293-V297 WeakPolarHBondContact O-CG2 2.88Å; Y293-V297 PolarHBondContact O-N 3.19Å; Y293-L342 HydrophobicContact CD1-CD2 4.42Å; Y293-L342 HydrophobicContact CE1-CD1 4.36Å; Y293-L342 HydrophobicContact CE1-CD2 4.43Å; Y293-L342 HydrophobicContact CE1-CG 4.25Å; Y293-V346 HydrophobicContact CD1-CG2 4.4Å; Y293-V346 HydrophobicContact CE1-CB 3.77Å; Y293-V346 HydrophobicContact CE1-CG1 3.81Å; Y293-V346 HydrophobicContact CE1-CG2 3.4Å; Y293-V346 HydrophobicContact CE2-CG1 4.23Å; Y293-V346 WeakPolarHBondContact OH-CB 3.36Å; Y293-V346 WeakPolarHBondContact OH-CG1 3.39Å; Y293-L350 HydrophobicContact CE2-CD1 4.18Å
294	F	84.4	Confident	75.3	Confident	13 Å²	13	28 Å²	28	6%	0.057	17%	0.168	C	C	.	.	H	α-helix	trans	-56.6	-48.8	173.3	172.3	-95.3	0	0	0	111.4	L290 L291 L296 V297 H298 L305 A308 F311	L290-F294 PolarHBondContact O-N 3.17Å; L291-F294 PolarHBondContact O-N 3.4Å; F294-L296 VanDerWaalsContact C-N 3.33Å; F294-L296 PolarHBondContact O-N 3.35Å; F294-V297 PolarHBondContact O-N 3.46Å; F294-H298 HydrophobicContact CE1-CB 4.19Å; F294-H298 HydrophobicContact CE2-CB 4.45Å; F294-H298 HydrophobicContact CZ-CB 4.11Å; F294-H298 WeakPolarHBondContact O-CB 3.48Å; F294-H298 PolarHBondContact O-N 3.03Å; F294-L305 HydrophobicContact CD2-CB 4.22Å; F294-L305 HydrophobicContact CD2-CD1 4.29Å; F294-L305 HydrophobicContact CE2-CB 4.25Å; F294-A308 HydrophobicContact CD1-CB 4.27Å; F294-A308 HydrophobicContact CE1-CB 3.53Å; F294-A308 HydrophobicContact CZ-CB 3.77Å; F294-A308 VanDerWaalsContact CZ-N 3.33Å; F294-F311 HydrophobicContact CB-CD1 3.72Å; F294-F311 HydrophobicContact CB-CD2 4.42Å; F294-F311 HydrophobicContact CB-CE1 3.67Å; F294-F311 HydrophobicContact CB-CE2 4.36Å; F294-F311 HydrophobicContact CB-CG 4.11Å; F294-F311 HydrophobicContact CB-CZ 4Å; F294-F311 HydrophobicContact CD2-CB 3.54Å; F294-F311 AromaticContact CD2-CD1 3.85Å; F294-F311 HydrophobicContact CD2-CD1 3.85Å; F294-F311 AromaticContact CD2-CD2 3.77Å; F294-F311 HydrophobicContact CD2-CD2 3.77Å; F294-F311 HydrophobicContact CD2-CE2 4.46Å; F294-F311 AromaticContact CD2-CG 3.41Å; F294-F311 HydrophobicContact CD2-CG 3.41Å; F294-F311 VanDerWaalsContact CD2-CG 3.41Å; F294-F311 HydrophobicContact CE2-CB 3.76Å; F294-F311 HydrophobicContact CE2-CG 4.17Å; F294-F311 HydrophobicContact CG-CB 4.35Å; F294-F311 AromaticContact CG-CD1 3.93Å; F294-F311 HydrophobicContact CG-CD1 3.93Å; F294-F311 HydrophobicContact CG-CE1 4.39Å; F294-F311 AromaticContact CG-CG 4Å; F294-F311 HydrophobicContact CG-CG 4Å
295	S	83.6	Confident	76.2	Confident	12 Å²	12	28.4 Å²	28.4	8%	0.084	17%	0.17	C	C	.	.	H	α-helix	trans	-59.8	-43.8	-178.2	-59.5	0	0	0	0	111.5	K260 Y267 L291 E292 Y293 F299	K260-S295 VanDerWaalsContact O-CB 3.31Å; K260-S295 WeakPolarHBondContact O-CB 3.5Å; K260-S295 PolarHBondContact O-OG 3.4Å; Y267-S295 WeakPolarHBondContact CE2-O 3.07Å; Y267-S295 PolarHBondContact OH-O 3.16Å; L291-S295 WeakPolarHBondContact O-CB 3.2Å; L291-S295 PolarHBondContact O-N 2.96Å; L291-S295 PolarHBondContact O-OG 3.21Å; E292-S295 PolarHBondContact O-N 3.03Å; Y293-S295 VanDerWaalsContact C-N 3.35Å; Y293-S295 PolarHBondContact O-N 2.81Å; S295-F299 WeakPolarHBondContact O-CB 3.24Å; S295-F299 PolarHBondContact O-N 3.2Å
296	L	85.6	Confident	77.6	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-68.5	-44	178.2	-66.5	172.4	0	0	0	112.6	G256 L259 L280 I286 E292 Y293 F294 F299 V300	G256-L296 VanDerWaalsContact O-CD2 3.29Å; G256-L296 WeakPolarHBondContact O-CD2 3.15Å; L259-L296 HydrophobicContact CB-CD2 4Å; L280-L296 HydrophobicContact CD1-CD2 3.52Å; L280-L296 HydrophobicContact CD2-CD2 4.2Å; I286-L296 HydrophobicContact CB-CD1 4.22Å; I286-L296 HydrophobicContact CD1-CD1 3.74Å; I286-L296 HydrophobicContact CG1-CD1 3.63Å; I286-L296 HydrophobicContact CG2-CD1 3.6Å; E292-L296 VanDerWaalsContact O-CG 3.31Å; E292-L296 WeakPolarHBondContact O-CG 2.9Å; E292-L296 PolarHBondContact O-N 3.39Å; Y293-L296 PolarHBondContact O-N 2.55Å; F294-L296 VanDerWaalsContact C-N 3.33Å; F294-L296 PolarHBondContact O-N 3.35Å; L296-F299 PolarHBondContact O-N 3.31Å; L296-V300 WeakPolarHBondContact O-CG2 3.48Å; L296-V300 PolarHBondContact O-N 3.23Å; L296-V300 VanDerWaalsContact O-N 3.17Å
297	V	85.9	Confident	78.9	Confident	1 Å²	1	31 Å²	31	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-67.3	-41.1	178.8	175.5	0	0	0	0	110.6	I138 Y293 F294 V300 N301 L305 V346	I138-V297 HydrophobicContact CD1-CG2 3.9Å; Y293-V297 HydrophobicContact CD1-CG2 4.13Å; Y293-V297 HydrophobicContact CE1-CG2 4.15Å; Y293-V297 WeakPolarHBondContact O-CB 3.37Å; Y293-V297 VanDerWaalsContact O-CG2 3.26Å; Y293-V297 WeakPolarHBondContact O-CG2 2.88Å; Y293-V297 PolarHBondContact O-N 3.19Å; F294-V297 PolarHBondContact O-N 3.46Å; V297-V300 PolarHBondContact O-N 3.45Å; V297-N301 CarbonylContact O-C 3.59Å; V297-N301 PolarHBondContact O-N 3.19Å; V297-L305 HydrophobicContact CB-CD1 3.79Å; V297-L305 HydrophobicContact CG1-CD1 3.52Å; V297-L305 HydrophobicContact CG1-CG 3.97Å; V297-L305 HydrophobicContact CG2-CD1 4.37Å; V297-V346 HydrophobicContact CG1-CG2 4.42Å; V297-V346 HydrophobicContact CG2-CG1 3.93Å; V297-V346 HydrophobicContact CG2-CG2 3.98Å
298	H	87.6	Confident	80.4	Confident	53 Å²	53	30.8 Å²	30.8	25%	0.245	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-41.1	176.8	-175.7	74.3	0	0	0	111.8	Y267 F294 V300 N301 A302	Y267-H298 PolarHBondContact OH-CD2 2.94Å; F294-H298 HydrophobicContact CE1-CB 4.19Å; F294-H298 HydrophobicContact CE2-CB 4.45Å; F294-H298 HydrophobicContact CZ-CB 4.11Å; F294-H298 WeakPolarHBondContact O-CB 3.48Å; F294-H298 PolarHBondContact O-N 3.03Å; H298-V300 VanDerWaalsContact C-N 3.3Å; H298-V300 PolarHBondContact O-N 2.94Å; H298-N301 CarbonylContact O-C 3.58Å; H298-A302 WeakPolarHBondContact O-CA 3.04Å; H298-A302 PolarHBondContact O-N 3.14Å; H298-A302 VanDerWaalsContact O-N 3.13Å
299	F	86.9	Confident	81.9	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-58.5	-42.8	174.5	176.5	-103.1	0	0	0	112.9	L259 Y267 L270 R278 L280 S295 L296	L259-F299 HydrophobicContact CD1-CE1 4.28Å; L259-F299 HydrophobicContact CD1-CZ 4.44Å; Y267-F299 HydrophobicContact CD2-CD2 4.33Å; Y267-F299 HydrophobicContact CE2-CB 3.61Å; Y267-F299 HydrophobicContact CE2-CD2 4.01Å; Y267-F299 HydrophobicContact CE2-CG 4.15Å; Y267-F299 WeakPolarHBondContact OH-CA 3.35Å; Y267-F299 PolarHBondContact OH-N 3.12Å; L270-F299 HydrophobicContact CB-CE2 3.54Å; L270-F299 HydrophobicContact CB-CZ 3.8Å; L270-F299 HydrophobicContact CD1-CZ 4.35Å; R278-F299 WeakPolarHBondContact CD-O 3.35Å; R278-F299 VanDerWaalsContact NH1-CE2 3.28Å; L280-F299 HydrophobicContact CD1-CD1 3.97Å; L280-F299 HydrophobicContact CD1-CE1 4.41Å; S295-F299 WeakPolarHBondContact O-CB 3.24Å; S295-F299 PolarHBondContact O-N 3.2Å; L296-F299 PolarHBondContact O-N 3.31Å
300	V	87.2	Confident	83	Confident	8 Å²	8	38.3 Å²	38.3	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-78.7	-44.4	-175.8	171.8	0	0	0	0	110.7	G136 I138 L280 L296 V297 H298	G136-V300 WeakPolarHBondContact CA-O 3.46Å; I138-V300 HydrophobicContact CG1-CB 4.36Å; I138-V300 HydrophobicContact CG1-CG1 4.28Å; I138-V300 HydrophobicContact CG1-CG2 3.91Å; L280-V300 HydrophobicContact CB-CG2 3.7Å; L280-V300 HydrophobicContact CD1-CG2 4.22Å; L296-V300 WeakPolarHBondContact O-CG2 3.48Å; L296-V300 PolarHBondContact O-N 3.23Å; L296-V300 VanDerWaalsContact O-N 3.17Å; V297-V300 PolarHBondContact O-N 3.45Å; H298-V300 VanDerWaalsContact C-N 3.3Å; H298-V300 PolarHBondContact O-N 2.94Å
301	N	85.6	Confident	83.8	Confident	6 Å²	6	38.1 Å²	38.1	3%	0.032	23%	0.229	C	C	.	.	S	Bend	trans	-138.1	86.7	-177	-69.9	-46.9	0	0	0	111	S134 Y135 G136 V297 H298 G303 I304	S134-N301 WeakPolarHBondContact CB-OD1 3.33Å; S134-N301 PolarHBondContact OG-ND2 3.33Å; S134-N301 PolarHBondContact OG-OD1 3.28Å; Y135-N301 PolarHBondContact N-OD1 3.29Å; G136-N301 WeakPolarHBondContact CA-OD1 3.4Å; G136-N301 PolarHBondContact N-OD1 3.13Å; G136-N301 PolarHBondContact O-ND2 2.67Å; V297-N301 CarbonylContact O-C 3.59Å; V297-N301 PolarHBondContact O-N 3.19Å; H298-N301 CarbonylContact O-C 3.58Å; N301-G303 PolarHBondContact O-N 2.79Å; N301-I304 HydrophobicContact CB-CD1 3.32Å; N301-I304 HydrophobicContact CB-CG1 3.83Å
302	A	82.2	Confident	84.5	Confident	71 Å²	71	40.3 Å²	40.3	59%	0.587	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	130.4	175.4	0	0	0	0	0	110.8	H298	H298-A302 WeakPolarHBondContact O-CA 3.04Å; H298-A302 PolarHBondContact O-N 3.14Å; H298-A302 VanDerWaalsContact O-N 3.13Å
303	G	77.6	Confident	85.1	Confident	56 Å²	56	46.7 Å²	46.7	58%	0.577	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	-15.5	173.7	0	0	0	0	0	116.6	N301 L305 G306	N301-G303 PolarHBondContact O-N 2.79Å; G303-L305 VanDerWaalsContact C-N 3.33Å; G303-L305 PolarHBondContact O-N 3.25Å; G303-G306 PolarHBondContact O-N 2.74Å
304	I	82.6	Confident	85.7	Confident	51 Å²	51	52.2 Å²	52.2	26%	0.262	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-38.4	-179.3	-64.8	-174.1	0	0	0	112.2	I131 N301 I345	I131-I304 HydrophobicContact CD1-CD1 3.7Å; I131-I304 HydrophobicContact CG2-CD1 3.99Å; N301-I304 HydrophobicContact CB-CD1 3.32Å; N301-I304 HydrophobicContact CB-CG1 3.83Å; I304-I345 HydrophobicContact CG2-CG2 3.43Å; I304-I345 VanDerWaalsContact CG2-CG2 3.43Å
305	L	81.6	Confident	85.8	Confident	15 Å²	15	51.8 Å²	51.8	8%	0.079	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	6.1	-178.4	-65.6	178.6	0	0	0	113.4	F294 V297 G303 F311 F315 L342 I345	F294-L305 HydrophobicContact CD2-CB 4.22Å; F294-L305 HydrophobicContact CD2-CD1 4.29Å; F294-L305 HydrophobicContact CE2-CB 4.25Å; V297-L305 HydrophobicContact CB-CD1 3.79Å; V297-L305 HydrophobicContact CG1-CD1 3.52Å; V297-L305 HydrophobicContact CG1-CG 3.97Å; V297-L305 HydrophobicContact CG2-CD1 4.37Å; G303-L305 VanDerWaalsContact C-N 3.33Å; G303-L305 PolarHBondContact O-N 3.25Å; L305-F311 HydrophobicContact CB-CD2 4.21Å; L305-F311 HydrophobicContact CD1-CD2 4.11Å; L305-F311 HydrophobicContact CD1-CE2 4.06Å; L305-F315 HydrophobicContact CD2-CE2 4.48Å; L305-L342 HydrophobicContact CD1-CD1 4.38Å; L305-L342 HydrophobicContact CD2-CD1 3.85Å; L305-I345 HydrophobicContact CD2-CD1 4.48Å; L305-I345 HydrophobicContact CD2-CG2 3.93Å
306	G	84.4	Confident	85.9	Confident	24 Å²	24	52.2 Å²	52.2	25%	0.247	28%	0.283	C	S	.	.			trans	72.5	-156.6	-171.9	0	0	0	0	0	113.2	G303 E310	G303-G306 PolarHBondContact O-N 2.74Å; G306-E310 WeakPolarHBondContact CA-OE2 3.46Å
307	T	86.4	Confident	86	Confident	72 Å²	72	57.3 Å²	57.3	44%	0.442	31%	0.31	S	S	.	.			trans	-78.1	162.7	175.6	67.9	0	0	0	0	111.7	Q309 E310 F311	T307-Q309 PolarHBondContact O-N 2.81Å; T307-E310 PolarHBondContact N-OE2 3.39Å; T307-E310 PolarHBondContact O-N 2.98Å; T307-E310 VanDerWaalsContact OG1-CG 3.28Å; T307-E310 WeakPolarHBondContact OG1-CG 3.39Å; T307-E310 PolarHBondContact OG1-N 3.33Å; T307-E310 PolarHBondContact OG1-OE2 2.92Å; T307-F311 WeakPolarHBondContact O-CB 3.46Å; T307-F311 PolarHBondContact O-N 2.65Å
308	A	84.4	Confident	86.1	Confident	46 Å²	46	58.4 Å²	58.4	38%	0.38	32%	0.317	S	S	.	.	H	α-helix	trans	-58.2	-34.6	177.3	0	0	0	0	0	112.7	F294 K312	F294-A308 HydrophobicContact CD1-CB 4.27Å; F294-A308 HydrophobicContact CE1-CB 3.53Å; F294-A308 HydrophobicContact CZ-CB 3.77Å; F294-A308 VanDerWaalsContact CZ-N 3.33Å; A308-K312 WeakPolarHBondContact O-CB 3.17Å; A308-K312 WeakPolarHBondContact O-CG 3.4Å; A308-K312 PolarHBondContact O-N 3.36Å
309	Q	86.5	Confident	85.9	Confident	162 Å²	162	55.9 Å²	55.9	76%	0.757	31%	0.305	S	S	*	.	H	α-helix	trans	-72.1	-41.6	178.3	-66.9	-179.3	-7.6	0	0	111.9	T307 K312 K313	T307-Q309 PolarHBondContact O-N 2.81Å; Q309-K312 PolarHBondContact O-N 3.28Å; Q309-K313 WeakPolarHBondContact O-CB 3.49Å; Q309-K313 PolarHBondContact O-N 3.04Å
310	E	89.4	Confident	85.7	Confident	110 Å²	110	58.7 Å²	58.7	51%	0.514	32%	0.32	S	S	.	.	H	α-helix	trans	-63.6	-43.1	174.6	-72.8	166.9	167.7	0	0	111.2	G306 T307 K313 R314	G306-E310 WeakPolarHBondContact CA-OE2 3.46Å; T307-E310 PolarHBondContact N-OE2 3.39Å; T307-E310 PolarHBondContact O-N 2.98Å; T307-E310 VanDerWaalsContact OG1-CG 3.28Å; T307-E310 WeakPolarHBondContact OG1-CG 3.39Å; T307-E310 PolarHBondContact OG1-N 3.33Å; T307-E310 PolarHBondContact OG1-OE2 2.92Å; E310-K313 PolarHBondContact O-N 2.9Å; E310-R314 WeakPolarHBondContact O-CB 3.15Å; E310-R314 PolarHBondContact O-N 3.4Å
311	F	89.4	Confident	85.4	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.6	-48	175.1	176.3	-94.6	0	0	0	111.7	L290 F294 L305 T307 K313 R314 F315 E316 L342	L290-F311 HydrophobicContact CB-CE1 4.22Å; L290-F311 HydrophobicContact CB-CZ 4.23Å; L290-F311 WeakPolarHBondContact O-CE1 3.46Å; L290-F311 WeakPolarHBondContact O-CZ 3.39Å; F294-F311 HydrophobicContact CB-CD1 3.72Å; F294-F311 HydrophobicContact CB-CD2 4.42Å; F294-F311 HydrophobicContact CB-CE1 3.67Å; F294-F311 HydrophobicContact CB-CE2 4.36Å; F294-F311 HydrophobicContact CB-CG 4.11Å; F294-F311 HydrophobicContact CB-CZ 4Å; F294-F311 HydrophobicContact CD2-CB 3.54Å; F294-F311 AromaticContact CD2-CD1 3.85Å; F294-F311 HydrophobicContact CD2-CD1 3.85Å; F294-F311 AromaticContact CD2-CD2 3.77Å; F294-F311 HydrophobicContact CD2-CD2 3.77Å; F294-F311 HydrophobicContact CD2-CE2 4.46Å; F294-F311 AromaticContact CD2-CG 3.41Å; F294-F311 HydrophobicContact CD2-CG 3.41Å; F294-F311 VanDerWaalsContact CD2-CG 3.41Å; F294-F311 HydrophobicContact CE2-CB 3.76Å; F294-F311 HydrophobicContact CE2-CG 4.17Å; F294-F311 HydrophobicContact CG-CB 4.35Å; F294-F311 AromaticContact CG-CD1 3.93Å; F294-F311 HydrophobicContact CG-CD1 3.93Å; F294-F311 HydrophobicContact CG-CE1 4.39Å; F294-F311 AromaticContact CG-CG 4Å; F294-F311 HydrophobicContact CG-CG 4Å; L305-F311 HydrophobicContact CB-CD2 4.21Å; L305-F311 HydrophobicContact CD1-CD2 4.11Å; L305-F311 HydrophobicContact CD1-CE2 4.06Å; T307-F311 WeakPolarHBondContact O-CB 3.46Å; T307-F311 PolarHBondContact O-N 2.65Å; F311-K313 VanDerWaalsContact C-N 3.33Å; F311-K313 PolarHBondContact O-N 3.22Å; F311-R314 PolarHBondContact O-N 2.86Å; F311-F315 HydrophobicContact CD2-CB 4.25Å; F311-F315 AromaticContact CD2-CD2 3.65Å; F311-F315 HydrophobicContact CD2-CD2 3.65Å; F311-F315 HydrophobicContact CD2-CE2 4.46Å; F311-F315 HydrophobicContact CD2-CG 4.32Å; F311-F315 HydrophobicContact CE2-CB 3.97Å; F311-F315 AromaticContact CE2-CD2 3.95Å; F311-F315 HydrophobicContact CE2-CD2 3.95Å; F311-F315 HydrophobicContact CE2-CG 4.22Å; F311-F315 HydrophobicContact CG-CD2 4.49Å; F311-F315 HydrophobicContact CZ-CB 4.3Å; F311-F315 PolarHBondContact O-N 2.99Å; F311-E316 HydrophobicContact CE1-CB 4.25Å; F311-E316 PolarHBondContact O-N 2.8Å; F311-L342 HydrophobicContact CE2-CD1 3.79Å; F311-L342 HydrophobicContact CE2-CD2 4.26Å; F311-L342 HydrophobicContact CZ-CD2 4.33Å
312	K	88.1	Confident	85.1	Confident	90 Å²	90	64 Å²	64	39%	0.391	35%	0.345	S	S	.	.	I	π-helix	trans	-53.8	-49.9	176.4	-91.6	179.4	178.3	-164.1	0	112.1	L291 A308 Q309 E316 L317	L291-K312 HydrophobicContact CD2-CD 4.44Å; L291-K312 VanDerWaalsContact CD2-CE 3.4Å; L291-K312 HydrophobicContact CD2-CG 4.18Å; A308-K312 WeakPolarHBondContact O-CB 3.17Å; A308-K312 WeakPolarHBondContact O-CG 3.4Å; A308-K312 PolarHBondContact O-N 3.36Å; Q309-K312 PolarHBondContact O-N 3.28Å; K312-E316 WeakPolarHBondContact CG-OE2 3.49Å; K312-E316 PolarHBondContact O-N 3.23Å; K312-L317 WeakPolarHBondContact O-CG 3.49Å; K312-L317 PolarHBondContact O-N 3.41Å
313	K	90.4	Very high	84.6	Confident	169 Å²	169	63.7 Å²	63.7	74%	0.735	33%	0.328	S	S	*	.	I	π-helix	trans	-69.8	-39.1	-177.7	-171.9	178.1	179.4	-179.5	0	112.7	Q309 E310 F311	Q309-K313 WeakPolarHBondContact O-CB 3.49Å; Q309-K313 PolarHBondContact O-N 3.04Å; E310-K313 PolarHBondContact O-N 2.9Å; F311-K313 VanDerWaalsContact C-N 3.33Å; F311-K313 PolarHBondContact O-N 3.22Å
314	R	89.9	Confident	84.3	Confident	133 Å²	133	65.5 Å²	65.5	50%	0.502	33%	0.325	S	S	.	.	I	π-helix	trans	-84.6	-34.5	-172.6	-176.1	175.2	173.5	163.2	-0.7	113.6	E310 F311 K338 E341	E310-R314 WeakPolarHBondContact O-CB 3.15Å; E310-R314 PolarHBondContact O-N 3.4Å; F311-R314 PolarHBondContact O-N 2.86Å; R314-K338 WeakPolarHBondContact O-CD 3.35Å; R314-E341 IonicContact CZ-OE1 2.92Å; R314-E341 IonicContact NE-OE1 3.09Å; R314-E341 PolarHBondContact NE-OE1 3.4Å; R314-E341 IonicContact NH2-OE1 2.65Å; R314-E341 PolarHBondContact NH2-OE1 3.4Å
315	F	87.3	Confident	83.6	Confident	3 Å²	3	65.7 Å²	65.7	1%	0.013	33%	0.334	C	S	.	.	I	π-helix	trans	-122.1	-59.2	-172.4	-63.2	-73.2	0	0	0	112	L305 F311 P318 I319 K338 E341 L342 I345	L305-F315 HydrophobicContact CD2-CE2 4.48Å; F311-F315 HydrophobicContact CD2-CB 4.25Å; F311-F315 AromaticContact CD2-CD2 3.65Å; F311-F315 HydrophobicContact CD2-CD2 3.65Å; F311-F315 HydrophobicContact CD2-CE2 4.46Å; F311-F315 HydrophobicContact CD2-CG 4.32Å; F311-F315 HydrophobicContact CE2-CB 3.97Å; F311-F315 AromaticContact CE2-CD2 3.95Å; F311-F315 HydrophobicContact CE2-CD2 3.95Å; F311-F315 HydrophobicContact CE2-CG 4.22Å; F311-F315 HydrophobicContact CG-CD2 4.49Å; F311-F315 HydrophobicContact CZ-CB 4.3Å; F311-F315 PolarHBondContact O-N 2.99Å; F315-P318 WeakPolarHBondContact O-CD 3.46Å; F315-I319 HydrophobicContact CB-CD1 4.15Å; F315-I319 VanDerWaalsContact O-CB 3.31Å; F315-I319 WeakPolarHBondContact O-CB 3.08Å; F315-I319 VanDerWaalsContact O-CD1 3.26Å; F315-I319 WeakPolarHBondContact O-CD1 3.46Å; F315-I319 WeakPolarHBondContact O-CG1 3.02Å; F315-I319 PolarHBondContact O-N 3.38Å; F315-K338 HydrophobicContact CD1-CB 4.42Å; F315-K338 WeakPolarHBondContact CD1-O 3.38Å; F315-E341 HydrophobicContact CE1-CB 4.15Å; F315-E341 HydrophobicContact CE1-CG 3.99Å; F315-E341 HydrophobicContact CZ-CG 4.41Å; F315-L342 HydrophobicContact CD1-CB 3.86Å; F315-L342 HydrophobicContact CD1-CD1 4.46Å; F315-L342 HydrophobicContact CE1-CB 4.04Å; F315-L342 HydrophobicContact CG-CD1 4.43Å; F315-I345 HydrophobicContact CZ-CD1 4.12Å
316	E	85.3	Confident	83.4	Confident	21 Å²	21	72.5 Å²	72.5	10%	0.098	37%	0.37	C	S	.	.	I	π-helix	trans	-61.4	-53.2	-169	-171.2	-177.2	148.3	0	0	113.5	L290 L291 F311 K312 I319 L320	L290-E316 HydrophobicContact CB-CG 4.26Å; L290-E316 HydrophobicContact CD1-CB 4.48Å; L290-E316 HydrophobicContact CD1-CG 4.33Å; L291-E316 WeakPolarHBondContact CD2-OE2 3.18Å; L291-E316 WeakPolarHBondContact CG-OE2 3.26Å; F311-E316 HydrophobicContact CE1-CB 4.25Å; F311-E316 PolarHBondContact O-N 2.8Å; K312-E316 WeakPolarHBondContact CG-OE2 3.49Å; K312-E316 PolarHBondContact O-N 3.23Å; E316-I319 PolarHBondContact O-N 2.82Å; E316-L320 HydrophobicContact CG-CD1 3.84Å; E316-L320 HydrophobicContact CG-CG 4.43Å; E316-L320 WeakPolarHBondContact O-CB 3.41Å; E316-L320 VanDerWaalsContact O-CG 3.31Å; E316-L320 WeakPolarHBondContact O-CG 3.38Å; E316-L320 PolarHBondContact O-N 3.49Å
317	L	86.9	Confident	83.1	Confident	109 Å²	109	71.9 Å²	71.9	57%	0.571	36%	0.363	S	S	*	.	H	α-helix	trans	-63.2	-47.9	-177.6	-68.6	172.8	0	0	0	112.2	K312 I319 L320 K321	K312-L317 WeakPolarHBondContact O-CG 3.49Å; K312-L317 PolarHBondContact O-N 3.41Å; L317-I319 PolarHBondContact O-N 2.93Å; L317-L320 PolarHBondContact O-N 3.47Å; L317-K321 VanDerWaalsContact O-CB 3.26Å; L317-K321 WeakPolarHBondContact O-CB 3.48Å; L317-K321 PolarHBondContact O-N 3.08Å
318	P	88	Confident	83.1	Confident	23 Å²	23	71.1 Å²	71.1	15%	0.149	36%	0.36	C	S	.	.	H	α-helix	trans	-59.9	-41.7	174.1	-25.7	34.6	0	0	0	113.8	F315 K321 G322 G335 K338	F315-P318 WeakPolarHBondContact O-CD 3.46Å; P318-K321 PolarHBondContact O-N 2.86Å; P318-G322 PolarHBondContact O-N 3.19Å; P318-G335 WeakPolarHBondContact O-CA 3.41Å; P318-K338 HydrophobicContact CB-CG 4.1Å
319	I	84.3	Confident	83.3	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-67.7	-42.1	-179.4	-66.8	164.9	0	0	0	110.8	L290 F315 E316 L317 R323 K338 L339 L342	L290-I319 HydrophobicContact CD1-CB 3.92Å; L290-I319 HydrophobicContact CD1-CD1 3.96Å; L290-I319 HydrophobicContact CD1-CG2 3.79Å; F315-I319 HydrophobicContact CB-CD1 4.15Å; F315-I319 VanDerWaalsContact O-CB 3.31Å; F315-I319 WeakPolarHBondContact O-CB 3.08Å; F315-I319 VanDerWaalsContact O-CD1 3.26Å; F315-I319 WeakPolarHBondContact O-CD1 3.46Å; F315-I319 WeakPolarHBondContact O-CG1 3.02Å; F315-I319 PolarHBondContact O-N 3.38Å; E316-I319 PolarHBondContact O-N 2.82Å; L317-I319 PolarHBondContact O-N 2.93Å; I319-R323 WeakPolarHBondContact O-CB 3.48Å; I319-R323 VanDerWaalsContact O-CG 3.23Å; I319-R323 WeakPolarHBondContact O-CG 3.47Å; I319-R323 PolarHBondContact O-N 3.38Å; I319-R323 VanDerWaalsContact O-N 3.13Å; I319-K338 HydrophobicContact CD1-CB 4.45Å; I319-K338 HydrophobicContact CG1-CB 4.05Å; I319-L339 HydrophobicContact CD1-CB 4.24Å; I319-L339 HydrophobicContact CD1-CD1 4.26Å; I319-L339 HydrophobicContact CG1-CB 4.27Å; I319-L342 HydrophobicContact CD1-CD2 4.3Å
320	L	81.6	Confident	83.4	Confident	63 Å²	63	76 Å²	76	33%	0.33	37%	0.371	S	S	.	.	H	α-helix	trans	-65.3	-44.9	176.5	-74.6	175	0	0	0	111.3	E316 L317 G322 R323 D324	E316-L320 HydrophobicContact CG-CD1 3.84Å; E316-L320 HydrophobicContact CG-CG 4.43Å; E316-L320 WeakPolarHBondContact O-CB 3.41Å; E316-L320 VanDerWaalsContact O-CG 3.31Å; E316-L320 WeakPolarHBondContact O-CG 3.38Å; E316-L320 PolarHBondContact O-N 3.49Å; L317-L320 PolarHBondContact O-N 3.47Å; L320-G322 VanDerWaalsContact C-N 3.34Å; L320-G322 PolarHBondContact O-N 2.82Å; L320-R323 PolarHBondContact O-N 2.87Å; L320-R323 VanDerWaalsContact O-N 3.11Å; L320-D324 PolarHBondContact O-N 3.41Å
321	K	80.8	Confident	83.2	Confident	116 Å²	116	72.1 Å²	72.1	50%	0.504	35%	0.354	S	S	.	.	H	α-helix	trans	-62.4	-40.8	178.3	-167.5	-171.4	-178.8	-152.7	0	112	L317 P318 R323 D324 A327 D331	L317-K321 VanDerWaalsContact O-CB 3.26Å; L317-K321 WeakPolarHBondContact O-CB 3.48Å; L317-K321 PolarHBondContact O-N 3.08Å; P318-K321 PolarHBondContact O-N 2.86Å; K321-R323 VanDerWaalsContact C-N 3.26Å; K321-R323 PolarHBondContact O-N 2.97Å; K321-D324 PolarHBondContact O-N 3.31Å; K321-A327 WeakPolarHBondContact O-CB 3.28Å; K321-D331 WeakPolarHBondContact CE-OD1 3.41Å; K321-D331 IonicContact NZ-OD1 3.29Å; K321-D331 PolarHBondContact NZ-OD1 3.45Å; K321-D331 IonicContact NZ-OD2 2.61Å; K321-D331 PolarHBondContact NZ-OD2 2.93Å
322	G	79.7	Confident	82.9	Confident	9 Å²	9	77.6 Å²	77.6	9%	0.093	38%	0.375	C	S	.	.	H	α-helix	trans	-71	-18.6	175.8	0	0	0	0	0	114.1	P318 L320 D331 R332	P318-G322 PolarHBondContact O-N 3.19Å; L320-G322 VanDerWaalsContact C-N 3.34Å; L320-G322 PolarHBondContact O-N 2.82Å; G322-D331 WeakPolarHBondContact CA-O 3.06Å; G322-R332 WeakPolarHBondContact O-CG 3.46Å
323	R	71.6	Confident	83	Confident	65 Å²	65	80.2 Å²	80.2	25%	0.245	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.9	176.8	-74.9	178.2	-177.7	-143.8	2	113.6	I319 L320 K321 L339	I319-R323 WeakPolarHBondContact O-CB 3.48Å; I319-R323 VanDerWaalsContact O-CG 3.23Å; I319-R323 WeakPolarHBondContact O-CG 3.47Å; I319-R323 PolarHBondContact O-N 3.38Å; I319-R323 VanDerWaalsContact O-N 3.13Å; L320-R323 PolarHBondContact O-N 2.87Å; L320-R323 VanDerWaalsContact O-N 3.11Å; K321-R323 VanDerWaalsContact C-N 3.26Å; K321-R323 PolarHBondContact O-N 2.97Å; R323-L339 VanDerWaalsContact NH2-CD2 3.29Å
324	D	72.1	Confident	82.9	Confident	94 Å²	94	76.4 Å²	76.4	50%	0.503	37%	0.373	S	S	.	.	S	Bend	trans	-70.1	144.4	177.1	-149.4	-31.1	0	0	0	110.2	L320 K321 D326 A327	L320-D324 PolarHBondContact O-N 3.41Å; K321-D324 PolarHBondContact O-N 3.31Å; D324-D326 PolarHBondContact O-N 2.84Å; D324-A327 HydrophobicContact CB-CB 4.22Å; D324-A327 WeakPolarHBondContact O-CB 3.35Å; D324-A327 PolarHBondContact O-N 3.27Å
325	A	68.2	Low	82.7	Confident	55 Å²	55	70.3 Å²	70.3	46%	0.455	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-36.8	-178.5	0	0	0	0	0	110.9	A327 R332	A325-A327 VanDerWaalsContact C-N 3.26Å; A325-A327 PolarHBondContact O-N 2.88Å; A325-R332 PolarHBondContact O-NH2 3.32Å
326	D	76.1	Confident	82.5	Confident	157 Å²	157	74.1 Å²	74.1	84%	0.84	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	8.8	178.6	-61.6	-34.4	0	0	0	113.3	D324	D324-D326 PolarHBondContact O-N 2.84Å
327	A	79.1	Confident	82.7	Confident	12 Å²	12	80.5 Å²	80.5	10%	0.099	40%	0.397	C	S	.	.			trans	-65.7	135.4	-177.7	0	0	0	0	0	112.2	K321 D324 A325 D331 R332	K321-A327 WeakPolarHBondContact O-CB 3.28Å; D324-A327 HydrophobicContact CB-CB 4.22Å; D324-A327 WeakPolarHBondContact O-CB 3.35Å; D324-A327 PolarHBondContact O-N 3.27Å; A325-A327 VanDerWaalsContact C-N 3.26Å; A325-A327 PolarHBondContact O-N 2.88Å; A327-D331 HydrophobicContact CB-CB 4.34Å; A327-R332 HydrophobicContact CB-CG 4.03Å
328	S	86.1	Confident	82.8	Confident	55 Å²	55	77.6 Å²	77.6	39%	0.385	38%	0.379	S	S	.	.			trans	-65	153.9	171.7	74.1	0	0	0	0	111	R330 D331 R332	S328-R330 PolarHBondContact O-N 3.44Å; S328-R330 VanDerWaalsContact O-N 3.11Å; S328-D331 PolarHBondContact O-N 3.49Å; S328-D331 VanDerWaalsContact OG-CG 3.22Å; S328-D331 PolarHBondContact OG-N 2.95Å; S328-D331 PolarHBondContact OG-OD2 2.89Å; S328-R332 PolarHBondContact O-N 3.48Å
329	N	87.8	Confident	82.6	Confident	120 Å²	120	77.4 Å²	77.4	64%	0.642	38%	0.377	S	S	*	.	H	α-helix	trans	-53.8	-34.9	176.1	-69.8	-21.1	0	0	0	112.3	R332 E333	N329-R332 PolarHBondContact O-N 3.28Å; N329-E333 WeakPolarHBondContact O-CG 3.15Å; N329-E333 PolarHBondContact O-N 2.76Å; N329-E333 VanDerWaalsContact O-N 3.1Å
330	R	89.4	Confident	82.7	Confident	191 Å²	191	82 Å²	82	72%	0.721	40%	0.397	S	S	*	.	H	α-helix	trans	-66.5	-42.3	175.7	-179.4	179.3	168.4	168.8	-1	112.5	S328 R332 E333 E334	S328-R330 PolarHBondContact O-N 3.44Å; S328-R330 VanDerWaalsContact O-N 3.11Å; R330-R332 VanDerWaalsContact C-N 3.33Å; R330-E333 PolarHBondContact O-N 3.3Å; R330-E334 WeakPolarHBondContact O-CB 3.36Å; R330-E334 PolarHBondContact O-N 3.47Å
331	D	86.3	Confident	83	Confident	28 Å²	28	81.6 Å²	81.6	15%	0.15	39%	0.394	C	S	.	.	H	α-helix	trans	-67.2	-36.1	177.7	-67.5	-52.1	0	0	0	111.2	K321 G322 A327 S328 E334 G335	K321-D331 WeakPolarHBondContact CE-OD1 3.41Å; K321-D331 IonicContact NZ-OD1 3.29Å; K321-D331 PolarHBondContact NZ-OD1 3.45Å; K321-D331 IonicContact NZ-OD2 2.61Å; K321-D331 PolarHBondContact NZ-OD2 2.93Å; G322-D331 WeakPolarHBondContact CA-O 3.06Å; A327-D331 HydrophobicContact CB-CB 4.34Å; S328-D331 PolarHBondContact O-N 3.49Å; S328-D331 VanDerWaalsContact OG-CG 3.22Å; S328-D331 PolarHBondContact OG-N 2.95Å; S328-D331 PolarHBondContact OG-OD2 2.89Å; D331-E334 PolarHBondContact O-N 3.41Å; D331-G335 PolarHBondContact O-N 3.27Å
332	R	82.3	Confident	83.3	Confident	116 Å²	116	76.3 Å²	76.3	44%	0.438	37%	0.371	S	S	.	.	H	α-helix	trans	-60.7	-50.8	173.9	-70.3	-179.2	-179.2	176.3	2.4	111.7	G322 A325 A327 S328 N329 R330 E334 G335 E336	G322-R332 WeakPolarHBondContact O-CG 3.46Å; A325-R332 PolarHBondContact O-NH2 3.32Å; A327-R332 HydrophobicContact CB-CG 4.03Å; S328-R332 PolarHBondContact O-N 3.48Å; N329-R332 PolarHBondContact O-N 3.28Å; R330-R332 VanDerWaalsContact C-N 3.33Å; R332-E334 PolarHBondContact O-N 2.83Å; R332-G335 PolarHBondContact O-N 3.12Å; R332-E336 PolarHBondContact O-N 2.85Å
333	E	89	Confident	83.4	Confident	144 Å²	144	76.1 Å²	76.1	67%	0.673	37%	0.368	S	S	*	.	H	α-helix	trans	-61.4	-41.9	177.9	-74.6	177.8	-172.7	0	0	112.6	N329 R330 E336 K337	N329-E333 WeakPolarHBondContact O-CG 3.15Å; N329-E333 PolarHBondContact O-N 2.76Å; N329-E333 VanDerWaalsContact O-N 3.1Å; R330-E333 PolarHBondContact O-N 3.3Å; E333-E336 PolarHBondContact O-N 3.26Å; E333-K337 WeakPolarHBondContact O-CB 3.18Å; E333-K337 PolarHBondContact O-N 2.9Å
334	E	89.2	Confident	84	Confident	89 Å²	89	76.8 Å²	76.8	42%	0.416	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-44.1	177.4	-174.5	170.7	-177.8	0	0	111.7	R330 D331 R332 E336 K337 K338	R330-E334 WeakPolarHBondContact O-CB 3.36Å; R330-E334 PolarHBondContact O-N 3.47Å; D331-E334 PolarHBondContact O-N 3.41Å; R332-E334 PolarHBondContact O-N 2.83Å; E334-E336 PolarHBondContact O-N 3.48Å; E334-K337 PolarHBondContact O-N 2.99Å; E334-K338 WeakPolarHBondContact O-CG 3.39Å; E334-K338 PolarHBondContact O-N 3.22Å
335	G	85.3	Confident	84.7	Confident	5 Å²	5	74.3 Å²	74.3	5%	0.052	37%	0.369	C	S	.	.	H	α-helix	trans	-59.5	-44.9	175.5	0	0	0	0	0	112.3	P318 D331 R332 K338 L339	P318-G335 WeakPolarHBondContact O-CA 3.41Å; D331-G335 PolarHBondContact O-N 3.27Å; R332-G335 PolarHBondContact O-N 3.12Å; G335-K338 PolarHBondContact O-N 2.93Å; G335-L339 WeakPolarHBondContact O-CB 3.35Å; G335-L339 PolarHBondContact O-N 2.91Å
336	E	83.2	Confident	85.3	Confident	84 Å²	84	71.7 Å²	71.7	39%	0.393	35%	0.347	S	S	.	.	H	α-helix	trans	-68.1	-40.4	179.2	-163.1	-179.6	148.4	0	0	112.4	R332 E333 E334 K338 L339 K340	R332-E336 PolarHBondContact O-N 2.85Å; E333-E336 PolarHBondContact O-N 3.26Å; E334-E336 PolarHBondContact O-N 3.48Å; E336-K338 VanDerWaalsContact C-N 3.31Å; E336-K338 PolarHBondContact O-N 2.72Å; E336-L339 WeakPolarHBondContact O-CB 3.34Å; E336-L339 PolarHBondContact O-N 2.87Å; E336-K340 PolarHBondContact O-N 3.19Å; E336-K340 IonicContact OE1-NZ 3.41Å; E336-K340 PolarHBondContact OE1-NZ 2.79Å
337	K	90.3	Very high	85.7	Confident	155 Å²	155	67.5 Å²	67.5	67%	0.674	32%	0.324	S	S	*	.	H	α-helix	trans	-59.5	-43	174.3	-175.6	177.6	-179.5	177.1	0	111.5	E333 E334 K340 E341	E333-K337 WeakPolarHBondContact O-CB 3.18Å; E333-K337 PolarHBondContact O-N 2.9Å; E334-K337 PolarHBondContact O-N 2.99Å; K337-K340 PolarHBondContact O-N 2.76Å; K337-E341 WeakPolarHBondContact O-CB 3.41Å; K337-E341 PolarHBondContact O-N 2.88Å
338	K	88.8	Confident	86.1	Confident	47 Å²	47	72.6 Å²	72.6	20%	0.204	34%	0.341	C	S	.	.	H	α-helix	trans	-68.4	-35	176.4	-70.8	-58.2	-178.1	-174.2	0	113	R314 F315 P318 I319 E334 G335 E336 E341 L342	R314-K338 WeakPolarHBondContact O-CD 3.35Å; F315-K338 HydrophobicContact CD1-CB 4.42Å; F315-K338 WeakPolarHBondContact CD1-O 3.38Å; P318-K338 HydrophobicContact CB-CG 4.1Å; I319-K338 HydrophobicContact CD1-CB 4.45Å; I319-K338 HydrophobicContact CG1-CB 4.05Å; E334-K338 WeakPolarHBondContact O-CG 3.39Å; E334-K338 PolarHBondContact O-N 3.22Å; G335-K338 PolarHBondContact O-N 2.93Å; E336-K338 VanDerWaalsContact C-N 3.31Å; E336-K338 PolarHBondContact O-N 2.72Å; K338-E341 WeakPolarHBondContact CD-OE2 3.44Å; K338-E341 IonicContact NZ-OE2 3.24Å; K338-E341 PolarHBondContact NZ-OE2 2.96Å; K338-E341 PolarHBondContact O-N 3.42Å; K338-L342 WeakPolarHBondContact O-CB 3.33Å; K338-L342 PolarHBondContact O-N 3.27Å
339	L	83.9	Confident	86.2	Confident	20 Å²	20	70 Å²	70	11%	0.105	32%	0.323	C	S	.	.	H	α-helix	trans	-63.8	-47.7	173.5	-177.4	63.9	0	0	0	111.6	I319 R323 G335 E336 E341 L342 I343	I319-L339 HydrophobicContact CD1-CB 4.24Å; I319-L339 HydrophobicContact CD1-CD1 4.26Å; I319-L339 HydrophobicContact CG1-CB 4.27Å; R323-L339 VanDerWaalsContact NH2-CD2 3.29Å; G335-L339 WeakPolarHBondContact O-CB 3.35Å; G335-L339 PolarHBondContact O-N 2.91Å; E336-L339 WeakPolarHBondContact O-CB 3.34Å; E336-L339 PolarHBondContact O-N 2.87Å; L339-E341 VanDerWaalsContact C-N 3.34Å; L339-E341 PolarHBondContact O-N 3.01Å; L339-L342 WeakPolarHBondContact O-CB 3.14Å; L339-L342 PolarHBondContact O-N 3.37Å; L339-L342 VanDerWaalsContact O-N 3.16Å; L339-I343 HydrophobicContact CD1-CD1 4.14Å; L339-I343 HydrophobicContact CD1-CG1 4.42Å; L339-I343 HydrophobicContact CG-CD1 3.88Å; L339-I343 WeakPolarHBondContact O-CG1 3.27Å; L339-I343 PolarHBondContact O-N 3.19Å
340	K	85.5	Confident	86.2	Confident	98 Å²	98	64.9 Å²	64.9	43%	0.426	30%	0.295	S	S	.	.	H	α-helix	trans	-60	-41.7	175.9	-78.3	170.2	168.5	155.8	0	112.4	E336 K337 L342 I343 S344	E336-K340 PolarHBondContact O-N 3.19Å; E336-K340 IonicContact OE1-NZ 3.41Å; E336-K340 PolarHBondContact OE1-NZ 2.79Å; K337-K340 PolarHBondContact O-N 2.76Å; K340-L342 PolarHBondContact O-N 3.45Å; K340-I343 PolarHBondContact O-N 2.89Å; K340-S344 WeakPolarHBondContact O-CB 3.32Å; K340-S344 PolarHBondContact O-N 3.35Å
341	E	89.3	Confident	86.2	Confident	54 Å²	54	56.8 Å²	56.8	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-46	173.9	-172.2	-173	159.4	0	0	111.4	R314 F315 K337 K338 L339 S344 I345	R314-E341 IonicContact CZ-OE1 2.92Å; R314-E341 IonicContact NE-OE1 3.09Å; R314-E341 PolarHBondContact NE-OE1 3.4Å; R314-E341 IonicContact NH2-OE1 2.65Å; R314-E341 PolarHBondContact NH2-OE1 3.4Å; F315-E341 HydrophobicContact CE1-CB 4.15Å; F315-E341 HydrophobicContact CE1-CG 3.99Å; F315-E341 HydrophobicContact CZ-CG 4.41Å; K337-E341 WeakPolarHBondContact O-CB 3.41Å; K337-E341 PolarHBondContact O-N 2.88Å; K338-E341 WeakPolarHBondContact CD-OE2 3.44Å; K338-E341 IonicContact NZ-OE2 3.24Å; K338-E341 PolarHBondContact NZ-OE2 2.96Å; K338-E341 PolarHBondContact O-N 3.42Å; L339-E341 VanDerWaalsContact C-N 3.34Å; L339-E341 PolarHBondContact O-N 3.01Å; E341-S344 PolarHBondContact O-N 3.11Å; E341-I345 WeakPolarHBondContact O-CG1 3.23Å; E341-I345 PolarHBondContact O-N 3.28Å
342	L	85.6	Confident	86.3	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-47.4	178.2	-180	61.9	0	0	0	112.2	L290 Y293 L305 F311 F315 I319 K338 L339 K340 S344 I345 V346	L290-L342 HydrophobicContact CD2-CD2 4.02Å; Y293-L342 HydrophobicContact CD1-CD2 4.42Å; Y293-L342 HydrophobicContact CE1-CD1 4.36Å; Y293-L342 HydrophobicContact CE1-CD2 4.43Å; Y293-L342 HydrophobicContact CE1-CG 4.25Å; L305-L342 HydrophobicContact CD1-CD1 4.38Å; L305-L342 HydrophobicContact CD2-CD1 3.85Å; F311-L342 HydrophobicContact CE2-CD1 3.79Å; F311-L342 HydrophobicContact CE2-CD2 4.26Å; F311-L342 HydrophobicContact CZ-CD2 4.33Å; F315-L342 HydrophobicContact CD1-CB 3.86Å; F315-L342 HydrophobicContact CD1-CD1 4.46Å; F315-L342 HydrophobicContact CE1-CB 4.04Å; F315-L342 HydrophobicContact CG-CD1 4.43Å; I319-L342 HydrophobicContact CD1-CD2 4.3Å; K338-L342 WeakPolarHBondContact O-CB 3.33Å; K338-L342 PolarHBondContact O-N 3.27Å; L339-L342 WeakPolarHBondContact O-CB 3.14Å; L339-L342 PolarHBondContact O-N 3.37Å; L339-L342 VanDerWaalsContact O-N 3.16Å; K340-L342 PolarHBondContact O-N 3.45Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S344 PolarHBondContact O-N 3.38Å; L342-I345 PolarHBondContact O-N 3.15Å; L342-V346 HydrophobicContact CD1-CG2 4.27Å; L342-V346 PolarHBondContact O-N 3.1Å
343	I	82.4	Confident	86.5	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-43.9	179	-70.2	169.5	0	0	0	110.3	L339 K340 I345 V346 N347 V603 E606	L339-I343 HydrophobicContact CD1-CD1 4.14Å; L339-I343 HydrophobicContact CD1-CG1 4.42Å; L339-I343 HydrophobicContact CG-CD1 3.88Å; L339-I343 WeakPolarHBondContact O-CG1 3.27Å; L339-I343 PolarHBondContact O-N 3.19Å; K340-I343 PolarHBondContact O-N 2.89Å; I343-I345 VanDerWaalsContact C-N 3.31Å; I343-I345 PolarHBondContact O-N 2.77Å; I343-V346 PolarHBondContact O-N 3.16Å; I343-N347 WeakPolarHBondContact CG2-ND2 3.49Å; I343-N347 VanDerWaalsContact O-CB 3.26Å; I343-N347 WeakPolarHBondContact O-CB 3.33Å; I343-N347 PolarHBondContact O-N 3.01Å; I343-V603 VanDerWaalsContact CD1-O 3.29Å; I343-V603 WeakPolarHBondContact CD1-O 2.95Å; I343-E606 HydrophobicContact CD1-CG 4.18Å
344	S	85.2	Confident	86.3	Confident	78 Å²	78	49.2 Å²	49.2	55%	0.545	24%	0.235	S	C	.	.	H	α-helix	trans	-58.8	-41.5	177.5	-172.5	0	0	0	0	112.6	K340 E341 L342	K340-S344 WeakPolarHBondContact O-CB 3.32Å; K340-S344 PolarHBondContact O-N 3.35Å; E341-S344 PolarHBondContact O-N 3.11Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S344 PolarHBondContact O-N 3.38Å
345	I	84.8	Confident	85.8	Confident	43 Å²	43	46 Å²	46	22%	0.221	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-46	177.3	-67.4	166.7	0	0	0	110.3	I304 L305 F315 E341 L342 I343 R348	I304-I345 HydrophobicContact CG2-CG2 3.43Å; I304-I345 VanDerWaalsContact CG2-CG2 3.43Å; L305-I345 HydrophobicContact CD2-CD1 4.48Å; L305-I345 HydrophobicContact CD2-CG2 3.93Å; F315-I345 HydrophobicContact CZ-CD1 4.12Å; E341-I345 WeakPolarHBondContact O-CG1 3.23Å; E341-I345 PolarHBondContact O-N 3.28Å; L342-I345 PolarHBondContact O-N 3.15Å; I343-I345 VanDerWaalsContact C-N 3.31Å; I343-I345 PolarHBondContact O-N 2.77Å; I345-R348 WeakPolarHBondContact O-CB 3.42Å; I345-R348 PolarHBondContact O-N 3.39Å
346	V	82.8	Confident	85.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-81.8	-28.5	-172.4	-176.8	0	0	0	0	113.3	Y293 V297 L342 I343 R348 C349 L350	Y293-V346 HydrophobicContact CD1-CG2 4.4Å; Y293-V346 HydrophobicContact CE1-CB 3.77Å; Y293-V346 HydrophobicContact CE1-CG1 3.81Å; Y293-V346 HydrophobicContact CE1-CG2 3.4Å; Y293-V346 HydrophobicContact CE2-CG1 4.23Å; Y293-V346 WeakPolarHBondContact OH-CB 3.36Å; Y293-V346 WeakPolarHBondContact OH-CG1 3.39Å; V297-V346 HydrophobicContact CG1-CG2 4.42Å; V297-V346 HydrophobicContact CG2-CG1 3.93Å; V297-V346 HydrophobicContact CG2-CG2 3.98Å; L342-V346 HydrophobicContact CD1-CG2 4.27Å; L342-V346 PolarHBondContact O-N 3.1Å; I343-V346 PolarHBondContact O-N 3.16Å; V346-R348 PolarHBondContact O-N 2.8Å; V346-C349 CarbonylContact O-C 3.54Å; V346-C349 PolarHBondContact O-N 2.96Å; V346-C349 PolarHBondContact O-SG 2.86Å; V346-C349 VanDerWaalsContact O-SG 3.34Å; V346-L350 HydrophobicContact CG1-CB 3.76Å; V346-L350 HydrophobicContact CG1-CD1 4.04Å; V346-L350 VanDerWaalsContact O-CB 3.26Å; V346-L350 WeakPolarHBondContact O-CB 3.26Å; V346-L350 PolarHBondContact O-N 3.47Å
347	N	83.4	Confident	85.8	Confident	68 Å²	68	48.8 Å²	48.8	36%	0.364	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.5	170.2	-76	-9.6	0	0	0	113.1	I343	I343-N347 WeakPolarHBondContact CG2-ND2 3.49Å; I343-N347 VanDerWaalsContact O-CB 3.26Å; I343-N347 WeakPolarHBondContact O-CB 3.33Å; I343-N347 PolarHBondContact O-N 3.01Å
348	R	87.5	Confident	85.2	Confident	119 Å²	119	42.2 Å²	42.2	45%	0.449	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-26.4	170.6	-64.4	-179.9	64	-179	-0.4	113.2	R130 I131 I345 V346	R130-R348 WeakPolarHBondContact CD-O 3.36Å; R130-R348 VanDerWaalsContact CG-O 3.31Å; R130-R348 WeakPolarHBondContact CG-O 3.47Å; R130-R348 PolarHBondContact NE-O 2.88Å; R130-R348 PolarHBondContact O-NH2 3.43Å; I131-R348 HydrophobicContact CD1-CB 3.79Å; I131-R348 HydrophobicContact CG1-CB 4.05Å; I345-R348 WeakPolarHBondContact O-CB 3.42Å; I345-R348 PolarHBondContact O-N 3.39Å; V346-R348 PolarHBondContact O-N 2.8Å
349	C	88.2	Confident	84.9	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.007	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-6.8	179.9	64	0	0	0	0	113.9	I131 C137 I138 V346	I131-C349 HydrophobicContact CD1-CB 3.91Å; C137-C349 CarbonylContact C-O 3.58Å; C137-C349 WeakPolarHBondContact CA-O 3.34Å; I138-C349 PolarHBondContact N-O 2.74Å; V346-C349 CarbonylContact O-C 3.54Å; V346-C349 PolarHBondContact O-N 2.96Å; V346-C349 PolarHBondContact O-SG 2.86Å; V346-C349 VanDerWaalsContact O-SG 3.34Å
350	L	88.4	Confident	84.9	Confident	12 Å²	12	50.6 Å²	50.6	6%	0.063	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.7	179.8	-174.1	151.6	0	0	0	110.9	F121 I138 A140 I286 Y293 V346 R352	F121-L350 VanDerWaalsContact CZ-C 3.43Å; F121-L350 WeakPolarHBondContact CZ-O 3.44Å; I138-L350 HydrophobicContact CB-CB 4.23Å; I138-L350 HydrophobicContact CB-CD1 4.35Å; I138-L350 HydrophobicContact CB-CG 4.21Å; I138-L350 HydrophobicContact CG2-CD1 3.96Å; I138-L350 HydrophobicContact CG2-CG 4.1Å; I138-L350 VanDerWaalsContact O-CA 3.31Å; I138-L350 WeakPolarHBondContact O-CA 3.22Å; A140-L350 HydrophobicContact CB-CD1 4.39Å; A140-L350 HydrophobicContact CB-CD2 4.27Å; A140-L350 HydrophobicContact CB-CG 4.28Å; I286-L350 HydrophobicContact CD1-CD1 4.13Å; Y293-L350 HydrophobicContact CE2-CD1 4.18Å; V346-L350 HydrophobicContact CG1-CB 3.76Å; V346-L350 HydrophobicContact CG1-CD1 4.04Å; V346-L350 VanDerWaalsContact O-CB 3.26Å; V346-L350 WeakPolarHBondContact O-CB 3.26Å; V346-L350 PolarHBondContact O-N 3.47Å; L350-R352 HydrophobicContact CD2-CB 3.98Å
351	I	89.7	Confident	84.8	Confident	21 Å²	21	51.1 Å²	51.1	11%	0.108	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130	168.4	-173.3	167.3	0	0	0	109.5	F121 I138 M139 A140	F121-I351 HydrophobicContact CB-CD1 3.91Å; F121-I351 HydrophobicContact CD1-CB 3.78Å; F121-I351 HydrophobicContact CD1-CD1 4.37Å; F121-I351 HydrophobicContact CD1-CG2 3.72Å; F121-I351 HydrophobicContact CD2-CB 4.04Å; F121-I351 HydrophobicContact CD2-CD1 3.94Å; F121-I351 HydrophobicContact CD2-CG1 4.37Å; F121-I351 HydrophobicContact CE1-CB 3.68Å; F121-I351 HydrophobicContact CE1-CG2 3.82Å; F121-I351 HydrophobicContact CE2-CB 3.9Å; F121-I351 HydrophobicContact CG-CB 4Å; F121-I351 HydrophobicContact CG-CD1 3.84Å; F121-I351 HydrophobicContact CG-CG1 4.46Å; F121-I351 HydrophobicContact CG-CG2 4.28Å; F121-I351 HydrophobicContact CZ-CB 3.78Å; F121-I351 HydrophobicContact CZ-CG2 4.43Å; I138-I351 PolarHBondContact O-N 3.38Å; M139-I351 HydrophobicContact CB-CG2 4.21Å; M139-I351 HydrophobicContact CG-CG2 4.06Å; A140-I351 PolarHBondContact N-O 3.34Å
352	R	86.7	Confident	84.6	Confident	50 Å²	50	49.5 Å²	49.5	19%	0.189	25%	0.249	C	C	.	.			trans	-135.8	135	174.2	178.5	176	-175.3	-168.1	-2.1	109.3	A140 L350 S600 D605	A140-R352 HydrophobicContact CB-CB 4.26Å; A140-R352 WeakPolarHBondContact O-CG 3.44Å; L350-R352 HydrophobicContact CD2-CB 3.98Å; R352-S600 PolarHBondContact NH1-O 2.74Å; R352-S600 VanDerWaalsContact NH1-O 3.12Å; R352-D605 IonicContact CZ-OD2 3.62Å; R352-D605 IonicContact NH1-OD2 3.02Å; R352-D605 PolarHBondContact NH1-OD2 3.4Å
353	R	86.8	Confident	84.8	Confident	30 Å²	30	50.9 Å²	50.9	11%	0.113	26%	0.258	C	S	.	.			trans	-137.9	146.1	174.2	-66.7	163.5	-72.6	-157.5	4.9	108.9	H114 D141 E142 L145 I357	H114-R353 PolarHBondContact O-NH1 3.23Å; D141-R353 VanDerWaalsContact CG-NH2 3.3Å; D141-R353 IonicContact OD1-CZ 3.36Å; D141-R353 PolarHBondContact OD1-N 2.78Å; D141-R353 IonicContact OD1-NE 2.68Å; D141-R353 PolarHBondContact OD1-NE 3.01Å; D141-R353 IonicContact OD1-NH2 3.86Å; D141-R353 PolarHBondContact OD1-NH2 3.31Å; D141-R353 IonicContact OD2-CZ 3.91Å; D141-R353 VanDerWaalsContact OD2-CZ 3.29Å; D141-R353 IonicContact OD2-NE 2.71Å; D141-R353 PolarHBondContact OD2-NE 3.05Å; D141-R353 IonicContact OD2-NH2 3.21Å; D141-R353 PolarHBondContact OD2-NH2 3.14Å; E142-R353 PolarHBondContact N-O 3.4Å; L145-R353 HydrophobicContact CD1-CB 3.77Å; L145-R353 WeakPolarHBondContact CD1-O 3.4Å; R353-I357 HydrophobicContact CB-CD1 4.22Å
354	T	84.7	Confident	85.3	Confident	50 Å²	50	55.2 Å²	55.2	31%	0.307	28%	0.284	S	S	.	.			trans	-86.2	161.2	179.8	68.5	0	0	0	0	111.6	D356 I357	T354-D356 WeakPolarHBondContact CB-OD2 3.5Å; T354-D356 PolarHBondContact O-N 3.37Å; T354-D356 PolarHBondContact OG1-OD2 3.47Å; T354-I357 WeakPolarHBondContact O-CG1 3.38Å
355	S	79.9	Confident	85.6	Confident	20 Å²	20	55.3 Å²	55.3	14%	0.14	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-70.9	-10.7	178.8	57.3	0	0	0	0	113.6	E142 I357 L358	E142-S355 WeakPolarHBondContact OE2-CB 3.47Å; E142-S355 PolarHBondContact OE2-N 2.98Å; E142-S355 PolarHBondContact OE2-OG 2.75Å; S355-I357 PolarHBondContact O-N 2.89Å; S355-L358 VanDerWaalsContact O-CB 3.25Å; S355-L358 WeakPolarHBondContact O-CB 3.49Å; S355-L358 PolarHBondContact O-N 3.35Å
356	D	81.9	Confident	86	Confident	103 Å²	103	56 Å²	56	55%	0.551	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-59.8	-28.7	177.7	-53.5	-54.9	0	0	0	112.3	T354 L358 S359	T354-D356 WeakPolarHBondContact CB-OD2 3.5Å; T354-D356 PolarHBondContact O-N 3.37Å; T354-D356 PolarHBondContact OG1-OD2 3.47Å; D356-L358 PolarHBondContact O-N 3.34Å; D356-L358 VanDerWaalsContact O-N 3.17Å; D356-S359 VanDerWaalsContact O-CB 3.24Å; D356-S359 WeakPolarHBondContact O-CB 3.26Å; D356-S359 PolarHBondContact O-N 3.41Å; D356-S359 PolarHBondContact O-OG 3.37Å
357	I	85.1	Confident	86.5	Confident	45 Å²	45	60 Å²	60	23%	0.231	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-62.2	-24.2	175.9	71.1	-173.1	0	0	0	112.7	H114 L145 R353 T354 S355 S359	H114-I357 HydrophobicContact CB-CD1 3.7Å; H114-I357 VanDerWaalsContact CG-CD1 3.5Å; L145-I357 HydrophobicContact CD1-CD1 3.82Å; L145-I357 HydrophobicContact CD2-CD1 3.6Å; L145-I357 HydrophobicContact CD2-CG1 3.61Å; L145-I357 HydrophobicContact CG-CD1 4.33Å; R353-I357 HydrophobicContact CB-CD1 4.22Å; T354-I357 WeakPolarHBondContact O-CG1 3.38Å; S355-I357 PolarHBondContact O-N 2.89Å; I357-S359 VanDerWaalsContact C-N 3.3Å
358	L	79.7	Confident	87.1	Confident	17 Å²	17	60.7 Å²	60.7	9%	0.089	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-73.5	-23	176.5	-60.8	177.1	0	0	0	112.3	L145 S355 D356 K360 Y361 L362 W566	L145-L358 HydrophobicContact CD2-CD1 3.83Å; L145-L358 HydrophobicContact CD2-CD2 3.67Å; L145-L358 HydrophobicContact CD2-CG 3.5Å; S355-L358 VanDerWaalsContact O-CB 3.25Å; S355-L358 WeakPolarHBondContact O-CB 3.49Å; S355-L358 PolarHBondContact O-N 3.35Å; D356-L358 PolarHBondContact O-N 3.34Å; D356-L358 VanDerWaalsContact O-N 3.17Å; L358-K360 PolarHBondContact O-N 3.45Å; L358-K360 VanDerWaalsContact O-N 3.12Å; L358-Y361 PolarHBondContact O-N 3.4Å; L358-L362 HydrophobicContact CB-CD1 3.86Å; L358-L362 HydrophobicContact CB-CG 4.2Å; L358-L362 HydrophobicContact CD1-CD1 4.08Å; L358-L362 HydrophobicContact CG-CD1 4.43Å; L358-L362 WeakPolarHBondContact O-CB 3.35Å; L358-L362 PolarHBondContact O-N 3Å; L358-W566 HydrophobicContact CB-CH2 3.67Å; L358-W566 HydrophobicContact CB-CZ2 4.17Å; L358-W566 HydrophobicContact CB-CZ3 4.14Å; L358-W566 HydrophobicContact CD1-CH2 4.44Å; L358-W566 HydrophobicContact CD1-CZ3 4.06Å
359	S	81.5	Confident	87.5	Confident	76 Å²	76	58.2 Å²	58.2	53%	0.531	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-58.5	-25.9	178.9	68.2	0	0	0	0	112.9	D356 I357 Y361	D356-S359 VanDerWaalsContact O-CB 3.24Å; D356-S359 WeakPolarHBondContact O-CB 3.26Å; D356-S359 PolarHBondContact O-N 3.41Å; D356-S359 PolarHBondContact O-OG 3.37Å; I357-S359 VanDerWaalsContact C-N 3.3Å; S359-Y361 VanDerWaalsContact C-N 3.25Å; S359-Y361 PolarHBondContact O-N 2.93Å
360	K	83.9	Confident	87.8	Confident	168 Å²	168	60.1 Å²	60.1	73%	0.73	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-69.5	-20.7	175.7	-62.6	-177.4	-180	180	0	113.5	L358	L358-K360 PolarHBondContact O-N 3.45Å; L358-K360 VanDerWaalsContact O-N 3.12Å
361	Y	82.7	Confident	88.1	Confident	109 Å²	109	61.7 Å²	61.7	43%	0.427	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-23.8	-170.1	-53.9	-69.7	0	0	0	114	L358 S359	L358-Y361 PolarHBondContact O-N 3.4Å; S359-Y361 VanDerWaalsContact C-N 3.25Å; S359-Y361 PolarHBondContact O-N 2.93Å
362	L	85.5	Confident	88.4	Confident	20 Å²	20	60.9 Å²	60.9	11%	0.105	32%	0.315	C	S	.	.	S	Bend	trans	-99.8	156.4	179.1	-64.8	-175.2	0	0	0	111.2	L358 W566	L358-L362 HydrophobicContact CB-CD1 3.86Å; L358-L362 HydrophobicContact CB-CG 4.2Å; L358-L362 HydrophobicContact CD1-CD1 4.08Å; L358-L362 HydrophobicContact CG-CD1 4.43Å; L358-L362 WeakPolarHBondContact O-CB 3.35Å; L358-L362 PolarHBondContact O-N 3Å; L362-W566 HydrophobicContact CB-CZ2 3.94Å; L362-W566 HydrophobicContact CD1-CD2 3.89Å; L362-W566 HydrophobicContact CD1-CE3 4.33Å; L362-W566 HydrophobicContact CD1-CG 4.31Å; L362-W566 HydrophobicContact CD1-CZ2 4.04Å
363	P	90.6	Very high	88.8	Confident	32 Å²	32	65.9 Å²	65.9	21%	0.208	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-58	161.1	170.7	-24.5	35.8	0	0	0	112.4	K365 W566 Q570 K572	P363-K365 PolarHBondContact O-N 2.69Å; P363-W566 PolarHBondContact O-NE1 3.3Å; P363-Q570 WeakPolarHBondContact CD-O 3.46Å; P363-Q570 HydrophobicContact CG-CG 4.17Å; P363-Q570 WeakPolarHBondContact CG-O 3.38Å; P363-K572 VanDerWaalsContact CB-O 3.28Å; P363-K572 WeakPolarHBondContact CB-O 3.31Å
364	V	92.1	Very high	89.2	Confident	97 Å²	97	65.4 Å²	65.4	59%	0.588	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-55.8	132.9	179.1	-178.5	0	0	0	0	110.4	I366 T573 C574	V364-I366 HydrophobicContact CG1-CG1 4.1Å; V364-T573 HydrophobicContact CB-CG2 4.23Å; V364-T573 WeakPolarHBondContact O-CA 3.36Å; V364-T573 WeakPolarHBondContact O-CG2 3.37Å; V364-C574 PolarHBondContact O-N 3.4Å
365	K	91.8	Very high	89.7	Confident	80 Å²	80	63.8 Å²	63.8	35%	0.348	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.9	171.7	-179.3	-172.7	65	170	0	108.2	P363 W566 I576	P363-K365 PolarHBondContact O-N 2.69Å; K365-W566 HydrophobicContact CB-CD2 4.04Å; K365-W566 HydrophobicContact CB-CG 4.14Å; K365-W566 HydrophobicContact CB-CZ2 4.26Å; K365-W566 HydrophobicContact CD-CB 4.49Å; K365-W566 HydrophobicContact CD-CD2 3.88Å; K365-W566 HydrophobicContact CD-CE3 3.83Å; K365-W566 HydrophobicContact CD-CG 4.19Å; K365-W566 HydrophobicContact CD-CZ3 4.29Å; K365-W566 HydrophobicContact CG-CD2 4.31Å; K365-W566 HydrophobicContact CG-CG 4.28Å; K365-I576 HydrophobicContact CG-CG1 4.39Å
366	I	94.2	Very high	90.4	Very high	59 Å²	59	68.1 Å²	68.1	30%	0.303	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.6	174.7	-61.1	172.3	0	0	0	107.3	V364 Q368 T573 C574 Y575 I576	V364-I366 HydrophobicContact CG1-CG1 4.1Å; I366-Q368 HydrophobicContact CG2-CG 3.99Å; I366-T573 HydrophobicContact CD1-CG2 4.05Å; I366-T573 HydrophobicContact CG1-CG2 4.48Å; I366-C574 PolarHBondContact N-O 3.49Å; I366-Y575 HydrophobicContact CB-CD1 4.14Å; I366-Y575 HydrophobicContact CD1-CD1 4.16Å; I366-Y575 HydrophobicContact CD1-CE1 3.65Å; I366-Y575 HydrophobicContact CG2-CD1 4.41Å; I366-Y575 WeakPolarHBondContact O-CA 3.4Å; I366-I576 PolarHBondContact O-N 2.73Å
367	E	93.2	Very high	91	Very high	82 Å²	82	64.3 Å²	64.3	38%	0.383	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.3	173.9	-172.9	173.8	164.3	0	0	109.2	I576 R578	E367-I576 WeakPolarHBondContact CA-O 3.06Å; E367-I576 HydrophobicContact CG-CB 4.44Å; E367-I576 HydrophobicContact CG-CG2 4.5Å; E367-R578 WeakPolarHBondContact OE1-CD 3.16Å; E367-R578 IonicContact OE1-CZ 3.28Å; E367-R578 IonicContact OE1-NE 3.55Å; E367-R578 IonicContact OE1-NH1 2.73Å; E367-R578 PolarHBondContact OE1-NH1 3.36Å
368	Q	95.1	Very high	91.5	Very high	84 Å²	84	62.2 Å²	62.2	39%	0.393	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	115.4	-178.6	-69.6	175.9	-42.5	0	0	109.1	I366 V370 I576 Y577 R578	I366-Q368 HydrophobicContact CG2-CG 3.99Å; Q368-V370 HydrophobicContact CB-CG2 4.44Å; Q368-I576 PolarHBondContact N-O 3.39Å; Q368-Y577 HydrophobicContact CB-CD1 4.35Å; Q368-Y577 CarbonylContact O-C 3.58Å; Q368-Y577 WeakPolarHBondContact O-CA 3.34Å; Q368-R578 PolarHBondContact O-N 3.19Å
369	V	94.9	Very high	92.2	Very high	67 Å²	67	63.1 Å²	63.1	41%	0.406	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	119.8	167.4	-177.8	0	0	0	0	107.5	R578 I580 L590	V369-R578 HydrophobicContact CG2-CB 4.38Å; V369-I580 HydrophobicContact CG1-CD1 3.57Å; V369-I580 HydrophobicContact CG1-CG1 4.31Å; V369-L590 HydrophobicContact CG1-CD2 3.87Å
370	V	96.2	Very high	92.8	Very high	40 Å²	40	63.7 Å²	63.7	24%	0.242	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	108	-175.9	-174	0	0	0	0	108.4	Q368 C372 T458 Y577 R578 L579 I580	Q368-V370 HydrophobicContact CB-CG2 4.44Å; V370-C372 PolarHBondContact O-N 3.38Å; V370-T458 HydrophobicContact CG1-CG2 4.01Å; V370-Y577 HydrophobicContact CG2-CD1 4.45Å; V370-R578 PolarHBondContact N-O 2.86Å; V370-L579 HydrophobicContact CB-CD2 3.78Å; V370-L579 HydrophobicContact CG1-CD2 4.26Å; V370-L579 HydrophobicContact CG2-CD2 4.19Å; V370-I580 PolarHBondContact O-N 2.72Å
371	C	94.9	Very high	93.3	Very high	46 Å²	46	55.7 Å²	55.7	31%	0.311	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	114	174.7	-60.1	0	0	0	0	109.2	I580	C371-I580 CarbonylContact C-O 3.56Å; C371-I580 WeakPolarHBondContact CA-O 3.34Å
372	C	95.2	Very high	93.8	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.027	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.9	-178.3	-57.7	0	0	0	0	108.8	V370 K455 T458 I580 S581 T582	V370-C372 PolarHBondContact O-N 3.38Å; C372-K455 HydrophobicContact CB-CG 3.85Å; C372-T458 PolarHBondContact SG-OG1 2.89Å; C372-I580 PolarHBondContact N-O 3.48Å; C372-S581 CarbonylContact O-C 3.56Å; C372-S581 WeakPolarHBondContact O-CA 3.41Å; C372-T582 VanDerWaalsContact C-OG1 3.24Å; C372-T582 PolarHBondContact N-OG1 3.38Å; C372-T582 PolarHBondContact O-N 2.92Å; C372-T582 PolarHBondContact O-OG1 2.8Å; C372-T582 VanDerWaalsContact O-OG1 3.04Å
373	K	94.4	Very high	94.2	Very high	155 Å²	155	53.3 Å²	53.3	67%	0.674	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-67.4	140.4	173.3	-66	-170.4	175.8	-168.2	0	110.3	G454	K373-G454 WeakPolarHBondContact O-CA 3.45Å
374	L	95	Very high	94.2	Very high	19 Å²	19	55.4 Å²	55.4	10%	0.099	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-65.8	151.8	172	-71.5	-178.7	0	0	0	110.8	Q378 I379 Y382 T584 L625	L374-Q378 HydrophobicContact CB-CB 4.01Å; L374-Q378 HydrophobicContact CD1-CB 4.47Å; L374-Q378 HydrophobicContact CD2-CB 3.99Å; L374-Q378 HydrophobicContact CD2-CG 4.41Å; L374-Q378 HydrophobicContact CG-CB 4.39Å; L374-I379 HydrophobicContact CB-CD1 4.34Å; L374-I379 HydrophobicContact CB-CG1 3.69Å; L374-I379 HydrophobicContact CD1-CG1 4.27Å; L374-Y382 HydrophobicContact CD1-CD2 4.2Å; L374-T584 HydrophobicContact CD1-CG2 3.57Å; L374-T584 HydrophobicContact CD2-CG2 4.19Å; L374-T584 HydrophobicContact CG-CG2 3.9Å; L374-L625 HydrophobicContact CD1-CD1 3.88Å
375	T	95.7	Very high	94.2	Very high	16 Å²	16	51 Å²	51	10%	0.098	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-75.6	160	172.5	63.7	0	0	0	0	111.2	L377 Q378 I379 Q451 L452	T375-L377 PolarHBondContact O-N 3.34Å; T375-Q378 WeakPolarHBondContact O-CB 3.26Å; T375-Q378 PolarHBondContact O-N 2.84Å; T375-Q378 WeakPolarHBondContact OG1-CB 3.09Å; T375-Q378 VanDerWaalsContact OG1-CG 3.27Å; T375-Q378 WeakPolarHBondContact OG1-CG 3.11Å; T375-Q378 PolarHBondContact OG1-N 3.23Å; T375-Q378 PolarHBondContact OG1-OE1 3.16Å; T375-I379 WeakPolarHBondContact O-CG1 3.25Å; T375-I379 PolarHBondContact O-N 3.43Å; T375-Q451 WeakPolarHBondContact CG2-O 3.45Å; T375-L452 WeakPolarHBondContact CG2-O 3.31Å; T375-L452 PolarHBondContact OG1-O 3.25Å
376	P	94.6	Very high	94.1	Very high	112 Å²	112	48.9 Å²	48.9	73%	0.727	25%	0.248	S	C	*	.	H	α-helix	trans	-53.6	-41.5	175.9	-27.4	35.5	0	0	0	112.9	I379 E380	P376-I379 PolarHBondContact O-N 3.21Å; P376-E380 PolarHBondContact O-N 3.19Å; P376-E380 VanDerWaalsContact O-N 3.11Å
377	L	94.2	Very high	93.8	Very high	23 Å²	23	54.1 Å²	54.1	12%	0.12	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-46.8	174.5	176	58.3	0	0	0	112	T375 I379 E380 L381 P418 L438 F439 L452	T375-L377 PolarHBondContact O-N 3.34Å; L377-I379 VanDerWaalsContact C-N 3.34Å; L377-I379 PolarHBondContact O-N 3.15Å; L377-E380 PolarHBondContact O-N 3.42Å; L377-L381 HydrophobicContact CD1-CD1 3.7Å; L377-L381 HydrophobicContact CD1-CG 4.05Å; L377-L381 HydrophobicContact CG-CD1 3.79Å; L377-L381 WeakPolarHBondContact O-CB 3.44Å; L377-L381 VanDerWaalsContact O-CG 3.32Å; L377-L381 WeakPolarHBondContact O-CG 3.4Å; L377-L381 PolarHBondContact O-N 3.34Å; L377-P418 HydrophobicContact CD2-CB 4.22Å; L377-P418 HydrophobicContact CD2-CG 4.15Å; L377-P418 HydrophobicContact CG-CG 4.4Å; L377-L438 HydrophobicContact CD1-CB 3.89Å; L377-L438 WeakPolarHBondContact CD1-O 3.5Å; L377-F439 HydrophobicContact CD2-CD1 4.3Å; L377-F439 HydrophobicContact CD2-CE1 4.47Å; L377-L452 HydrophobicContact CD2-CB 4.46Å; L377-L452 HydrophobicContact CD2-CD1 4.49Å; L377-L452 HydrophobicContact CD2-CD2 4.02Å
378	Q	95.4	Very high	93.5	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-42.4	178.6	-77.3	176.7	-54.5	0	0	111.8	L374 T375 L381 Y382 L414 C415 P418 S453 G454	L374-Q378 HydrophobicContact CB-CB 4.01Å; L374-Q378 HydrophobicContact CD1-CB 4.47Å; L374-Q378 HydrophobicContact CD2-CB 3.99Å; L374-Q378 HydrophobicContact CD2-CG 4.41Å; L374-Q378 HydrophobicContact CG-CB 4.39Å; T375-Q378 WeakPolarHBondContact O-CB 3.26Å; T375-Q378 PolarHBondContact O-N 2.84Å; T375-Q378 WeakPolarHBondContact OG1-CB 3.09Å; T375-Q378 VanDerWaalsContact OG1-CG 3.27Å; T375-Q378 WeakPolarHBondContact OG1-CG 3.11Å; T375-Q378 PolarHBondContact OG1-N 3.23Å; T375-Q378 PolarHBondContact OG1-OE1 3.16Å; Q378-L381 PolarHBondContact O-N 2.98Å; Q378-Y382 VanDerWaalsContact O-CB 3.22Å; Q378-Y382 WeakPolarHBondContact O-CB 3.48Å; Q378-Y382 PolarHBondContact O-N 2.9Å; Q378-L414 HydrophobicContact CG-CD1 4.4Å; Q378-L414 PolarHBondContact NE2-O 3.37Å; Q378-C415 PolarHBondContact NE2-O 2.98Å; Q378-P418 HydrophobicContact CG-CG 3.7Å; Q378-S453 PolarHBondContact NE2-OG 3.07Å; Q378-G454 VanDerWaalsContact OE1-N 3.12Å
379	I	95.1	Very high	92.7	Very high	36 Å²	36	49.5 Å²	49.5	19%	0.185	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-48.8	179.1	-67.7	168.9	0	0	0	110.2	L374 T375 P376 L377 Y382 K383 L625 E627	L374-I379 HydrophobicContact CB-CD1 4.34Å; L374-I379 HydrophobicContact CB-CG1 3.69Å; L374-I379 HydrophobicContact CD1-CG1 4.27Å; T375-I379 WeakPolarHBondContact O-CG1 3.25Å; T375-I379 PolarHBondContact O-N 3.43Å; P376-I379 PolarHBondContact O-N 3.21Å; L377-I379 VanDerWaalsContact C-N 3.34Å; L377-I379 PolarHBondContact O-N 3.15Å; I379-Y382 WeakPolarHBondContact O-CB 3.34Å; I379-Y382 PolarHBondContact O-N 3.27Å; I379-K383 HydrophobicContact CG2-CD 4.11Å; I379-K383 WeakPolarHBondContact O-CG 3.45Å; I379-K383 PolarHBondContact O-N 2.93Å; I379-L625 HydrophobicContact CG2-CD2 4.35Å; I379-E627 HydrophobicContact CG2-CG 4.31Å; I379-E627 WeakPolarHBondContact CG2-OE2 3.47Å
380	E	93.9	Very high	92	Very high	88 Å²	88	50.6 Å²	50.6	41%	0.411	25%	0.248	S	C	.	.	H	α-helix	trans	-66.1	-42.8	-177.7	-166.6	55.6	-148.1	0	0	112	P376 L377 Y382 K383 R384 L438	P376-E380 PolarHBondContact O-N 3.19Å; P376-E380 VanDerWaalsContact O-N 3.11Å; L377-E380 PolarHBondContact O-N 3.42Å; E380-Y382 VanDerWaalsContact C-N 3.31Å; E380-Y382 PolarHBondContact O-N 3.11Å; E380-K383 PolarHBondContact O-N 3.15Å; E380-R384 WeakPolarHBondContact O-CB 3.31Å; E380-R384 PolarHBondContact O-N 3.33Å; E380-L438 HydrophobicContact CB-CD1 4.32Å; E380-L438 HydrophobicContact CG-CD1 3.8Å; E380-L438 HydrophobicContact CG-CD2 3.69Å; E380-L438 HydrophobicContact CG-CG 4.37Å
381	L	93.9	Very high	90.7	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-40.1	173.2	-73.7	167.2	0	0	0	112	L377 Q378 F385 L414 P418 I421 A435 L438 F439	L377-L381 HydrophobicContact CD1-CD1 3.7Å; L377-L381 HydrophobicContact CD1-CG 4.05Å; L377-L381 HydrophobicContact CG-CD1 3.79Å; L377-L381 WeakPolarHBondContact O-CB 3.44Å; L377-L381 VanDerWaalsContact O-CG 3.32Å; L377-L381 WeakPolarHBondContact O-CG 3.4Å; L377-L381 PolarHBondContact O-N 3.34Å; Q378-L381 PolarHBondContact O-N 2.98Å; L381-F385 VanDerWaalsContact O-CB 3.25Å; L381-F385 WeakPolarHBondContact O-CB 3.27Å; L381-F385 PolarHBondContact O-N 3.15Å; L381-L414 HydrophobicContact CB-CD1 3.82Å; L381-L414 HydrophobicContact CB-CD2 3.95Å; L381-L414 HydrophobicContact CD1-CD1 3.81Å; L381-L414 HydrophobicContact CG-CD1 4.48Å; L381-P418 HydrophobicContact CD1-CB 4.08Å; L381-P418 HydrophobicContact CD1-CG 4.46Å; L381-I421 HydrophobicContact CD1-CD1 4.09Å; L381-I421 HydrophobicContact CD2-CD1 4.48Å; L381-A435 HydrophobicContact CD2-CB 3.76Å; L381-L438 HydrophobicContact CD2-CB 4.42Å; L381-L438 HydrophobicContact CD2-CD1 3.8Å; L381-L438 HydrophobicContact CG-CD1 4.14Å; L381-F439 HydrophobicContact CD1-CE2 4.2Å; L381-F439 HydrophobicContact CD1-CZ 4.15Å; L381-F439 HydrophobicContact CD2-CE2 4.19Å
382	Y	94.4	Very high	89.4	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.2	-47.3	-179.8	-155.8	-66.3	0	0	0	110.7	L374 Q378 I379 E380 F385 L386 L411 L414 T584 I585 L625	L374-Y382 HydrophobicContact CD1-CD2 4.2Å; Q378-Y382 VanDerWaalsContact O-CB 3.22Å; Q378-Y382 WeakPolarHBondContact O-CB 3.48Å; Q378-Y382 PolarHBondContact O-N 2.9Å; I379-Y382 WeakPolarHBondContact O-CB 3.34Å; I379-Y382 PolarHBondContact O-N 3.27Å; E380-Y382 VanDerWaalsContact C-N 3.31Å; E380-Y382 PolarHBondContact O-N 3.11Å; Y382-F385 PolarHBondContact O-N 2.95Å; Y382-L386 HydrophobicContact CD1-CD1 3.69Å; Y382-L386 HydrophobicContact CD1-CG 3.88Å; Y382-L386 HydrophobicContact CE1-CD1 3.69Å; Y382-L386 HydrophobicContact CE1-CD2 4.23Å; Y382-L386 HydrophobicContact CE1-CG 3.95Å; Y382-L386 WeakPolarHBondContact O-CG 3.41Å; Y382-L386 PolarHBondContact O-N 2.85Å; Y382-L411 HydrophobicContact CD1-CD2 3.98Å; Y382-L411 HydrophobicContact CD2-CD2 3.97Å; Y382-L411 HydrophobicContact CE1-CD1 4.26Å; Y382-L411 HydrophobicContact CE1-CD2 3.75Å; Y382-L411 HydrophobicContact CE2-CB 4.37Å; Y382-L411 HydrophobicContact CE2-CD2 3.75Å; Y382-L411 HydrophobicContact CG-CD2 4.07Å; Y382-L414 HydrophobicContact CD2-CD2 3.89Å; Y382-L414 HydrophobicContact CG-CD2 4.18Å; Y382-T584 HydrophobicContact CE2-CG2 4.17Å; Y382-I585 PolarHBondContact OH-N 3.1Å; Y382-L625 HydrophobicContact CD1-CB 4.08Å; Y382-L625 HydrophobicContact CD1-CD1 4.31Å; Y382-L625 HydrophobicContact CD1-CD2 4.06Å; Y382-L625 HydrophobicContact CD1-CG 4.39Å; Y382-L625 HydrophobicContact CE1-CB 4.13Å; Y382-L625 HydrophobicContact CE1-CD1 4.45Å; Y382-L625 HydrophobicContact CG-CD1 4.4Å; Y382-L625 HydrophobicContact CG-CD2 4.22Å
383	K	92.9	Very high	88.1	Confident	79 Å²	79	53.7 Å²	53.7	34%	0.343	26%	0.259	S	S	.	.	H	α-helix	trans	-60	-47.8	176.6	-74.4	176.5	179.7	175	0	111.7	I379 E380 F385 L386 K387 L625 E627	I379-K383 HydrophobicContact CG2-CD 4.11Å; I379-K383 WeakPolarHBondContact O-CG 3.45Å; I379-K383 PolarHBondContact O-N 2.93Å; E380-K383 PolarHBondContact O-N 3.15Å; K383-F385 VanDerWaalsContact C-N 3.34Å; K383-F385 PolarHBondContact O-N 3.09Å; K383-L386 PolarHBondContact O-N 3.35Å; K383-K387 WeakPolarHBondContact O-CB 3.09Å; K383-K387 PolarHBondContact O-N 3.01Å; K383-L625 HydrophobicContact CG-CD2 4.08Å; K383-E627 WeakPolarHBondContact CE-OE1 3.3Å; K383-E627 WeakPolarHBondContact CE-OE2 3.36Å; K383-E627 IonicContact NZ-OE1 2.69Å; K383-E627 PolarHBondContact NZ-OE1 3.25Å; K383-E627 IonicContact NZ-OE2 2.76Å; K383-E627 PolarHBondContact NZ-OE2 3.34Å
384	R	91.4	Very high	86.6	Confident	76 Å²	76	49 Å²	49	29%	0.287	24%	0.243	S	C	.	.	H	α-helix	trans	-61.5	-44.7	179.7	-169.6	167.6	-174.8	144.5	-0.8	111.3	E380 K387 Q388 E433 G434	E380-R384 WeakPolarHBondContact O-CB 3.31Å; E380-R384 PolarHBondContact O-N 3.33Å; R384-K387 PolarHBondContact O-N 3.29Å; R384-Q388 WeakPolarHBondContact O-CB 3.25Å; R384-Q388 PolarHBondContact O-N 2.87Å; R384-E433 PolarHBondContact NE-O 2.92Å; R384-E433 PolarHBondContact NH2-O 2.93Å; R384-G434 VanDerWaalsContact CZ-C 3.44Å; R384-G434 PolarHBondContact NH1-O 3.12Å; R384-G434 VanDerWaalsContact NH1-O 3.1Å; R384-G434 VanDerWaalsContact NH2-C 3.32Å; R384-G434 VanDerWaalsContact NH2-CA 3.31Å; R384-G434 PolarHBondContact NH2-O 3.38Å
385	F	91.6	Very high	84.9	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-49.1	175.8	-178.1	-92.7	0	0	0	112.2	L381 Y382 K383 K387 Q388 A389 L411 G431 F432	L381-F385 VanDerWaalsContact O-CB 3.25Å; L381-F385 WeakPolarHBondContact O-CB 3.27Å; L381-F385 PolarHBondContact O-N 3.15Å; Y382-F385 PolarHBondContact O-N 2.95Å; K383-F385 VanDerWaalsContact C-N 3.34Å; K383-F385 PolarHBondContact O-N 3.09Å; F385-K387 VanDerWaalsContact C-N 3.29Å; F385-K387 PolarHBondContact O-N 2.62Å; F385-Q388 PolarHBondContact O-N 3.32Å; F385-A389 HydrophobicContact CD1-CB 4.46Å; F385-A389 HydrophobicContact CD2-CB 4.43Å; F385-A389 HydrophobicContact CE1-CB 4.04Å; F385-A389 HydrophobicContact CE2-CB 3.99Å; F385-A389 HydrophobicContact CZ-CB 3.76Å; F385-A389 VanDerWaalsContact O-CB 3.26Å; F385-A389 WeakPolarHBondContact O-CB 3.24Å; F385-A389 PolarHBondContact O-N 3.32Å; F385-L411 HydrophobicContact CD1-CD1 4.43Å; F385-L411 HydrophobicContact CD1-CD2 3.45Å; F385-L411 VanDerWaalsContact CD1-CD2 3.45Å; F385-L411 HydrophobicContact CD1-CG 3.88Å; F385-L411 HydrophobicContact CE1-CD1 4.3Å; F385-L411 HydrophobicContact CE1-CD2 3.97Å; F385-L411 HydrophobicContact CE1-CG 3.85Å; F385-L411 HydrophobicContact CG-CD2 4.24Å; F385-G431 WeakPolarHBondContact CA-O 3.28Å; F385-G431 WeakPolarHBondContact CD2-O 3.42Å; F385-F432 HydrophobicContact CD2-CD1 4.31Å; F385-F432 HydrophobicContact CD2-CD2 4.16Å; F385-F432 AromaticContact CD2-CE1 3.78Å; F385-F432 HydrophobicContact CD2-CE1 3.78Å; F385-F432 AromaticContact CD2-CE2 3.6Å; F385-F432 HydrophobicContact CD2-CE2 3.6Å; F385-F432 HydrophobicContact CD2-CG 4.49Å; F385-F432 AromaticContact CD2-CZ 3.4Å; F385-F432 HydrophobicContact CD2-CZ 3.4Å; F385-F432 HydrophobicContact CE2-CD2 4.27Å; F385-F432 AromaticContact CE2-CE2 3.56Å; F385-F432 HydrophobicContact CE2-CE2 3.56Å; F385-F432 AromaticContact CE2-CZ 3.72Å; F385-F432 HydrophobicContact CE2-CZ 3.72Å; F385-F432 HydrophobicContact CG-CE1 4.48Å; F385-F432 HydrophobicContact CG-CZ 4.32Å
386	L	89.8	Confident	83	Confident	35 Å²	35	54.4 Å²	54.4	18%	0.183	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-38.2	177.9	-71.5	-178.9	0	0	0	112.7	Y382 K383 K390 P391 L411 F623 L625	Y382-L386 HydrophobicContact CD1-CD1 3.69Å; Y382-L386 HydrophobicContact CD1-CG 3.88Å; Y382-L386 HydrophobicContact CE1-CD1 3.69Å; Y382-L386 HydrophobicContact CE1-CD2 4.23Å; Y382-L386 HydrophobicContact CE1-CG 3.95Å; Y382-L386 WeakPolarHBondContact O-CG 3.41Å; Y382-L386 PolarHBondContact O-N 2.85Å; K383-L386 PolarHBondContact O-N 3.35Å; L386-K390 WeakPolarHBondContact O-CA 3.49Å; L386-K390 PolarHBondContact O-N 2.61Å; L386-P391 HydrophobicContact CD2-CG 4.11Å; L386-L411 HydrophobicContact CD2-CD1 4.17Å; L386-F623 VanDerWaalsContact CD1-O 3.24Å; L386-F623 WeakPolarHBondContact CD1-O 3.37Å; L386-F623 HydrophobicContact CD2-CB 3.96Å; L386-F623 HydrophobicContact CD2-CD1 4.4Å; L386-F623 WeakPolarHBondContact CD2-O 3.43Å; L386-L625 HydrophobicContact CD1-CB 4.39Å
387	K	88.2	Confident	81.1	Confident	169 Å²	169	57 Å²	57	74%	0.735	27%	0.269	S	S	*	.	H	α-helix	trans	-70.4	-37.7	-179.4	-173	178.4	179	-177.7	0	112.8	K383 R384 F385 K390	K383-K387 WeakPolarHBondContact O-CB 3.09Å; K383-K387 PolarHBondContact O-N 3.01Å; R384-K387 PolarHBondContact O-N 3.29Å; F385-K387 VanDerWaalsContact C-N 3.29Å; F385-K387 PolarHBondContact O-N 2.62Å; K387-K390 WeakPolarHBondContact O-CG 3.37Å
388	Q	85.9	Confident	79	Confident	60 Å²	60	58.5 Å²	58.5	28%	0.28	29%	0.291	S	S	.	.	H	α-helix	trans	-85.8	-51.7	-177.5	-73	179.5	-9.8	0	0	112.2	R384 F385 K390 G431 E433	R384-Q388 WeakPolarHBondContact O-CB 3.25Å; R384-Q388 PolarHBondContact O-N 2.87Å; F385-Q388 PolarHBondContact O-N 3.32Å; Q388-K390 PolarHBondContact O-N 3.48Å; Q388-G431 PolarHBondContact OE1-O 3.39Å; Q388-E433 PolarHBondContact NE2-O 3.43Å; Q388-E433 VanDerWaalsContact OE1-N 3.11Å
389	A	79.6	Confident	76.9	Confident	9 Å²	9	67.8 Å²	67.8	7%	0.074	33%	0.326	C	S	.	.	H	α-helix	trans	-72.3	-18	-176.9	0	0	0	0	0	113.1	F385 P391	F385-A389 HydrophobicContact CD1-CB 4.46Å; F385-A389 HydrophobicContact CD2-CB 4.43Å; F385-A389 HydrophobicContact CE1-CB 4.04Å; F385-A389 HydrophobicContact CE2-CB 3.99Å; F385-A389 HydrophobicContact CZ-CB 3.76Å; F385-A389 VanDerWaalsContact O-CB 3.26Å; F385-A389 WeakPolarHBondContact O-CB 3.24Å; F385-A389 PolarHBondContact O-N 3.32Å; A389-P391 VanDerWaalsContact C-CD 3.45Å; A389-P391 VanDerWaalsContact C-N 3.3Å
390	K	79.4	Confident	74.9	Confident	91 Å²	91	70 Å²	70	40%	0.396	34%	0.337	S	S	.	.			trans	36.1	54.4	179.5	-61.4	-170.9	170.2	-161	0	113.9	L386 K387 Q388 T392 E393	L386-K390 WeakPolarHBondContact O-CA 3.49Å; L386-K390 PolarHBondContact O-N 2.61Å; K387-K390 WeakPolarHBondContact O-CG 3.37Å; Q388-K390 PolarHBondContact O-N 3.48Å; K390-T392 PolarHBondContact O-N 3.05Å; K390-E393 HydrophobicContact CB-CB 4.37Å; K390-E393 HydrophobicContact CB-CG 4.43Å; K390-E393 WeakPolarHBondContact CD-OE1 3.19Å; K390-E393 VanDerWaalsContact CD-OE2 3.25Å; K390-E393 WeakPolarHBondContact CD-OE2 3.47Å; K390-E393 IonicContact NZ-OE1 2.73Å; K390-E393 PolarHBondContact NZ-OE1 3.06Å; K390-E393 VanDerWaalsContact NZ-OE1 3.16Å; K390-E393 IonicContact NZ-OE2 2.77Å; K390-E393 PolarHBondContact NZ-OE2 3.39Å; K390-E393 PolarHBondContact O-N 2.91Å
391	P	69.4	Low	73.3	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.006	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.7	-171.3	26.1	-35.1	0	0	0	112.8	L386 A389 T394 L395 F623	L386-P391 HydrophobicContact CD2-CG 4.11Å; A389-P391 VanDerWaalsContact C-CD 3.45Å; A389-P391 VanDerWaalsContact C-N 3.3Å; P391-T394 PolarHBondContact O-OG1 3.06Å; P391-L395 WeakPolarHBondContact O-CD1 3.4Å; P391-L395 WeakPolarHBondContact O-CG 3.46Å; P391-F623 HydrophobicContact CB-CD1 3.8Å; P391-F623 HydrophobicContact CB-CD2 4.3Å; P391-F623 HydrophobicContact CB-CE1 3.74Å; P391-F623 HydrophobicContact CB-CE2 4.26Å; P391-F623 HydrophobicContact CB-CG 4.07Å; P391-F623 HydrophobicContact CB-CZ 3.97Å; P391-F623 HydrophobicContact CG-CB 4.07Å; P391-F623 HydrophobicContact CG-CD1 3.48Å; P391-F623 VanDerWaalsContact CG-CD1 3.48Å; P391-F623 HydrophobicContact CG-CD2 4.36Å; P391-F623 HydrophobicContact CG-CE1 3.94Å; P391-F623 HydrophobicContact CG-CG 3.71Å
392	T	68.1	Low	71.8	Confident	50 Å²	50	75 Å²	75	31%	0.307	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-27.6	175.5	35.5	0	0	0	0	114.7	K390 R620 F623	K390-T392 PolarHBondContact O-N 3.05Å; T392-R620 HydrophobicContact CG2-CB 4.14Å; T392-R620 HydrophobicContact CG2-CG 3.91Å; T392-F623 HydrophobicContact CG2-CB 4.23Å; T392-F623 HydrophobicContact CG2-CD2 4.38Å
393	E	67.6	Low	70.5	Confident	103 Å²	103	77 Å²	77	48%	0.481	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-36.9	177.8	-68.7	178.9	-164	0	0	110.6	K390 L395 Q396	K390-E393 HydrophobicContact CB-CB 4.37Å; K390-E393 HydrophobicContact CB-CG 4.43Å; K390-E393 WeakPolarHBondContact CD-OE1 3.19Å; K390-E393 VanDerWaalsContact CD-OE2 3.25Å; K390-E393 WeakPolarHBondContact CD-OE2 3.47Å; K390-E393 IonicContact NZ-OE1 2.73Å; K390-E393 PolarHBondContact NZ-OE1 3.06Å; K390-E393 VanDerWaalsContact NZ-OE1 3.16Å; K390-E393 IonicContact NZ-OE2 2.77Å; K390-E393 PolarHBondContact NZ-OE2 3.39Å; K390-E393 PolarHBondContact O-N 2.91Å; E393-L395 PolarHBondContact O-N 2.86Å; E393-L395 VanDerWaalsContact O-N 3.15Å; E393-Q396 WeakPolarHBondContact O-CG 3.13Å; E393-Q396 PolarHBondContact O-N 3.49Å
394	T	61.6	Low	69.4	Low	56 Å²	56	73.4 Å²	73.4	34%	0.344	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-7.6	176	52.5	0	0	0	0	114.4	P391	P391-T394 PolarHBondContact O-OG1 3.06Å
395	L	59.8	Low	68.5	Low	8 Å²	8	74.2 Å²	74.2	4%	0.042	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-2.5	177.3	-70.5	165	0	0	0	114.1	P391 E393 E397 G398 L619 F623	P391-L395 WeakPolarHBondContact O-CD1 3.4Å; P391-L395 WeakPolarHBondContact O-CG 3.46Å; E393-L395 PolarHBondContact O-N 2.86Å; E393-L395 VanDerWaalsContact O-N 3.15Å; L395-E397 PolarHBondContact O-N 2.86Å; L395-E397 VanDerWaalsContact O-N 3.1Å; L395-G398 PolarHBondContact O-N 2.92Å; L395-L619 HydrophobicContact CD1-CB 4.4Å; L395-F623 HydrophobicContact CD1-CD2 4.08Å; L395-F623 HydrophobicContact CD1-CE2 3.64Å
396	Q	56.4	Low	68.1	Low	142 Å²	142	76.7 Å²	76.7	66%	0.664	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.2	-172.7	-74.9	-176.7	1.4	0	0	114.8	E393	E393-Q396 WeakPolarHBondContact O-CG 3.13Å; E393-Q396 PolarHBondContact O-N 3.49Å
397	E	53.9	Low	67.9	Low	165 Å²	165	75.2 Å²	75.2	77%	0.771	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	10.6	178.9	-64.5	-174.5	163.7	0	0	114.7	L395 R399	L395-E397 PolarHBondContact O-N 2.86Å; L395-E397 VanDerWaalsContact O-N 3.1Å; E397-R399 PolarHBondContact O-N 3.42Å; E397-R399 VanDerWaalsContact O-N 3.15Å
398	G	49.7	Very low	67.8	Low	56 Å²	56	68.1 Å²	68.1	58%	0.577	36%	0.36	S	S	*	.	S	Bend	trans	70.8	10	173.9	0	0	0	0	0	115.3	L395	L395-G398 PolarHBondContact O-N 2.92Å
399	R	51.3	Low	67.9	Low	194 Å²	194	67.9 Å²	67.9	73%	0.732	36%	0.363	S	S	*	.	S	Bend	trans	-118.3	136.4	171.9	-68.7	-176.4	178.5	179.8	0.4	110.7	E397 N401	E397-R399 PolarHBondContact O-N 3.42Å; E397-R399 VanDerWaalsContact O-N 3.15Å; R399-N401 VanDerWaalsContact C-N 3.35Å; R399-N401 PolarHBondContact O-N 3.25Å
400	I	54.2	Low	68.4	Low	83 Å²	83	67.8 Å²	67.8	43%	0.426	36%	0.361	S	S	.	.			trans	-69.1	95.1	167.7	-62.2	177.8	0	0	0	106.8	S404 L405	I400-S404 WeakPolarHBondContact CG2-OG 3.5Å; I400-L405 HydrophobicContact CG2-CD1 4.44Å; I400-L405 HydrophobicContact CG2-CD2 3.86Å; I400-L405 HydrophobicContact CG2-CG 3.85Å
401	N	59.6	Low	69	Low	69 Å²	69	63.4 Å²	63.4	37%	0.369	34%	0.342	S	S	.	.			trans	-69.4	155.2	174.8	-81	-20.5	0	0	0	110.8	R399 S403 S404	R399-N401 VanDerWaalsContact C-N 3.35Å; R399-N401 PolarHBondContact O-N 3.25Å; N401-S403 PolarHBondContact O-N 3Å; N401-S403 VanDerWaalsContact O-N 3.1Å; N401-S404 WeakPolarHBondContact O-CB 3.29Å; N401-S404 PolarHBondContact O-N 3.2Å; N401-S404 PolarHBondContact O-OG 2.84Å
402	V	62	Low	70.1	Confident	125 Å²	125	63.6 Å²	63.6	76%	0.758	34%	0.343	S	S	*	.	H	α-helix	trans	-52.9	-35	179.7	178	0	0	0	0	112.1	S404 L405 S406	V402-S404 PolarHBondContact O-N 2.79Å; V402-L405 PolarHBondContact O-N 2.76Å; V402-S406 PolarHBondContact O-N 3.28Å
403	S	67.1	Low	71.3	Confident	43 Å²	43	62.7 Å²	62.7	30%	0.301	34%	0.335	S	S	.	.	H	α-helix	trans	-65.2	-30.1	176.3	175.8	0	0	0	0	114.3	N401 S406 S407	N401-S403 PolarHBondContact O-N 3Å; N401-S403 VanDerWaalsContact O-N 3.1Å; S403-S406 WeakPolarHBondContact CA-OG 3.5Å; S403-S406 PolarHBondContact O-OG 2.73Å; S403-S407 WeakPolarHBondContact O-CB 3.49Å; S403-S407 PolarHBondContact O-N 2.91Å; S403-S407 PolarHBondContact O-OG 2.9Å
404	S	70.7	Confident	72.6	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.014	31%	0.312	C	S	.	.	H	α-helix	trans	-71.9	-32.9	175.1	68	0	0	0	0	112	I400 N401 V402 S407 I408	I400-S404 WeakPolarHBondContact CG2-OG 3.5Å; N401-S404 WeakPolarHBondContact O-CB 3.29Å; N401-S404 PolarHBondContact O-N 3.2Å; N401-S404 PolarHBondContact O-OG 2.84Å; V402-S404 PolarHBondContact O-N 2.79Å; S404-S407 PolarHBondContact O-N 3.45Å; S404-I408 VanDerWaalsContact O-CG1 3.28Å; S404-I408 WeakPolarHBondContact O-CG1 3.5Å; S404-I408 PolarHBondContact O-N 2.79Å
405	L	73.4	Confident	74.2	Confident	93 Å²	93	55.2 Å²	55.2	49%	0.487	30%	0.296	S	S	.	.	H	α-helix	trans	-71.1	-37.8	176	-66.8	173.9	0	0	0	112.2	I400 V402 S407 T409	I400-L405 HydrophobicContact CG2-CD1 4.44Å; I400-L405 HydrophobicContact CG2-CD2 3.86Å; I400-L405 HydrophobicContact CG2-CG 3.85Å; V402-L405 PolarHBondContact O-N 2.76Å; L405-S407 VanDerWaalsContact C-N 3.35Å; L405-T409 WeakPolarHBondContact O-CB 3.29Å; L405-T409 PolarHBondContact O-N 3.1Å; L405-T409 PolarHBondContact O-OG1 2.92Å
406	S	81.8	Confident	75.9	Confident	56 Å²	56	54.8 Å²	54.8	39%	0.392	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-41.6	173.1	59.7	0	0	0	0	110.6	V402 S403 I408 T409 S410	V402-S406 PolarHBondContact O-N 3.28Å; S403-S406 WeakPolarHBondContact CA-OG 3.5Å; S403-S406 PolarHBondContact O-OG 2.73Å; S406-I408 PolarHBondContact O-N 2.78Å; S406-T409 WeakPolarHBondContact O-CB 3.42Å; S406-T409 PolarHBondContact O-N 2.75Å; S406-T409 VanDerWaalsContact O-N 3.11Å; S406-S410 PolarHBondContact O-N 3.02Å; S406-S410 PolarHBondContact O-OG 3.41Å
407	S	85.4	Confident	77.8	Confident	5 Å²	5	48.1 Å²	48.1	4%	0.035	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-46.9	176	-63.2	0	0	0	0	112.9	S403 S404 L405 T409 S410 L411	S403-S407 WeakPolarHBondContact O-CB 3.49Å; S403-S407 PolarHBondContact O-N 2.91Å; S403-S407 PolarHBondContact O-OG 2.9Å; S404-S407 PolarHBondContact O-N 3.45Å; L405-S407 VanDerWaalsContact C-N 3.35Å; S407-T409 VanDerWaalsContact C-N 3.27Å; S407-T409 PolarHBondContact O-N 3.11Å; S407-S410 PolarHBondContact O-N 3.23Å; S407-L411 WeakPolarHBondContact O-CG 2.86Å; S407-L411 PolarHBondContact O-N 3.05Å
408	I	86.4	Confident	79.7	Confident	20 Å²	20	40.2 Å²	40.2	10%	0.103	23%	0.226	C	C	.	.	H	α-helix	trans	-56.6	-44.3	173.1	-72.7	172.2	0	0	0	110.9	S404 S406 L411 K412 W553 I585 L622 F623	S404-I408 VanDerWaalsContact O-CG1 3.28Å; S404-I408 WeakPolarHBondContact O-CG1 3.5Å; S404-I408 PolarHBondContact O-N 2.79Å; S406-I408 PolarHBondContact O-N 2.78Å; I408-L411 PolarHBondContact O-N 2.87Å; I408-K412 HydrophobicContact CG2-CD 4.39Å; I408-K412 WeakPolarHBondContact O-CG 3.01Å; I408-K412 PolarHBondContact O-N 2.98Å; I408-W553 HydrophobicContact CG2-CZ2 4.07Å; I408-I585 HydrophobicContact CB-CD1 4.12Å; I408-I585 HydrophobicContact CG1-CD1 3.96Å; I408-I585 HydrophobicContact CG2-CD1 3.78Å; I408-L622 HydrophobicContact CD1-CD1 4.43Å; I408-L622 HydrophobicContact CD1-CD2 3.84Å; I408-L622 HydrophobicContact CG1-CD2 3.69Å; I408-F623 HydrophobicContact CD1-CZ 4.07Å; I408-F623 HydrophobicContact CG1-CE1 3.79Å; I408-F623 HydrophobicContact CG1-CZ 3.66Å
409	T	87.9	Confident	81.7	Confident	55 Å²	55	38.4 Å²	38.4	34%	0.337	21%	0.205	S	C	.	.	H	α-helix	trans	-64.2	-42.7	-179.4	-59.1	0	0	0	0	111.3	L405 S406 S407 K412 K413	L405-T409 WeakPolarHBondContact O-CB 3.29Å; L405-T409 PolarHBondContact O-N 3.1Å; L405-T409 PolarHBondContact O-OG1 2.92Å; S406-T409 WeakPolarHBondContact O-CB 3.42Å; S406-T409 PolarHBondContact O-N 2.75Å; S406-T409 VanDerWaalsContact O-N 3.11Å; S407-T409 VanDerWaalsContact C-N 3.27Å; S407-T409 PolarHBondContact O-N 3.11Å; T409-K412 PolarHBondContact O-N 3.2Å; T409-K413 WeakPolarHBondContact O-CG 3.4Å; T409-K413 PolarHBondContact O-N 2.91Å
410	S	91	Very high	83.7	Confident	6 Å²	6	30 Å²	30	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-46.3	175.7	-67.8	0	0	0	0	112.1	S406 S407 K412 K413 L414	S406-S410 PolarHBondContact O-N 3.02Å; S406-S410 PolarHBondContact O-OG 3.41Å; S407-S410 PolarHBondContact O-N 3.23Å; S410-K412 PolarHBondContact O-N 3.2Å; S410-K413 WeakPolarHBondContact O-CB 3.47Å; S410-K413 PolarHBondContact O-N 2.92Å; S410-L414 WeakPolarHBondContact O-CB 3.45Å; S410-L414 PolarHBondContact O-N 2.65Å
411	L	92.4	Very high	85.6	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-40.9	177.7	-69.9	177.1	0	0	0	112.5	Y382 F385 L386 S407 I408 L414 C415 I585 F623	Y382-L411 HydrophobicContact CD1-CD2 3.98Å; Y382-L411 HydrophobicContact CD2-CD2 3.97Å; Y382-L411 HydrophobicContact CE1-CD1 4.26Å; Y382-L411 HydrophobicContact CE1-CD2 3.75Å; Y382-L411 HydrophobicContact CE2-CB 4.37Å; Y382-L411 HydrophobicContact CE2-CD2 3.75Å; Y382-L411 HydrophobicContact CG-CD2 4.07Å; F385-L411 HydrophobicContact CD1-CD1 4.43Å; F385-L411 HydrophobicContact CD1-CD2 3.45Å; F385-L411 VanDerWaalsContact CD1-CD2 3.45Å; F385-L411 HydrophobicContact CD1-CG 3.88Å; F385-L411 HydrophobicContact CE1-CD1 4.3Å; F385-L411 HydrophobicContact CE1-CD2 3.97Å; F385-L411 HydrophobicContact CE1-CG 3.85Å; F385-L411 HydrophobicContact CG-CD2 4.24Å; L386-L411 HydrophobicContact CD2-CD1 4.17Å; S407-L411 WeakPolarHBondContact O-CG 2.86Å; S407-L411 PolarHBondContact O-N 3.05Å; I408-L411 PolarHBondContact O-N 2.87Å; L411-L414 PolarHBondContact O-N 3.05Å; L411-C415 PolarHBondContact O-N 3.39Å; L411-C415 PolarHBondContact O-SG 3.03Å; L411-I585 HydrophobicContact CB-CD1 4.5Å; L411-I585 HydrophobicContact CB-CG2 4.12Å; L411-F623 HydrophobicContact CD1-CD1 3.77Å; L411-F623 HydrophobicContact CD1-CE1 4.17Å
412	K	92.2	Very high	87.1	Confident	4 Å²	4	25 Å²	25	2%	0.017	15%	0.145	C	C	.	.	H	α-helix	trans	-62.3	-42.3	173.6	-73.3	-170	71	176.3	0	112	I408 T409 S410 C415 N416 Y480 P551 I585 I589	I408-K412 HydrophobicContact CG2-CD 4.39Å; I408-K412 WeakPolarHBondContact O-CG 3.01Å; I408-K412 PolarHBondContact O-N 2.98Å; T409-K412 PolarHBondContact O-N 3.2Å; S410-K412 PolarHBondContact O-N 3.2Å; K412-C415 PolarHBondContact O-N 3.02Å; K412-N416 PolarHBondContact O-N 3.37Å; K412-N416 VanDerWaalsContact O-N 3.08Å; K412-Y480 WeakPolarHBondContact CD-OH 3.31Å; K412-Y480 VanDerWaalsContact CE-OH 3.22Å; K412-Y480 WeakPolarHBondContact CE-OH 3.44Å; K412-Y480 PolarHBondContact NZ-OH 2.86Å; K412-P551 PolarHBondContact NZ-O 3.32Å; K412-I585 HydrophobicContact CG-CG2 4.44Å; K412-I589 HydrophobicContact CD-CD1 3.85Å; K412-I589 HydrophobicContact CG-CD1 4.3Å
413	K	93.4	Very high	88.4	Confident	32 Å²	32	23.6 Å²	23.6	14%	0.139	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-43.7	175	-74.5	-176.6	-174.9	-161.5	0	111.7	T409 S410 C415 N416 H417 L420 I421	T409-K413 WeakPolarHBondContact O-CG 3.4Å; T409-K413 PolarHBondContact O-N 2.91Å; S410-K413 WeakPolarHBondContact O-CB 3.47Å; S410-K413 PolarHBondContact O-N 2.92Å; K413-C415 PolarHBondContact O-N 2.87Å; K413-N416 WeakPolarHBondContact O-CB 3.45Å; K413-N416 PolarHBondContact O-N 2.95Å; K413-H417 PolarHBondContact O-N 3.44Å; K413-H417 VanDerWaalsContact O-O 3.13Å; K413-L420 HydrophobicContact CB-CB 3.91Å; K413-L420 HydrophobicContact CB-CD1 4.49Å; K413-L420 HydrophobicContact CD-CB 4.46Å; K413-L420 HydrophobicContact CG-CB 4.34Å; K413-I421 HydrophobicContact CB-CG2 3.75Å
414	L	94.8	Very high	89.5	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-60.8	-43.1	176.8	177.9	61.4	0	0	0	111.9	Q378 L381 Y382 S410 L411 N416 H417 P418 I421	Q378-L414 HydrophobicContact CG-CD1 4.4Å; Q378-L414 PolarHBondContact NE2-O 3.37Å; L381-L414 HydrophobicContact CB-CD1 3.82Å; L381-L414 HydrophobicContact CB-CD2 3.95Å; L381-L414 HydrophobicContact CD1-CD1 3.81Å; L381-L414 HydrophobicContact CG-CD1 4.48Å; Y382-L414 HydrophobicContact CD2-CD2 3.89Å; Y382-L414 HydrophobicContact CG-CD2 4.18Å; S410-L414 WeakPolarHBondContact O-CB 3.45Å; S410-L414 PolarHBondContact O-N 2.65Å; L411-L414 PolarHBondContact O-N 3.05Å; L414-N416 VanDerWaalsContact C-N 3.3Å; L414-N416 PolarHBondContact O-N 3.35Å; L414-H417 PolarHBondContact O-N 3.32Å; L414-P418 HydrophobicContact CD1-CG 4.41Å; L414-I421 HydrophobicContact CB-CG1 4.32Å; L414-I421 HydrophobicContact CD1-CD1 4.12Å; L414-I421 HydrophobicContact CD1-CG1 3.92Å
415	C	95.3	Very high	90.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.8	-39	175.1	-67.4	0	0	0	0	112	Q378 L411 K412 K413 K455 E586	Q378-C415 PolarHBondContact NE2-O 2.98Å; L411-C415 PolarHBondContact O-N 3.39Å; L411-C415 PolarHBondContact O-SG 3.03Å; K412-C415 PolarHBondContact O-N 3.02Å; K413-C415 PolarHBondContact O-N 2.87Å; C415-K455 WeakPolarHBondContact O-CE 3.32Å; C415-E586 HydrophobicContact CB-CG 4.12Å
416	N	94.9	Very high	91.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.7	-58.3	174.7	-81	6.2	0	0	0	111.4	K412 K413 L414 L420 S453 K455 T483 F549 D550	K412-N416 PolarHBondContact O-N 3.37Å; K412-N416 VanDerWaalsContact O-N 3.08Å; K413-N416 WeakPolarHBondContact O-CB 3.45Å; K413-N416 PolarHBondContact O-N 2.95Å; L414-N416 VanDerWaalsContact C-N 3.3Å; L414-N416 PolarHBondContact O-N 3.35Å; N416-L420 HydrophobicContact CB-CD1 3.65Å; N416-S453 WeakPolarHBondContact O-CB 3.31Å; N416-S453 PolarHBondContact O-OG 3.4Å; N416-K455 WeakPolarHBondContact OD1-CE 3.39Å; N416-K455 PolarHBondContact OD1-NZ 3.2Å; N416-T483 PolarHBondContact ND2-OG1 3.25Å; N416-F549 HydrophobicContact CB-CE1 3.87Å; N416-D550 PolarHBondContact ND2-OD1 3.14Å
417	H	95.5	Very high	91.4	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.141	C	C	.	.			trans	-167.7	138.5	175.7	-160.1	-84.5	0	0	0	112.2	K413 L414 A419 L420 E449 S453 L486	K413-H417 PolarHBondContact O-N 3.44Å; K413-H417 VanDerWaalsContact O-O 3.13Å; L414-H417 PolarHBondContact O-N 3.32Å; H417-A419 WeakPolarHBondContact ND1-CB 3.48Å; H417-A419 PolarHBondContact ND1-N 3.32Å; H417-A419 PolarHBondContact O-N 2.96Å; H417-A419 VanDerWaalsContact O-N 3.13Å; H417-L420 HydrophobicContact CB-CG 4.4Å; H417-L420 WeakPolarHBondContact O-CB 3.06Å; H417-L420 PolarHBondContact O-N 2.78Å; H417-E449 PolarHBondContact NE2-O 3.36Å; H417-E449 VanDerWaalsContact NE2-O 3.09Å; H417-S453 VanDerWaalsContact CD2-CB 3.49Å; H417-S453 WeakPolarHBondContact CD2-CB 3.31Å; H417-L486 HydrophobicContact CB-CD1 3.51Å
418	P	94.6	Very high	91.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-54.4	-32.9	175.3	-28.6	36.2	0	0	0	114.4	L377 Q378 L381 L414 L420 I421 Y422 F439 L452	L377-P418 HydrophobicContact CD2-CB 4.22Å; L377-P418 HydrophobicContact CD2-CG 4.15Å; L377-P418 HydrophobicContact CG-CG 4.4Å; Q378-P418 HydrophobicContact CG-CG 3.7Å; L381-P418 HydrophobicContact CD1-CB 4.08Å; L381-P418 HydrophobicContact CD1-CG 4.46Å; L414-P418 HydrophobicContact CD1-CG 4.41Å; P418-L420 PolarHBondContact O-N 3.29Å; P418-I421 VanDerWaalsContact O-CD1 3.3Å; P418-I421 WeakPolarHBondContact O-CD1 3.36Å; P418-I421 VanDerWaalsContact O-CG1 3.28Å; P418-I421 WeakPolarHBondContact O-CG1 3.32Å; P418-I421 PolarHBondContact O-N 2.78Å; P418-Y422 PolarHBondContact O-N 3.31Å; P418-Y422 VanDerWaalsContact O-N 3.16Å; P418-F439 HydrophobicContact CB-CE1 3.79Å; P418-F439 HydrophobicContact CB-CZ 3.98Å; P418-L452 WeakPolarHBondContact CD-O 3.27Å; P418-L452 HydrophobicContact CG-CB 4.33Å; P418-L452 WeakPolarHBondContact CG-O 3.3Å
419	A	92.9	Very high	91.5	Very high	17 Å²	17	35.6 Å²	35.6	14%	0.14	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-52.3	-27.7	173.3	0	0	0	0	0	114.9	H417 I421 Y443 L486	H417-A419 WeakPolarHBondContact ND1-CB 3.48Å; H417-A419 PolarHBondContact ND1-N 3.32Å; H417-A419 PolarHBondContact O-N 2.96Å; H417-A419 VanDerWaalsContact O-N 3.13Å; A419-I421 VanDerWaalsContact C-N 3.3Å; A419-Y443 VanDerWaalsContact CA-OH 3.24Å; A419-Y443 WeakPolarHBondContact CA-OH 3.38Å; A419-Y443 WeakPolarHBondContact CB-OH 3.45Å; A419-L486 HydrophobicContact CB-CD2 4.39Å
420	L	93.1	Very high	91.1	Very high	17 Å²	17	39.5 Å²	39.5	9%	0.089	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-78.9	-14.6	-179	-62.2	176.8	0	0	0	113.6	K413 N416 H417 P418 Q482 T483 L486	K413-L420 HydrophobicContact CB-CB 3.91Å; K413-L420 HydrophobicContact CB-CD1 4.49Å; K413-L420 HydrophobicContact CD-CB 4.46Å; K413-L420 HydrophobicContact CG-CB 4.34Å; N416-L420 HydrophobicContact CB-CD1 3.65Å; H417-L420 HydrophobicContact CB-CG 4.4Å; H417-L420 WeakPolarHBondContact O-CB 3.06Å; H417-L420 PolarHBondContact O-N 2.78Å; P418-L420 PolarHBondContact O-N 3.29Å; L420-Q482 HydrophobicContact CD2-CB 3.68Å; L420-T483 WeakPolarHBondContact CD1-OG1 3.34Å; L420-L486 HydrophobicContact CD1-CD1 4.13Å; L420-L486 HydrophobicContact CD2-CD1 3.74Å; L420-L486 HydrophobicContact CD2-CG 4.1Å; L420-L486 HydrophobicContact CG-CD1 3.78Å
421	I	92.8	Very high	90.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-2.7	176.2	54.4	78.6	0	0	0	112.1	L381 K413 L414 P418 A419 D423 K424 C425 F432 F439	L381-I421 HydrophobicContact CD1-CD1 4.09Å; L381-I421 HydrophobicContact CD2-CD1 4.48Å; K413-I421 HydrophobicContact CB-CG2 3.75Å; L414-I421 HydrophobicContact CB-CG1 4.32Å; L414-I421 HydrophobicContact CD1-CD1 4.12Å; L414-I421 HydrophobicContact CD1-CG1 3.92Å; P418-I421 VanDerWaalsContact O-CD1 3.3Å; P418-I421 WeakPolarHBondContact O-CD1 3.36Å; P418-I421 VanDerWaalsContact O-CG1 3.28Å; P418-I421 WeakPolarHBondContact O-CG1 3.32Å; P418-I421 PolarHBondContact O-N 2.78Å; A419-I421 VanDerWaalsContact C-N 3.3Å; I421-D423 VanDerWaalsContact C-N 3.35Å; I421-D423 PolarHBondContact O-N 3.17Å; I421-K424 HydrophobicContact CG2-CD 4.43Å; I421-K424 WeakPolarHBondContact O-CB 3.4Å; I421-K424 PolarHBondContact O-N 3.38Å; I421-C425 PolarHBondContact O-N 3.13Å; I421-C425 VanDerWaalsContact O-N 3.13Å; I421-C425 PolarHBondContact O-SG 3.34Å; I421-F432 HydrophobicContact CB-CE1 4.16Å; I421-F432 HydrophobicContact CB-CZ 4.18Å; I421-F432 HydrophobicContact CD1-CE1 4.21Å; I421-F432 HydrophobicContact CG1-CE1 4.35Å; I421-F432 HydrophobicContact CG2-CZ 4.22Å; I421-F439 HydrophobicContact CD1-CE2 4.42Å; I421-F439 HydrophobicContact CD1-CZ 3.95Å
422	Y	91.7	Very high	90.4	Very high	47 Å²	47	39.5 Å²	39.5	18%	0.184	19%	0.194	C	C	.	.	H	α-helix	trans	-57.1	-44.2	-178.3	-176.8	-99	0	0	0	113	P418 K424 C425 V426 L436 F439 Y443 T445	P418-Y422 PolarHBondContact O-N 3.31Å; P418-Y422 VanDerWaalsContact O-N 3.16Å; Y422-K424 PolarHBondContact O-N 3.44Å; Y422-C425 WeakPolarHBondContact O-CA 3.49Å; Y422-C425 WeakPolarHBondContact O-CB 3.07Å; Y422-C425 PolarHBondContact O-N 3.33Å; Y422-V426 HydrophobicContact CD1-CG2 3.98Å; Y422-V426 HydrophobicContact CE1-CG2 3.53Å; Y422-V426 HydrophobicContact CE2-CG2 4.48Å; Y422-V426 WeakPolarHBondContact O-CG2 3.29Å; Y422-V426 PolarHBondContact O-N 3.26Å; Y422-L436 HydrophobicContact CD2-CD1 4.26Å; Y422-L436 HydrophobicContact CE2-CD1 3.49Å; Y422-L436 VanDerWaalsContact CE2-CD1 3.49Å; Y422-F439 AromaticContact CD2-CD1 3.87Å; Y422-F439 HydrophobicContact CD2-CD1 3.87Å; Y422-F439 HydrophobicContact CD2-CD2 4.21Å; Y422-F439 AromaticContact CD2-CE1 3.7Å; Y422-F439 HydrophobicContact CD2-CE1 3.7Å; Y422-F439 HydrophobicContact CD2-CE2 4.05Å; Y422-F439 HydrophobicContact CD2-CG 4.13Å; Y422-F439 AromaticContact CD2-CZ 3.79Å; Y422-F439 HydrophobicContact CD2-CZ 3.79Å; Y422-F439 HydrophobicContact CE2-CD1 4.24Å; Y422-F439 HydrophobicContact CE2-CD2 4.45Å; Y422-F439 HydrophobicContact CE2-CG 4.21Å; Y422-Y443 HydrophobicContact CD1-CE1 4.2Å; Y422-Y443 AromaticContact CD2-CD1 3.68Å; Y422-Y443 HydrophobicContact CD2-CD1 3.68Å; Y422-Y443 AromaticContact CD2-CE1 3.36Å; Y422-Y443 HydrophobicContact CD2-CE1 3.36Å; Y422-Y443 HydrophobicContact CE1-CE1 4.35Å; Y422-Y443 AromaticContact CE2-CD1 3.36Å; Y422-Y443 HydrophobicContact CE2-CD1 3.36Å; Y422-Y443 AromaticContact CE2-CE1 3.54Å; Y422-Y443 HydrophobicContact CE2-CE1 3.54Å; Y422-Y443 HydrophobicContact CG-CD1 4.38Å; Y422-Y443 AromaticContact CG-CE1 3.7Å; Y422-Y443 HydrophobicContact CG-CE1 3.7Å; Y422-Y443 AromaticContact CZ-CD1 3.85Å; Y422-T445 HydrophobicContact CD1-CG2 3.65Å; Y422-T445 HydrophobicContact CE1-CG2 4Å; Y422-T445 HydrophobicContact CG-CG2 4.38Å
423	D	90.3	Very high	90.2	Very high	96 Å²	96	44.2 Å²	44.2	51%	0.513	22%	0.216	S	C	.	.	H	α-helix	trans	-59.3	-37.7	178.6	-59.4	-23	0	0	0	111.2	I421 C425 V426 E427	I421-D423 VanDerWaalsContact C-N 3.35Å; I421-D423 PolarHBondContact O-N 3.17Å; D423-C425 VanDerWaalsContact C-N 3.32Å; D423-C425 PolarHBondContact O-N 3.08Å; D423-V426 PolarHBondContact O-N 3.4Å; D423-E427 WeakPolarHBondContact O-CG 3.44Å; D423-E427 PolarHBondContact O-N 3.44Å
424	K	88.9	Confident	89.8	Confident	38 Å²	38	43.5 Å²	43.5	17%	0.165	22%	0.217	C	C	.	.	H	α-helix	trans	-67.9	-31.5	175.8	-56.5	177.9	155.3	-91.7	0	112.6	I421 Y422 E428 E429 F432	I421-K424 HydrophobicContact CG2-CD 4.43Å; I421-K424 WeakPolarHBondContact O-CB 3.4Å; I421-K424 PolarHBondContact O-N 3.38Å; Y422-K424 PolarHBondContact O-N 3.44Å; K424-E428 PolarHBondContact O-N 3.41Å; K424-E429 HydrophobicContact CB-CB 4.36Å; K424-E429 WeakPolarHBondContact CB-OE2 3.44Å; K424-E429 WeakPolarHBondContact CD-OE2 3.18Å; K424-E429 WeakPolarHBondContact CE-OE2 3.45Å; K424-E429 WeakPolarHBondContact CG-OE2 3.34Å; K424-E429 VanDerWaalsContact NZ-CD 3.34Å; K424-E429 IonicContact NZ-OE1 3.69Å; K424-E429 PolarHBondContact NZ-OE1 3.19Å; K424-E429 IonicContact NZ-OE2 3.6Å; K424-E429 PolarHBondContact NZ-OE2 2.83Å; K424-E429 PolarHBondContact O-N 2.99Å; K424-E429 VanDerWaalsContact O-N 3.09Å; K424-F432 HydrophobicContact CB-CD2 3.85Å; K424-F432 HydrophobicContact CB-CE2 4.13Å; K424-F432 HydrophobicContact CB-CG 4.35Å; K424-F432 HydrophobicContact CD-CD2 4.39Å; K424-F432 HydrophobicContact CD-CE2 3.85Å; K424-F432 HydrophobicContact CD-CZ 4.45Å
425	C	88.4	Confident	89.5	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-72.3	-34.5	174.2	-57	0	0	0	0	112.1	I421 Y422 D423 E428 A435 F439	I421-C425 PolarHBondContact O-N 3.13Å; I421-C425 VanDerWaalsContact O-N 3.13Å; I421-C425 PolarHBondContact O-SG 3.34Å; Y422-C425 WeakPolarHBondContact O-CA 3.49Å; Y422-C425 WeakPolarHBondContact O-CB 3.07Å; Y422-C425 PolarHBondContact O-N 3.33Å; D423-C425 VanDerWaalsContact C-N 3.32Å; D423-C425 PolarHBondContact O-N 3.08Å; C425-E428 PolarHBondContact O-N 3.41Å; C425-A435 HydrophobicContact CB-CB 4.22Å; C425-F439 HydrophobicContact CB-CE2 4.38Å
426	V	88.9	Confident	89.3	Confident	79 Å²	79	46.7 Å²	46.7	48%	0.479	23%	0.234	S	C	.	.	H	α-helix	trans	-71.4	-38.8	175.8	174.5	0	0	0	0	111.2	Y422 D423 E428 L436	Y422-V426 HydrophobicContact CD1-CG2 3.98Å; Y422-V426 HydrophobicContact CE1-CG2 3.53Å; Y422-V426 HydrophobicContact CE2-CG2 4.48Å; Y422-V426 WeakPolarHBondContact O-CG2 3.29Å; Y422-V426 PolarHBondContact O-N 3.26Å; D423-V426 PolarHBondContact O-N 3.4Å; V426-E428 PolarHBondContact O-N 3.45Å; V426-L436 HydrophobicContact CG2-CD1 3.85Å
427	E	89.9	Confident	89	Confident	148 Å²	148	53.2 Å²	53.2	69%	0.692	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-4.2	177.2	-69.3	176.5	176	0	0	113.4	D423 E429	D423-E427 WeakPolarHBondContact O-CG 3.44Å; D423-E427 PolarHBondContact O-N 3.44Å; E427-E429 PolarHBondContact O-N 3.33Å
428	E	86.9	Confident	88.7	Confident	126 Å²	126	55.6 Å²	55.6	59%	0.589	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	42.2	-174.1	-59.5	-169.9	151.6	0	0	112.7	K424 C425 V426	K424-E428 PolarHBondContact O-N 3.41Å; C425-E428 PolarHBondContact O-N 3.41Å; V426-E428 PolarHBondContact O-N 3.45Å
429	E	85.7	Confident	88.6	Confident	80 Å²	80	56.4 Å²	56.4	37%	0.374	29%	0.285	S	S	.	.			trans	-62.5	154.4	178.2	-159.7	-172.3	172	0	0	110.7	K424 E427 G431 F432	K424-E429 HydrophobicContact CB-CB 4.36Å; K424-E429 WeakPolarHBondContact CB-OE2 3.44Å; K424-E429 WeakPolarHBondContact CD-OE2 3.18Å; K424-E429 WeakPolarHBondContact CE-OE2 3.45Å; K424-E429 WeakPolarHBondContact CG-OE2 3.34Å; K424-E429 VanDerWaalsContact NZ-CD 3.34Å; K424-E429 IonicContact NZ-OE1 3.69Å; K424-E429 PolarHBondContact NZ-OE1 3.19Å; K424-E429 IonicContact NZ-OE2 3.6Å; K424-E429 PolarHBondContact NZ-OE2 2.83Å; K424-E429 PolarHBondContact O-N 2.99Å; K424-E429 VanDerWaalsContact O-N 3.09Å; E427-E429 PolarHBondContact O-N 3.33Å; E429-G431 PolarHBondContact O-N 3.42Å; E429-G431 VanDerWaalsContact O-N 3.11Å; E429-F432 PolarHBondContact O-N 3.34Å
430	E	80.1	Confident	88.4	Confident	137 Å²	137	57.6 Å²	57.6	64%	0.64	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	119.1	-179.8	-168.3	-174.8	-178.4	0	0	111.6
431	G	81.1	Confident	88	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.01	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	-4.7	-176.7	0	0	0	0	0	116	F385 Q388 E429	F385-G431 WeakPolarHBondContact CA-O 3.28Å; F385-G431 WeakPolarHBondContact CD2-O 3.42Å; Q388-G431 PolarHBondContact OE1-O 3.39Å; E429-G431 PolarHBondContact O-N 3.42Å; E429-G431 VanDerWaalsContact O-N 3.11Å
432	F	87.3	Confident	87.4	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.018	37%	0.37	C	S	.	.			trans	-123.7	16	179.2	-65.1	-75.5	0	0	0	114.1	F385 I421 K424 E429 G434 A435	F385-F432 HydrophobicContact CD2-CD1 4.31Å; F385-F432 HydrophobicContact CD2-CD2 4.16Å; F385-F432 AromaticContact CD2-CE1 3.78Å; F385-F432 HydrophobicContact CD2-CE1 3.78Å; F385-F432 AromaticContact CD2-CE2 3.6Å; F385-F432 HydrophobicContact CD2-CE2 3.6Å; F385-F432 HydrophobicContact CD2-CG 4.49Å; F385-F432 AromaticContact CD2-CZ 3.4Å; F385-F432 HydrophobicContact CD2-CZ 3.4Å; F385-F432 HydrophobicContact CE2-CD2 4.27Å; F385-F432 AromaticContact CE2-CE2 3.56Å; F385-F432 HydrophobicContact CE2-CE2 3.56Å; F385-F432 AromaticContact CE2-CZ 3.72Å; F385-F432 HydrophobicContact CE2-CZ 3.72Å; F385-F432 HydrophobicContact CG-CE1 4.48Å; F385-F432 HydrophobicContact CG-CZ 4.32Å; I421-F432 HydrophobicContact CB-CE1 4.16Å; I421-F432 HydrophobicContact CB-CZ 4.18Å; I421-F432 HydrophobicContact CD1-CE1 4.21Å; I421-F432 HydrophobicContact CG1-CE1 4.35Å; I421-F432 HydrophobicContact CG2-CZ 4.22Å; K424-F432 HydrophobicContact CB-CD2 3.85Å; K424-F432 HydrophobicContact CB-CE2 4.13Å; K424-F432 HydrophobicContact CB-CG 4.35Å; K424-F432 HydrophobicContact CD-CD2 4.39Å; K424-F432 HydrophobicContact CD-CE2 3.85Å; K424-F432 HydrophobicContact CD-CZ 4.45Å; E429-F432 PolarHBondContact O-N 3.34Å; F432-G434 PolarHBondContact O-N 3.16Å; F432-A435 HydrophobicContact CB-CB 4.18Å; F432-A435 HydrophobicContact CD1-CB 4.33Å; F432-A435 WeakPolarHBondContact O-CB 3.43Å; F432-A435 PolarHBondContact O-N 3.32Å
433	E	87.8	Confident	87.1	Confident	104 Å²	104	66.2 Å²	66.2	49%	0.486	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	121.8	-179.2	-64.1	165.4	-170.5	0	0	110.6	R384 Q388 A435	R384-E433 PolarHBondContact NE-O 2.92Å; R384-E433 PolarHBondContact NH2-O 2.93Å; Q388-E433 PolarHBondContact NE2-O 3.43Å; Q388-E433 VanDerWaalsContact OE1-N 3.11Å; E433-A435 PolarHBondContact O-N 3.22Å
434	G	85.5	Confident	86.8	Confident	16 Å²	16	64 Å²	64	17%	0.165	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	19.3	-175.3	0	0	0	0	0	114.5	R384 F432	R384-G434 VanDerWaalsContact CZ-C 3.44Å; R384-G434 PolarHBondContact NH1-O 3.12Å; R384-G434 VanDerWaalsContact NH1-O 3.1Å; R384-G434 VanDerWaalsContact NH2-C 3.32Å; R384-G434 VanDerWaalsContact NH2-CA 3.31Å; R384-G434 PolarHBondContact NH2-O 3.38Å; F432-G434 PolarHBondContact O-N 3.16Å
435	A	89.1	Confident	86.4	Confident	2 Å²	2	65.1 Å²	65.1	2%	0.017	37%	0.368	C	S	.	.			trans	-72.4	-19.3	173.1	0	0	0	0	0	112.4	L381 C425 F432 E433 D437 L438	L381-A435 HydrophobicContact CD2-CB 3.76Å; C425-A435 HydrophobicContact CB-CB 4.22Å; F432-A435 HydrophobicContact CB-CB 4.18Å; F432-A435 HydrophobicContact CD1-CB 4.33Å; F432-A435 WeakPolarHBondContact O-CB 3.43Å; F432-A435 PolarHBondContact O-N 3.32Å; E433-A435 PolarHBondContact O-N 3.22Å; A435-D437 VanDerWaalsContact C-N 3.27Å; A435-D437 PolarHBondContact O-N 2.96Å; A435-L438 WeakPolarHBondContact O-CB 3.45Å; A435-L438 PolarHBondContact O-N 2.99Å
436	L	89.4	Confident	86	Confident	67 Å²	67	74 Å²	74	35%	0.351	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-61.1	-36.4	178.7	-167.3	69.1	0	0	0	112.1	Y422 V426 L438 F439	Y422-L436 HydrophobicContact CD2-CD1 4.26Å; Y422-L436 HydrophobicContact CE2-CD1 3.49Å; Y422-L436 VanDerWaalsContact CE2-CD1 3.49Å; V426-L436 HydrophobicContact CG2-CD1 3.85Å; L436-L438 PolarHBondContact O-N 2.77Å; L436-L438 VanDerWaalsContact O-N 3.13Å; L436-F439 WeakPolarHBondContact O-CB 3.23Å; L436-F439 PolarHBondContact O-N 3.5Å; L436-F439 VanDerWaalsContact O-N 3.08Å
437	D	89.4	Confident	85.7	Confident	136 Å²	136	73.1 Å²	73.1	73%	0.727	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-63.5	-18.6	180	-59.6	-28.1	0	0	0	113.4	A435	A435-D437 VanDerWaalsContact C-N 3.27Å; A435-D437 PolarHBondContact O-N 2.96Å
438	L	90	Very high	85.5	Confident	51 Å²	51	66.8 Å²	66.8	27%	0.267	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-79.5	-21.9	178.9	-58.9	175.2	0	0	0	112.2	L377 E380 L381 A435 L436	L377-L438 HydrophobicContact CD1-CB 3.89Å; L377-L438 WeakPolarHBondContact CD1-O 3.5Å; E380-L438 HydrophobicContact CB-CD1 4.32Å; E380-L438 HydrophobicContact CG-CD1 3.8Å; E380-L438 HydrophobicContact CG-CD2 3.69Å; E380-L438 HydrophobicContact CG-CG 4.37Å; L381-L438 HydrophobicContact CD2-CB 4.42Å; L381-L438 HydrophobicContact CD2-CD1 3.8Å; L381-L438 HydrophobicContact CG-CD1 4.14Å; A435-L438 WeakPolarHBondContact O-CB 3.45Å; A435-L438 PolarHBondContact O-N 2.99Å; L436-L438 PolarHBondContact O-N 2.77Å; L436-L438 VanDerWaalsContact O-N 3.13Å
439	F	91.5	Very high	85.7	Confident	17 Å²	17	64 Å²	64	8%	0.075	37%	0.366	C	S	.	.	S	Bend	trans	-70.4	148.8	-179.6	-78	-98.3	0	0	0	111.4	L377 L381 P418 I421 Y422 C425 L436 Y443	L377-F439 HydrophobicContact CD2-CD1 4.3Å; L377-F439 HydrophobicContact CD2-CE1 4.47Å; L381-F439 HydrophobicContact CD1-CE2 4.2Å; L381-F439 HydrophobicContact CD1-CZ 4.15Å; L381-F439 HydrophobicContact CD2-CE2 4.19Å; P418-F439 HydrophobicContact CB-CE1 3.79Å; P418-F439 HydrophobicContact CB-CZ 3.98Å; I421-F439 HydrophobicContact CD1-CE2 4.42Å; I421-F439 HydrophobicContact CD1-CZ 3.95Å; Y422-F439 AromaticContact CD2-CD1 3.87Å; Y422-F439 HydrophobicContact CD2-CD1 3.87Å; Y422-F439 HydrophobicContact CD2-CD2 4.21Å; Y422-F439 AromaticContact CD2-CE1 3.7Å; Y422-F439 HydrophobicContact CD2-CE1 3.7Å; Y422-F439 HydrophobicContact CD2-CE2 4.05Å; Y422-F439 HydrophobicContact CD2-CG 4.13Å; Y422-F439 AromaticContact CD2-CZ 3.79Å; Y422-F439 HydrophobicContact CD2-CZ 3.79Å; Y422-F439 HydrophobicContact CE2-CD1 4.24Å; Y422-F439 HydrophobicContact CE2-CD2 4.45Å; Y422-F439 HydrophobicContact CE2-CG 4.21Å; C425-F439 HydrophobicContact CB-CE2 4.38Å; L436-F439 WeakPolarHBondContact O-CB 3.23Å; L436-F439 PolarHBondContact O-N 3.5Å; L436-F439 VanDerWaalsContact O-N 3.08Å; F439-Y443 AromaticContact CD1-CD1 3.91Å; F439-Y443 HydrophobicContact CD1-CD1 3.91Å; F439-Y443 HydrophobicContact CD1-CD2 4.29Å; F439-Y443 HydrophobicContact CD1-CE1 4.04Å; F439-Y443 HydrophobicContact CD1-CE2 4.41Å; F439-Y443 HydrophobicContact CD1-CG 4.02Å; F439-Y443 HydrophobicContact CE1-CE1 4.2Å
440	P	89.2	Confident	85.9	Confident	43 Å²	43	60.7 Å²	60.7	28%	0.279	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-62	146.7	-180	24.4	-31.7	0	0	0	111.4	G442 Y443 L452	P440-G442 PolarHBondContact O-N 2.94Å; P440-Y443 HydrophobicContact CG-CD2 4.37Å; P440-Y443 VanDerWaalsContact O-CB 3.3Å; P440-Y443 WeakPolarHBondContact O-CB 3.41Å; P440-Y443 PolarHBondContact O-N 3.46Å; P440-Y443 VanDerWaalsContact O-N 3.09Å; P440-L452 HydrophobicContact CG-CD1 4.46Å; P440-L452 HydrophobicContact CG-CD2 4.24Å
441	P	83.7	Confident	86.5	Confident	136 Å²	136	61.8 Å²	61.8	88%	0.883	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	128.8	-178.7	25.2	-33.6	0	0	0	110.5
442	G	80.6	Confident	87	Confident	82 Å²	82	62.7 Å²	62.7	85%	0.845	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	11.8	-178	0	0	0	0	0	115.1	P440 S444	P440-G442 PolarHBondContact O-N 2.94Å; G442-S444 PolarHBondContact O-N 3.31Å
443	Y	86.4	Confident	87.4	Confident	26 Å²	26	62.5 Å²	62.5	10%	0.102	36%	0.36	C	S	.	.			trans	-52.3	135.7	173.7	176.6	-99.1	0	0	0	111.9	A419 Y422 F439 P440 T445 L452	A419-Y443 VanDerWaalsContact CA-OH 3.24Å; A419-Y443 WeakPolarHBondContact CA-OH 3.38Å; A419-Y443 WeakPolarHBondContact CB-OH 3.45Å; Y422-Y443 HydrophobicContact CD1-CE1 4.2Å; Y422-Y443 AromaticContact CD2-CD1 3.68Å; Y422-Y443 HydrophobicContact CD2-CD1 3.68Å; Y422-Y443 AromaticContact CD2-CE1 3.36Å; Y422-Y443 HydrophobicContact CD2-CE1 3.36Å; Y422-Y443 HydrophobicContact CE1-CE1 4.35Å; Y422-Y443 AromaticContact CE2-CD1 3.36Å; Y422-Y443 HydrophobicContact CE2-CD1 3.36Å; Y422-Y443 AromaticContact CE2-CE1 3.54Å; Y422-Y443 HydrophobicContact CE2-CE1 3.54Å; Y422-Y443 HydrophobicContact CG-CD1 4.38Å; Y422-Y443 AromaticContact CG-CE1 3.7Å; Y422-Y443 HydrophobicContact CG-CE1 3.7Å; Y422-Y443 AromaticContact CZ-CD1 3.85Å; F439-Y443 AromaticContact CD1-CD1 3.91Å; F439-Y443 HydrophobicContact CD1-CD1 3.91Å; F439-Y443 HydrophobicContact CD1-CD2 4.29Å; F439-Y443 HydrophobicContact CD1-CE1 4.04Å; F439-Y443 HydrophobicContact CD1-CE2 4.41Å; F439-Y443 HydrophobicContact CD1-CG 4.02Å; F439-Y443 HydrophobicContact CE1-CE1 4.2Å; P440-Y443 HydrophobicContact CG-CD2 4.37Å; P440-Y443 VanDerWaalsContact O-CB 3.3Å; P440-Y443 WeakPolarHBondContact O-CB 3.41Å; P440-Y443 PolarHBondContact O-N 3.46Å; P440-Y443 VanDerWaalsContact O-N 3.09Å; Y443-T445 HydrophobicContact CE1-CG2 4.29Å; Y443-L452 HydrophobicContact CD2-CD1 3.87Å; Y443-L452 HydrophobicContact CE2-CD1 3.64Å
444	S	84	Confident	87.8	Confident	51 Å²	51	58 Å²	58	36%	0.357	34%	0.341	S	S	.	.			trans	-135.9	137.2	178.5	-174.4	0	0	0	0	111.3	G442 K446 A447	G442-S444 PolarHBondContact O-N 3.31Å; S444-K446 PolarHBondContact O-N 3.22Å; S444-K446 VanDerWaalsContact O-N 3.16Å; S444-K446 PolarHBondContact OG-N 2.81Å; S444-A447 VanDerWaalsContact O-O 3.08Å
445	T	79.8	Confident	88.2	Confident	61 Å²	61	57.2 Å²	57.2	37%	0.374	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12	175.5	56.9	0	0	0	0	113.7	Y422 Y443 K489	Y422-T445 HydrophobicContact CD1-CG2 3.65Å; Y422-T445 HydrophobicContact CE1-CG2 4Å; Y422-T445 HydrophobicContact CG-CG2 4.38Å; Y443-T445 HydrophobicContact CE1-CG2 4.29Å; T445-K489 PolarHBondContact O-NZ 2.88Å
446	K	79.6	Confident	88.5	Confident	187 Å²	187	57.1 Å²	57.1	81%	0.813	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-44.2	179.2	-69.3	-175.9	-178.9	176.4	0	112.3	S444	S444-K446 PolarHBondContact O-N 3.22Å; S444-K446 VanDerWaalsContact O-N 3.16Å; S444-K446 PolarHBondContact OG-N 2.81Å
447	A	82.6	Confident	88.8	Confident	61 Å²	61	55.5 Å²	55.5	50%	0.504	33%	0.325	S	S	.	.	S	Bend	trans	-90.8	135.1	176.9	0	0	0	0	0	109.5	S444	S444-A447 VanDerWaalsContact O-O 3.08Å
448	L	86.6	Confident	89.2	Confident	14 Å²	14	50.7 Å²	50.7	7%	0.073	30%	0.301	C	S	.	.			trans	-87.1	128.9	169.6	179	71.8	0	0	0	108.4	P450 L486 K489 L490	L448-P450 HydrophobicContact CD2-CG 4.49Å; L448-P450 HydrophobicContact CG-CG 4.5Å; L448-P450 WeakPolarHBondContact O-CD 3.31Å; L448-L486 HydrophobicContact CD1-CB 4.39Å; L448-L486 HydrophobicContact CD1-CD2 4.12Å; L448-L486 WeakPolarHBondContact CD2-O 3.36Å; L448-K489 HydrophobicContact CB-CB 3.98Å; L448-K489 HydrophobicContact CD2-CB 4.34Å; L448-L490 HydrophobicContact CD2-CB 3.53Å; L448-L490 HydrophobicContact CD2-CD1 4.03Å; L448-L490 HydrophobicContact CD2-CG 4.35Å
449	E	89.3	Confident	89.5	Confident	68 Å²	68	48.2 Å²	48.2	32%	0.318	29%	0.288	S	S	.	.			trans	-109.3	94.2	171.3	-70.8	178.6	-136.8	0	0	109.6	H417 Q451 L452	H417-E449 PolarHBondContact NE2-O 3.36Å; H417-E449 VanDerWaalsContact NE2-O 3.09Å; E449-Q451 PolarHBondContact O-N 2.96Å; E449-L452 HydrophobicContact CB-CD1 3.82Å; E449-L452 HydrophobicContact CB-CG 3.82Å; E449-L452 PolarHBondContact O-N 3.3Å; E449-L452 VanDerWaalsContact O-N 3.13Å
450	P	90.6	Very high	89.7	Confident	11 Å²	11	48 Å²	48	7%	0.071	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-56.2	-29.9	-177.1	-26.9	36.8	0	0	0	113.1	L448 L452 S453 M456 V457 D460 L490	L448-P450 HydrophobicContact CD2-CG 4.49Å; L448-P450 HydrophobicContact CG-CG 4.5Å; L448-P450 WeakPolarHBondContact O-CD 3.31Å; P450-L452 PolarHBondContact O-N 3.27Å; P450-L452 VanDerWaalsContact O-N 3.15Å; P450-S453 PolarHBondContact O-N 2.89Å; P450-S453 VanDerWaalsContact O-O 3.13Å; P450-M456 HydrophobicContact CB-CG 3.92Å; P450-V457 WeakPolarHBondContact O-CG2 3.31Å; P450-V457 PolarHBondContact O-N 3.25Å; P450-D460 HydrophobicContact CB-CB 4.45Å; P450-L490 HydrophobicContact CG-CD1 3.72Å
451	Q	92.6	Very high	90	Very high	160 Å²	160	53.4 Å²	53.4	75%	0.748	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-61.6	-18.5	-178.1	-59.9	178.6	23.9	0	0	114	T375 E449 S453 V457	T375-Q451 WeakPolarHBondContact CG2-O 3.45Å; E449-Q451 PolarHBondContact O-N 2.96Å; Q451-S453 VanDerWaalsContact C-N 3.28Å; Q451-S453 PolarHBondContact O-N 3.39Å; Q451-V457 VanDerWaalsContact CA-CG2 3.48Å
452	L	92.6	Very high	90.6	Very high	20 Å²	20	48.2 Å²	48.2	11%	0.105	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-79.7	-9.7	179.4	-58	-178.3	0	0	0	113.1	T375 L377 P418 P440 Y443 E449 P450	T375-L452 WeakPolarHBondContact CG2-O 3.31Å; T375-L452 PolarHBondContact OG1-O 3.25Å; L377-L452 HydrophobicContact CD2-CB 4.46Å; L377-L452 HydrophobicContact CD2-CD1 4.49Å; L377-L452 HydrophobicContact CD2-CD2 4.02Å; P418-L452 WeakPolarHBondContact CD-O 3.27Å; P418-L452 HydrophobicContact CG-CB 4.33Å; P418-L452 WeakPolarHBondContact CG-O 3.3Å; P440-L452 HydrophobicContact CG-CD1 4.46Å; P440-L452 HydrophobicContact CG-CD2 4.24Å; Y443-L452 HydrophobicContact CD2-CD1 3.87Å; Y443-L452 HydrophobicContact CE2-CD1 3.64Å; E449-L452 HydrophobicContact CB-CD1 3.82Å; E449-L452 HydrophobicContact CB-CG 3.82Å; E449-L452 PolarHBondContact O-N 3.3Å; E449-L452 VanDerWaalsContact O-N 3.13Å; P450-L452 PolarHBondContact O-N 3.27Å; P450-L452 VanDerWaalsContact O-N 3.15Å
453	S	95.4	Very high	91.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.			trans	-133.3	127.7	176.8	169.8	0	0	0	0	113	Q378 N416 H417 P450 Q451 K455 M456 V457	Q378-S453 PolarHBondContact NE2-OG 3.07Å; N416-S453 WeakPolarHBondContact O-CB 3.31Å; N416-S453 PolarHBondContact O-OG 3.4Å; H417-S453 VanDerWaalsContact CD2-CB 3.49Å; H417-S453 WeakPolarHBondContact CD2-CB 3.31Å; P450-S453 PolarHBondContact O-N 2.89Å; P450-S453 VanDerWaalsContact O-O 3.13Å; Q451-S453 VanDerWaalsContact C-N 3.28Å; Q451-S453 PolarHBondContact O-N 3.39Å; S453-K455 VanDerWaalsContact C-N 3.3Å; S453-K455 PolarHBondContact O-N 2.92Å; S453-M456 PolarHBondContact O-N 3.09Å; S453-M456 VanDerWaalsContact O-N 3.07Å; S453-M456 PolarHBondContact OG-N 3.26Å; S453-V457 WeakPolarHBondContact O-CG2 3.42Å; S453-V457 PolarHBondContact O-N 3.06Å
454	G	94.9	Very high	91.8	Very high	9 Å²	9	44.9 Å²	44.9	9%	0.093	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-39.7	-179.3	0	0	0	0	0	113.2	K373 Q378 T458	K373-G454 WeakPolarHBondContact O-CA 3.45Å; Q378-G454 VanDerWaalsContact OE1-N 3.12Å; G454-T458 WeakPolarHBondContact O-CB 3.29Å; G454-T458 PolarHBondContact O-N 3.4Å; G454-T458 VanDerWaalsContact O-N 3.1Å; G454-T458 PolarHBondContact O-OG1 3.47Å
455	K	95.4	Very high	92.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.8	-39.2	175.3	-67.3	-164.1	-60.2	176.2	0	112.3	C372 C415 N416 S453 T458 L459 F549 L579 E586	C372-K455 HydrophobicContact CB-CG 3.85Å; C415-K455 WeakPolarHBondContact O-CE 3.32Å; N416-K455 WeakPolarHBondContact OD1-CE 3.39Å; N416-K455 PolarHBondContact OD1-NZ 3.2Å; S453-K455 VanDerWaalsContact C-N 3.3Å; S453-K455 PolarHBondContact O-N 2.92Å; K455-T458 PolarHBondContact O-N 3.42Å; K455-L459 WeakPolarHBondContact O-CB 3.49Å; K455-L459 PolarHBondContact O-N 3.45Å; K455-F549 HydrophobicContact CB-CE1 4.5Å; K455-F549 HydrophobicContact CB-CE2 3.87Å; K455-F549 HydrophobicContact CB-CZ 3.75Å; K455-F549 PolarHBondContact NZ-O 3.48Å; K455-L579 HydrophobicContact CD-CB 4.11Å; K455-L579 HydrophobicContact CG-CB 4.41Å; K455-E586 WeakPolarHBondContact CD-OE2 3.42Å; K455-E586 WeakPolarHBondContact CE-OE2 3.48Å; K455-E586 IonicContact NZ-OE1 3.6Å; K455-E586 PolarHBondContact NZ-OE1 3.45Å; K455-E586 IonicContact NZ-OE2 3.23Å; K455-E586 PolarHBondContact NZ-OE2 3.34Å
456	M	95.5	Very high	93.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-69	-39.2	179.7	-167.7	62.6	69.7	0	0	111.8	P450 S453 L459 D460 L486 F487 L490 F549	P450-M456 HydrophobicContact CB-CG 3.92Å; S453-M456 PolarHBondContact O-N 3.09Å; S453-M456 VanDerWaalsContact O-N 3.07Å; S453-M456 PolarHBondContact OG-N 3.26Å; M456-L459 PolarHBondContact O-N 2.7Å; M456-L459 HydrophobicContact SD-CD2 4Å; M456-D460 WeakPolarHBondContact O-CB 3.22Å; M456-D460 PolarHBondContact O-N 3.37Å; M456-L486 HydrophobicContact CE-CB 4.08Å; M456-L486 HydrophobicContact CE-CD1 4.37Å; M456-F487 HydrophobicContact CE-CD1 4.1Å; M456-F487 HydrophobicContact CE-CE1 3.97Å; M456-F487 HydrophobicContact SD-CD1 4.41Å; M456-F487 HydrophobicContact SD-CE1 4.45Å; M456-L490 HydrophobicContact SD-CD2 3.93Å; M456-F549 HydrophobicContact CE-CE2 4.42Å; M456-F549 HydrophobicContact CE-CZ 3.91Å
457	V	95.8	Very high	93.8	Very high	33 Å²	33	42 Å²	42	20%	0.2	22%	0.217	C	C	.	.	H	α-helix	trans	-57.7	-50.3	170.4	172.3	0	0	0	0	110.9	P450 Q451 S453 L459 D460 Y461	P450-V457 WeakPolarHBondContact O-CG2 3.31Å; P450-V457 PolarHBondContact O-N 3.25Å; Q451-V457 VanDerWaalsContact CA-CG2 3.48Å; S453-V457 WeakPolarHBondContact O-CG2 3.42Å; S453-V457 PolarHBondContact O-N 3.06Å; V457-L459 VanDerWaalsContact C-N 3.32Å; V457-L459 PolarHBondContact O-N 3.08Å; V457-D460 PolarHBondContact O-N 3.21Å; V457-Y461 HydrophobicContact CG1-CD2 3.73Å; V457-Y461 HydrophobicContact CG1-CE2 3.25Å; V457-Y461 WeakPolarHBondContact O-CD2 3.34Å; V457-Y461 PolarHBondContact O-N 3.45Å
458	T	96.3	Very high	94.3	Very high	34 Å²	34	43.7 Å²	43.7	21%	0.209	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-41.9	-179.2	-56.3	0	0	0	0	111.4	V370 C372 G454 K455 Y461 I462 L579	V370-T458 HydrophobicContact CG1-CG2 4.01Å; C372-T458 PolarHBondContact SG-OG1 2.89Å; G454-T458 WeakPolarHBondContact O-CB 3.29Å; G454-T458 PolarHBondContact O-N 3.4Å; G454-T458 VanDerWaalsContact O-N 3.1Å; G454-T458 PolarHBondContact O-OG1 3.47Å; K455-T458 PolarHBondContact O-N 3.42Å; T458-Y461 PolarHBondContact O-N 3.35Å; T458-I462 HydrophobicContact CG2-CD1 4.09Å; T458-I462 WeakPolarHBondContact O-CG1 3.47Å; T458-I462 PolarHBondContact O-N 3.47Å; T458-L579 HydrophobicContact CG2-CD2 4.22Å
459	L	96.9	Very high	94.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-46.9	173.8	174.7	64.7	0	0	0	111.9	K455 M456 V457 Y461 I462 L463 L476 F487 L490 V547 F549 L579	K455-L459 WeakPolarHBondContact O-CB 3.49Å; K455-L459 PolarHBondContact O-N 3.45Å; M456-L459 PolarHBondContact O-N 2.7Å; M456-L459 HydrophobicContact SD-CD2 4Å; V457-L459 VanDerWaalsContact C-N 3.32Å; V457-L459 PolarHBondContact O-N 3.08Å; L459-Y461 VanDerWaalsContact C-N 3.29Å; L459-Y461 PolarHBondContact O-N 2.88Å; L459-I462 PolarHBondContact O-N 3.01Å; L459-L463 HydrophobicContact CD1-CD1 3.99Å; L459-L463 HydrophobicContact CD1-CG 4.02Å; L459-L463 HydrophobicContact CG-CD1 4.01Å; L459-L463 HydrophobicContact CG-CG 4.41Å; L459-L463 WeakPolarHBondContact O-CB 3.35Å; L459-L463 VanDerWaalsContact O-CG 3.3Å; L459-L463 WeakPolarHBondContact O-CG 3.44Å; L459-L463 PolarHBondContact O-N 3.34Å; L459-L476 HydrophobicContact CD1-CD2 3.63Å; L459-F487 HydrophobicContact CD2-CD1 3.73Å; L459-F487 HydrophobicContact CD2-CE1 3.42Å; L459-F487 VanDerWaalsContact CD2-CE1 3.42Å; L459-F487 HydrophobicContact CD2-CZ 4.16Å; L459-L490 HydrophobicContact CD2-CD2 4.2Å; L459-L490 HydrophobicContact CG-CD2 4.42Å; L459-V547 HydrophobicContact CD1-CB 4.3Å; L459-V547 HydrophobicContact CD1-CG1 3.98Å; L459-V547 HydrophobicContact CD1-CG2 4.23Å; L459-F549 HydrophobicContact CB-CD2 4.45Å; L459-F549 HydrophobicContact CB-CE2 4.11Å; L459-F549 HydrophobicContact CD2-CD2 3.92Å; L459-F549 HydrophobicContact CD2-CE2 3.85Å; L459-L579 HydrophobicContact CB-CD1 4.17Å
460	D	96.2	Very high	94.9	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.064	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-40.8	179.1	-165.4	24.6	0	0	0	110.9	P450 M456 V457 L463 A464 L490 R494	P450-D460 HydrophobicContact CB-CB 4.45Å; M456-D460 WeakPolarHBondContact O-CB 3.22Å; M456-D460 PolarHBondContact O-N 3.37Å; V457-D460 PolarHBondContact O-N 3.21Å; D460-L463 PolarHBondContact O-N 2.94Å; D460-A464 VanDerWaalsContact O-CB 3.24Å; D460-A464 WeakPolarHBondContact O-CB 3.14Å; D460-A464 PolarHBondContact O-N 3.02Å; D460-L490 HydrophobicContact CB-CD1 4.45Å; D460-R494 IonicContact OD1-CZ 3.55Å; D460-R494 IonicContact OD1-NE 2.91Å; D460-R494 PolarHBondContact OD1-NE 3.43Å; D460-R494 IonicContact OD1-NH2 2.71Å; D460-R494 IonicContact OD2-CZ 3.36Å; D460-R494 IonicContact OD2-NE 2.76Å; D460-R494 PolarHBondContact OD2-NE 3.44Å; D460-R494 IonicContact OD2-NH2 2.87Å; D460-R494 PolarHBondContact OD2-NH2 3Å
461	Y	95.9	Very high	94.9	Very high	157 Å²	157	49.3 Å²	49.3	62%	0.616	28%	0.279	S	S	*	.	H	α-helix	trans	-63.8	-47.4	173.1	-69.8	-41.2	0	0	0	113.2	V457 T458 L459 L463 A464 V465	V457-Y461 HydrophobicContact CG1-CD2 3.73Å; V457-Y461 HydrophobicContact CG1-CE2 3.25Å; V457-Y461 WeakPolarHBondContact O-CD2 3.34Å; V457-Y461 PolarHBondContact O-N 3.45Å; T458-Y461 PolarHBondContact O-N 3.35Å; L459-Y461 VanDerWaalsContact C-N 3.29Å; L459-Y461 PolarHBondContact O-N 2.88Å; Y461-L463 VanDerWaalsContact C-N 3.28Å; Y461-L463 PolarHBondContact O-N 3.05Å; Y461-A464 PolarHBondContact O-N 3.37Å; Y461-V465 WeakPolarHBondContact O-CB 3.48Å; Y461-V465 VanDerWaalsContact O-CG2 3.32Å; Y461-V465 WeakPolarHBondContact O-CG2 3.36Å; Y461-V465 PolarHBondContact O-N 3.06Å
462	I	95.9	Very high	95	Very high	26 Å²	26	42.5 Å²	42.5	13%	0.133	25%	0.248	C	C	.	.	H	α-helix	trans	-57.5	-45.2	177.9	-70.5	166.9	0	0	0	110.2	T458 L459 T466 V547 Y577 L579	T458-I462 HydrophobicContact CG2-CD1 4.09Å; T458-I462 WeakPolarHBondContact O-CG1 3.47Å; T458-I462 PolarHBondContact O-N 3.47Å; L459-I462 PolarHBondContact O-N 3.01Å; I462-T466 VanDerWaalsContact O-CB 3.24Å; I462-T466 WeakPolarHBondContact O-CB 3.19Å; I462-T466 PolarHBondContact O-N 2.99Å; I462-T466 PolarHBondContact O-OG1 3.16Å; I462-V547 HydrophobicContact CG2-CG2 4.27Å; I462-Y577 HydrophobicContact CD1-CD1 4.24Å; I462-Y577 HydrophobicContact CD1-CG 4.33Å; I462-Y577 HydrophobicContact CG2-CD2 4.47Å; I462-Y577 HydrophobicContact CG2-CE2 4.32Å; I462-L579 HydrophobicContact CD1-CD2 4.07Å
463	L	96.3	Very high	95.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.6	-45	179.4	-68.2	177.2	0	0	0	112	L459 D460 Y461 T466 R467 V474 L476 L490 Y496 F525 I526	L459-L463 HydrophobicContact CD1-CD1 3.99Å; L459-L463 HydrophobicContact CD1-CG 4.02Å; L459-L463 HydrophobicContact CG-CD1 4.01Å; L459-L463 HydrophobicContact CG-CG 4.41Å; L459-L463 WeakPolarHBondContact O-CB 3.35Å; L459-L463 VanDerWaalsContact O-CG 3.3Å; L459-L463 WeakPolarHBondContact O-CG 3.44Å; L459-L463 PolarHBondContact O-N 3.34Å; D460-L463 PolarHBondContact O-N 2.94Å; Y461-L463 VanDerWaalsContact C-N 3.28Å; Y461-L463 PolarHBondContact O-N 3.05Å; L463-T466 PolarHBondContact O-N 2.91Å; L463-R467 VanDerWaalsContact O-CB 3.32Å; L463-R467 WeakPolarHBondContact O-CB 3.31Å; L463-R467 PolarHBondContact O-N 3.21Å; L463-V474 HydrophobicContact CD2-CB 4.11Å; L463-V474 HydrophobicContact CD2-CG1 3.91Å; L463-V474 HydrophobicContact CD2-CG2 4.09Å; L463-L476 HydrophobicContact CD1-CD1 4.43Å; L463-L476 HydrophobicContact CD2-CD2 4.37Å; L463-L490 HydrophobicContact CD1-CD2 4.15Å; L463-Y496 HydrophobicContact CB-CE2 4.02Å; L463-Y496 HydrophobicContact CD1-CE2 4.43Å; L463-F525 HydrophobicContact CD2-CE1 4.23Å; L463-F525 HydrophobicContact CD2-CZ 4.33Å; L463-I526 HydrophobicContact CD1-CD1 4Å; L463-I526 HydrophobicContact CD2-CD1 3.99Å; L463-I526 HydrophobicContact CD2-CG1 4.25Å
464	A	94.8	Very high	95.2	Very high	39 Å²	39	42.7 Å²	42.7	32%	0.322	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-48.5	179.3	0	0	0	0	0	111.9	D460 Y461 R467 S468	D460-A464 VanDerWaalsContact O-CB 3.24Å; D460-A464 WeakPolarHBondContact O-CB 3.14Å; D460-A464 PolarHBondContact O-N 3.02Å; Y461-A464 PolarHBondContact O-N 3.37Å; A464-R467 PolarHBondContact O-N 2.98Å; A464-S468 WeakPolarHBondContact O-CB 3.45Å; A464-S468 PolarHBondContact O-N 3.47Å; A464-S468 PolarHBondContact O-OG 3.22Å; A464-S468 VanDerWaalsContact O-OG 3.12Å
465	V	96	Very high	95.3	Very high	88 Å²	88	42.3 Å²	42.3	53%	0.533	24%	0.243	S	C	.	.	H	α-helix	trans	-63.6	-43.3	177.6	172.9	0	0	0	0	110.9	Y461 R467 S468 T469	Y461-V465 WeakPolarHBondContact O-CB 3.48Å; Y461-V465 VanDerWaalsContact O-CG2 3.32Å; Y461-V465 WeakPolarHBondContact O-CG2 3.36Å; Y461-V465 PolarHBondContact O-N 3.06Å; V465-R467 VanDerWaalsContact C-N 3.31Å; V465-R467 PolarHBondContact O-N 3.44Å; V465-S468 PolarHBondContact O-N 3.09Å; V465-S468 PolarHBondContact O-OG 2.82Å; V465-T469 WeakPolarHBondContact O-CB 3.45Å; V465-T469 PolarHBondContact O-N 2.78Å; V465-T469 PolarHBondContact O-OG1 3.1Å
466	T	95.6	Very high	95.3	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.037	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-46.1	177.2	-60.3	0	0	0	0	110.2	I462 L463 T470 D472 V474 F525	I462-T466 VanDerWaalsContact O-CB 3.24Å; I462-T466 WeakPolarHBondContact O-CB 3.19Å; I462-T466 PolarHBondContact O-N 2.99Å; I462-T466 PolarHBondContact O-OG1 3.16Å; L463-T466 PolarHBondContact O-N 2.91Å; T466-T470 WeakPolarHBondContact CG2-OG1 3.44Å; T466-T470 CarbonylContact O-C 3.55Å; T466-T470 WeakPolarHBondContact O-CA 3.16Å; T466-T470 PolarHBondContact O-N 3.23Å; T466-T470 PolarHBondContact O-OG1 3.34Å; T466-D472 HydrophobicContact CG2-CB 3.93Å; T466-V474 HydrophobicContact CG2-CG2 3.84Å; T466-F525 HydrophobicContact CG2-CE2 4Å; T466-F525 HydrophobicContact CG2-CZ 4.18Å
467	R	93.6	Very high	95.3	Very high	143 Å²	143	42.4 Å²	42.4	54%	0.54	24%	0.244	S	C	.	.	H	α-helix	trans	-69.1	-35	-177.3	-175.8	58.9	178.6	169.1	2.1	113.4	L463 A464 V465 Y496 F525	L463-R467 VanDerWaalsContact O-CB 3.32Å; L463-R467 WeakPolarHBondContact O-CB 3.31Å; L463-R467 PolarHBondContact O-N 3.21Å; A464-R467 PolarHBondContact O-N 2.98Å; V465-R467 VanDerWaalsContact C-N 3.31Å; V465-R467 PolarHBondContact O-N 3.44Å; R467-Y496 HydrophobicContact CB-CE1 4.35Å; R467-Y496 HydrophobicContact CG-CE1 4.04Å; R467-F525 HydrophobicContact CB-CE1 4.1Å; R467-F525 HydrophobicContact CB-CE2 4.44Å; R467-F525 HydrophobicContact CB-CZ 3.89Å
468	S	94.5	Very high	95.2	Very high	97 Å²	97	40.9 Å²	40.9	68%	0.678	24%	0.235	S	C	*	.	H	α-helix	trans	-81.4	-34.7	-179.7	63	0	0	0	0	113	A464 V465	A464-S468 WeakPolarHBondContact O-CB 3.45Å; A464-S468 PolarHBondContact O-N 3.47Å; A464-S468 PolarHBondContact O-OG 3.22Å; A464-S468 VanDerWaalsContact O-OG 3.12Å; V465-S468 PolarHBondContact O-N 3.09Å; V465-S468 PolarHBondContact O-OG 2.82Å
469	T	94.9	Very high	94.8	Very high	102 Å²	102	40.4 Å²	40.4	63%	0.626	23%	0.231	S	C	*	.	H	α-helix	trans	-97.8	-27.7	-170.6	-46	0	0	0	0	112.3	V465	V465-T469 WeakPolarHBondContact O-CB 3.45Å; V465-T469 PolarHBondContact O-N 2.78Å; V465-T469 PolarHBondContact O-OG1 3.1Å
470	T	93.6	Very high	94.4	Very high	42 Å²	42	42.8 Å²	42.8	26%	0.258	24%	0.24	S	C	.	.			trans	-137.7	156.4	-171.8	66	0	0	0	0	112.9	T466 D472	T466-T470 WeakPolarHBondContact CG2-OG1 3.44Å; T466-T470 CarbonylContact O-C 3.55Å; T466-T470 WeakPolarHBondContact O-CA 3.16Å; T466-T470 PolarHBondContact O-N 3.23Å; T466-T470 PolarHBondContact O-OG1 3.34Å; T470-D472 PolarHBondContact O-N 2.98Å; T470-D472 WeakPolarHBondContact OG1-CB 3.21Å
471	G	89.7	Confident	94.1	Very high	68 Å²	68	45.7 Å²	45.7	70%	0.701	26%	0.259	S	S	*	.			trans	-88.2	27.1	169	0	0	0	0	0	113.2
472	D	94.6	Very high	94	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.091	25%	0.246	C	C	.	.			trans	-80.4	147.9	-173.9	-73.7	-11.6	0	0	0	111.4	T466 T470 F525 N544 R545 K572	T466-D472 HydrophobicContact CG2-CB 3.93Å; T470-D472 PolarHBondContact O-N 2.98Å; T470-D472 WeakPolarHBondContact OG1-CB 3.21Å; D472-F525 WeakPolarHBondContact O-CD2 3.4Å; D472-F525 WeakPolarHBondContact O-CE2 3.18Å; D472-N544 WeakPolarHBondContact CB-OD1 3.28Å; D472-N544 VanDerWaalsContact CG-CG 3.46Å; D472-N544 PolarHBondContact OD1-ND2 2.62Å; D472-N544 PolarHBondContact OD1-OD1 3.38Å; D472-N544 PolarHBondContact OD2-ND2 3.35Å; D472-R545 HydrophobicContact CB-CG 4.48Å; D472-R545 IonicContact OD2-CZ 3.29Å; D472-R545 IonicContact OD2-NE 2.72Å; D472-R545 PolarHBondContact OD2-NE 3.45Å; D472-R545 IonicContact OD2-NH2 2.62Å; D472-R545 PolarHBondContact OD2-NH2 3.36Å; D472-R545 VanDerWaalsContact OD2-NH2 3.08Å; D472-K572 IonicContact OD1-NZ 3.44Å; D472-K572 PolarHBondContact OD1-NZ 3.06Å
473	K	95.8	Very high	93.9	Very high	24 Å²	24	40.7 Å²	40.7	10%	0.104	24%	0.24	C	C	.	.			trans	-100.4	145.8	172.4	-67.9	178.3	176.2	178.3	0	109.6	F517 S519 N522 E524 F525 A543 N544 R545	K473-F517 HydrophobicContact CB-CE2 4.25Å; K473-F517 HydrophobicContact CB-CZ 3.8Å; K473-F517 HydrophobicContact CD-CD2 4.46Å; K473-F517 HydrophobicContact CD-CE2 3.94Å; K473-F517 HydrophobicContact CD-CZ 4.04Å; K473-F517 HydrophobicContact CG-CE2 4.47Å; K473-F517 HydrophobicContact CG-CZ 4.45Å; K473-F517 PolarHBondContact NZ-O 3.25Å; K473-S519 PolarHBondContact NZ-O 3Å; K473-N522 VanDerWaalsContact CE-O 3.27Å; K473-N522 WeakPolarHBondContact CE-O 3.45Å; K473-N522 PolarHBondContact NZ-O 2.56Å; K473-E524 VanDerWaalsContact CE-O 3.24Å; K473-E524 WeakPolarHBondContact CE-O 3.41Å; K473-F525 WeakPolarHBondContact CA-O 3.48Å; K473-A543 HydrophobicContact CB-CB 4.12Å; K473-A543 WeakPolarHBondContact O-CB 3.12Å; K473-N544 PolarHBondContact O-N 3.31Å; K473-R545 PolarHBondContact O-N 3.19Å
474	V	96.8	Very high	93.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136	-172.9	-173.2	0	0	0	0	110.9	L463 T466 L476 F525 I526 F527 R545 V547	L463-V474 HydrophobicContact CD2-CB 4.11Å; L463-V474 HydrophobicContact CD2-CG1 3.91Å; L463-V474 HydrophobicContact CD2-CG2 4.09Å; T466-V474 HydrophobicContact CG2-CG2 3.84Å; V474-L476 HydrophobicContact CG1-CD2 3.9Å; V474-F525 HydrophobicContact CG2-CE2 3.82Å; V474-F525 HydrophobicContact CG2-CZ 3.9Å; V474-F525 PolarHBondContact N-O 3.1Å; V474-I526 CarbonylContact O-C 3.6Å; V474-I526 WeakPolarHBondContact O-CA 3.36Å; V474-F527 PolarHBondContact O-N 2.9Å; V474-R545 CarbonylContact C-O 3.58Å; V474-R545 WeakPolarHBondContact CA-O 3.34Å; V474-R545 HydrophobicContact CG1-CB 4.45Å; V474-R545 HydrophobicContact CG2-CB 4.22Å; V474-V547 HydrophobicContact CG1-CG2 4.1Å
475	V	96.3	Very high	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.2	169.7	179.7	0	0	0	0	109.3	V477 F517 F527 L529 L540 A543 R545 L546 V547 V565	V475-V477 HydrophobicContact CG1-CG2 4Å; V475-F517 HydrophobicContact CG2-CE1 4.44Å; V475-F527 CarbonylContact C-O 3.43Å; V475-F527 VanDerWaalsContact CA-O 3.23Å; V475-F527 WeakPolarHBondContact CA-O 3.27Å; V475-F527 HydrophobicContact CG2-CB 4.39Å; V475-L529 HydrophobicContact CG1-CD2 3.19Å; V475-L540 HydrophobicContact CG1-CD1 4.03Å; V475-L540 HydrophobicContact CG2-CB 4.3Å; V475-L540 HydrophobicContact CG2-CD1 4.08Å; V475-A543 HydrophobicContact CG2-CB 3.49Å; V475-A543 VanDerWaalsContact CG2-CB 3.49Å; V475-R545 PolarHBondContact N-O 3.06Å; V475-L546 HydrophobicContact CB-CB 4.36Å; V475-L546 HydrophobicContact CB-CD1 4.21Å; V475-L546 HydrophobicContact CB-CG 4.19Å; V475-L546 HydrophobicContact CG1-CD1 4.01Å; V475-L546 HydrophobicContact CG1-CG 4.27Å; V475-L546 CarbonylContact O-C 3.58Å; V475-L546 VanDerWaalsContact O-CA 3.31Å; V475-L546 WeakPolarHBondContact O-CA 3.25Å; V475-V547 PolarHBondContact O-N 3.26Å; V475-V565 HydrophobicContact CB-CG2 4.11Å; V475-V565 HydrophobicContact CG2-CG2 3.65Å
476	L	96.4	Very high	93.8	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.1	174.7	-60.2	-176.1	0	0	0	110	L459 L463 V474 F487 I526 F527 M528 L529 V547	L459-L476 HydrophobicContact CD1-CD2 3.63Å; L463-L476 HydrophobicContact CD1-CD1 4.43Å; L463-L476 HydrophobicContact CD2-CD2 4.37Å; V474-L476 HydrophobicContact CG1-CD2 3.9Å; L476-F487 HydrophobicContact CB-CD2 4.07Å; L476-F487 HydrophobicContact CB-CE2 4.13Å; L476-F487 HydrophobicContact CD1-CB 4.3Å; L476-F487 HydrophobicContact CD1-CD2 4.05Å; L476-F487 HydrophobicContact CD1-CG 4.11Å; L476-I526 HydrophobicContact CD1-CG2 3.67Å; L476-I526 HydrophobicContact CG-CG2 3.83Å; L476-F527 PolarHBondContact N-O 3.48Å; L476-M528 HydrophobicContact CB-CB 4.06Å; L476-M528 CarbonylContact O-C 3.55Å; L476-M528 VanDerWaalsContact O-CA 3.29Å; L476-M528 WeakPolarHBondContact O-CA 3.21Å; L476-L529 PolarHBondContact O-N 3.22Å; L476-V547 HydrophobicContact CD2-CB 3.75Å; L476-V547 HydrophobicContact CD2-CG2 3.96Å
477	V	94.8	Very high	93.8	Very high	1 Å²	1	38 Å²	38	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.7	-179.7	-172.7	0	0	0	0	109.7	V475 L529 S531 L546 V547 M548 F549 A561	V475-V477 HydrophobicContact CG1-CG2 4Å; V477-L529 WeakPolarHBondContact CA-O 3.29Å; V477-L529 HydrophobicContact CG2-CD2 3.86Å; V477-L529 HydrophobicContact CG2-CG 4.25Å; V477-S531 VanDerWaalsContact CG1-OG 3.26Å; V477-S531 WeakPolarHBondContact CG1-OG 3.24Å; V477-L546 HydrophobicContact CG2-CD1 4.03Å; V477-L546 HydrophobicContact CG2-CD2 4.16Å; V477-L546 HydrophobicContact CG2-CG 4.08Å; V477-V547 PolarHBondContact N-O 2.88Å; V477-M548 HydrophobicContact CB-CE 4.16Å; V477-M548 HydrophobicContact CB-SD 3.9Å; V477-M548 HydrophobicContact CG1-CE 3.85Å; V477-M548 HydrophobicContact CG1-SD 3.67Å; V477-F549 WeakPolarHBondContact O-CB 3.16Å; V477-F549 PolarHBondContact O-N 3.39Å; V477-A561 HydrophobicContact CG1-CB 4Å; V477-A561 HydrophobicContact CG2-CB 4.5Å
478	S	93.5	Very high	93.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	149.1	171.4	174.1	0	0	0	0	110.2	Y480 T483 L529 S530 S531 D550	S478-Y480 VanDerWaalsContact C-N 3.28Å; S478-Y480 PolarHBondContact OG-N 2.84Å; S478-Y480 VanDerWaalsContact OG-N 3.17Å; S478-Y480 PolarHBondContact OG-O 2.9Å; S478-T483 WeakPolarHBondContact OG-CB 3.14Å; S478-L529 PolarHBondContact N-O 2.92Å; S478-S530 CarbonylContact O-C 3.53Å; S478-S530 WeakPolarHBondContact O-CA 3.41Å; S478-S531 PolarHBondContact O-N 3.02Å; S478-S531 PolarHBondContact O-OG 3.16Å; S478-D550 VanDerWaalsContact CB-OD1 3.29Å; S478-D550 WeakPolarHBondContact CB-OD1 3.31Å; S478-D550 PolarHBondContact OG-OD1 2.96Å
479	N	87.9	Confident	93.9	Very high	25 Å²	25	31.4 Å²	31.4	13%	0.134	18%	0.181	C	C	.	.	S	Bend	trans	-76.3	-19.3	173.6	-63	-61.4	0	0	0	112.4	S531 D550	N479-S531 WeakPolarHBondContact OD1-CB 3.43Å; N479-S531 PolarHBondContact OD1-OG 3.28Å; N479-D550 WeakPolarHBondContact CB-OD2 3.16Å; N479-D550 VanDerWaalsContact CG-OD2 3.3Å; N479-D550 PolarHBondContact N-OD2 3.43Å; N479-D550 PolarHBondContact ND2-O 3.31Å; N479-D550 PolarHBondContact ND2-OD2 2.86Å
480	Y	89.3	Confident	93.9	Very high	49 Å²	49	26.6 Å²	26.6	19%	0.192	15%	0.151	C	C	.	.			trans	-110.3	125.9	-172.2	-59	-85.1	0	0	0	111.9	K412 S478 Q482 T483 L484	K412-Y480 WeakPolarHBondContact CD-OH 3.31Å; K412-Y480 VanDerWaalsContact CE-OH 3.22Å; K412-Y480 WeakPolarHBondContact CE-OH 3.44Å; K412-Y480 PolarHBondContact NZ-OH 2.86Å; S478-Y480 VanDerWaalsContact C-N 3.28Å; S478-Y480 PolarHBondContact OG-N 2.84Å; S478-Y480 VanDerWaalsContact OG-N 3.17Å; S478-Y480 PolarHBondContact OG-O 2.9Å; Y480-Q482 VanDerWaalsContact C-N 3.28Å; Y480-Q482 PolarHBondContact O-N 2.83Å; Y480-T483 WeakPolarHBondContact O-CB 3.4Å; Y480-T483 PolarHBondContact O-N 3.13Å; Y480-T483 VanDerWaalsContact O-N 3.14Å; Y480-L484 PolarHBondContact O-N 3.43Å
481	T	90.8	Very high	94	Very high	74 Å²	74	24.6 Å²	24.6	45%	0.454	14%	0.139	S	C	.	.	H	α-helix	trans	-62.7	-35.7	175.9	50.1	0	0	0	0	112.3	T483 L484 D485	T481-T483 PolarHBondContact O-N 3.41Å; T481-L484 WeakPolarHBondContact O-CA 3.35Å; T481-L484 WeakPolarHBondContact O-CB 3.27Å; T481-L484 PolarHBondContact O-N 2.88Å; T481-D485 PolarHBondContact O-N 2.59Å
482	Q	92.6	Very high	94.2	Very high	76 Å²	76	28.5 Å²	28.5	36%	0.355	13%	0.133	S	C	.	.	H	α-helix	trans	-61.1	-33.7	175.9	-57.4	-176.5	-61.6	0	0	112	L420 Y480 D485 L486	L420-Q482 HydrophobicContact CD2-CB 3.68Å; Y480-Q482 VanDerWaalsContact C-N 3.28Å; Y480-Q482 PolarHBondContact O-N 2.83Å; Q482-D485 WeakPolarHBondContact CA-OD2 3.18Å; Q482-D485 WeakPolarHBondContact O-CB 3.31Å; Q482-D485 PolarHBondContact O-N 3.1Å; Q482-L486 PolarHBondContact O-N 3.34Å
483	T	94.8	Very high	94.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-72.5	-35.7	174.5	-57.9	0	0	0	0	111.5	N416 L420 S478 Y480 T481 D485 L486 F487 F549	N416-T483 PolarHBondContact ND2-OG1 3.25Å; L420-T483 WeakPolarHBondContact CD1-OG1 3.34Å; S478-T483 WeakPolarHBondContact OG-CB 3.14Å; Y480-T483 WeakPolarHBondContact O-CB 3.4Å; Y480-T483 PolarHBondContact O-N 3.13Å; Y480-T483 VanDerWaalsContact O-N 3.14Å; T481-T483 PolarHBondContact O-N 3.41Å; T483-D485 VanDerWaalsContact C-N 3.27Å; T483-D485 PolarHBondContact O-N 3.42Å; T483-L486 WeakPolarHBondContact O-CB 3.39Å; T483-L486 PolarHBondContact O-N 3.04Å; T483-L486 VanDerWaalsContact O-N 3.11Å; T483-F487 HydrophobicContact CG2-CE1 3.85Å; T483-F487 HydrophobicContact CG2-CE2 4.24Å; T483-F487 HydrophobicContact CG2-CZ 3.64Å; T483-F487 PolarHBondContact O-N 2.81Å; T483-F549 HydrophobicContact CG2-CD1 3.65Å; T483-F549 HydrophobicContact CG2-CE1 3.73Å
484	L	94.6	Very high	94	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-36.9	170.2	-58.4	178.9	0	0	0	111.8	Y480 T481 L486 F487 E488 M528	Y480-L484 PolarHBondContact O-N 3.43Å; T481-L484 WeakPolarHBondContact O-CA 3.35Å; T481-L484 WeakPolarHBondContact O-CB 3.27Å; T481-L484 PolarHBondContact O-N 2.88Å; L484-L486 VanDerWaalsContact C-N 3.26Å; L484-L486 PolarHBondContact O-N 3.35Å; L484-F487 HydrophobicContact CD2-CD2 3.73Å; L484-F487 HydrophobicContact CD2-CE2 3.92Å; L484-F487 WeakPolarHBondContact O-CB 3.41Å; L484-F487 PolarHBondContact O-N 3.18Å; L484-F487 VanDerWaalsContact O-N 3.1Å; L484-E488 PolarHBondContact O-N 3Å; L484-M528 HydrophobicContact CD2-CB 4.26Å
485	D	94.4	Very high	93.9	Very high	67 Å²	67	48.4 Å²	48.4	36%	0.358	21%	0.209	S	C	.	.	H	α-helix	trans	-60.9	-36.9	174.2	-56.2	-33	0	0	0	111.4	T481 Q482 T483 E488 K489 R500	T481-D485 PolarHBondContact O-N 2.59Å; Q482-D485 WeakPolarHBondContact CA-OD2 3.18Å; Q482-D485 WeakPolarHBondContact O-CB 3.31Å; Q482-D485 PolarHBondContact O-N 3.1Å; T483-D485 VanDerWaalsContact C-N 3.27Å; T483-D485 PolarHBondContact O-N 3.42Å; D485-E488 PolarHBondContact O-N 3.49Å; D485-K489 WeakPolarHBondContact O-CG 3.5Å; D485-K489 PolarHBondContact O-N 3.12Å; D485-K489 VanDerWaalsContact O-N 3.15Å; D485-R500 IonicContact OD1-CZ 3.92Å; D485-R500 VanDerWaalsContact OD1-CZ 3.24Å; D485-R500 IonicContact OD1-NH1 2.8Å; D485-R500 PolarHBondContact OD1-NH1 3.26Å; D485-R500 IonicContact OD1-NH2 3.74Å; D485-R500 PolarHBondContact OD1-NH2 3.45Å
486	L	95.2	Very high	93.9	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-67.3	-39.7	172.5	-58.7	-176.2	0	0	0	112	H417 A419 L420 L448 M456 Q482 T483 L484 E488 K489 L490	H417-L486 HydrophobicContact CB-CD1 3.51Å; A419-L486 HydrophobicContact CB-CD2 4.39Å; L420-L486 HydrophobicContact CD1-CD1 4.13Å; L420-L486 HydrophobicContact CD2-CD1 3.74Å; L420-L486 HydrophobicContact CD2-CG 4.1Å; L420-L486 HydrophobicContact CG-CD1 3.78Å; L448-L486 HydrophobicContact CD1-CB 4.39Å; L448-L486 HydrophobicContact CD1-CD2 4.12Å; L448-L486 WeakPolarHBondContact CD2-O 3.36Å; M456-L486 HydrophobicContact CE-CB 4.08Å; M456-L486 HydrophobicContact CE-CD1 4.37Å; Q482-L486 PolarHBondContact O-N 3.34Å; T483-L486 WeakPolarHBondContact O-CB 3.39Å; T483-L486 PolarHBondContact O-N 3.04Å; T483-L486 VanDerWaalsContact O-N 3.11Å; L484-L486 VanDerWaalsContact C-N 3.26Å; L484-L486 PolarHBondContact O-N 3.35Å; L486-E488 VanDerWaalsContact C-N 3.28Å; L486-E488 PolarHBondContact O-N 3.14Å; L486-K489 HydrophobicContact CD2-CD 4.48Å; L486-K489 WeakPolarHBondContact O-CB 3.35Å; L486-K489 PolarHBondContact O-N 3.07Å; L486-K489 VanDerWaalsContact O-N 3.16Å; L486-L490 PolarHBondContact O-N 2.86Å
487	F	96.3	Very high	93.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-37.7	174.5	-61.1	-21	0	0	0	112	M456 L459 L476 T483 L484 L490 C491 M528 F549	M456-F487 HydrophobicContact CE-CD1 4.1Å; M456-F487 HydrophobicContact CE-CE1 3.97Å; M456-F487 HydrophobicContact SD-CD1 4.41Å; M456-F487 HydrophobicContact SD-CE1 4.45Å; L459-F487 HydrophobicContact CD2-CD1 3.73Å; L459-F487 HydrophobicContact CD2-CE1 3.42Å; L459-F487 VanDerWaalsContact CD2-CE1 3.42Å; L459-F487 HydrophobicContact CD2-CZ 4.16Å; L476-F487 HydrophobicContact CB-CD2 4.07Å; L476-F487 HydrophobicContact CB-CE2 4.13Å; L476-F487 HydrophobicContact CD1-CB 4.3Å; L476-F487 HydrophobicContact CD1-CD2 4.05Å; L476-F487 HydrophobicContact CD1-CG 4.11Å; T483-F487 HydrophobicContact CG2-CE1 3.85Å; T483-F487 HydrophobicContact CG2-CE2 4.24Å; T483-F487 HydrophobicContact CG2-CZ 3.64Å; T483-F487 PolarHBondContact O-N 2.81Å; L484-F487 HydrophobicContact CD2-CD2 3.73Å; L484-F487 HydrophobicContact CD2-CE2 3.92Å; L484-F487 WeakPolarHBondContact O-CB 3.41Å; L484-F487 PolarHBondContact O-N 3.18Å; L484-F487 VanDerWaalsContact O-N 3.1Å; F487-L490 WeakPolarHBondContact O-CB 3.28Å; F487-L490 PolarHBondContact O-N 2.8Å; F487-C491 WeakPolarHBondContact O-CB 3.37Å; F487-C491 PolarHBondContact O-N 3.01Å; F487-C491 PolarHBondContact O-SG 2.63Å; F487-M528 HydrophobicContact CB-CE 3.94Å; F487-M528 HydrophobicContact CB-SD 4.13Å; F487-F549 HydrophobicContact CE1-CD1 4.2Å; F487-F549 AromaticContact CE1-CD2 3.82Å; F487-F549 HydrophobicContact CE1-CD2 3.82Å; F487-F549 HydrophobicContact CE1-CE1 4.29Å; F487-F549 AromaticContact CE1-CE2 3.96Å; F487-F549 HydrophobicContact CE1-CE2 3.96Å; F487-F549 AromaticContact CE1-CG 3.96Å; F487-F549 HydrophobicContact CE1-CG 3.96Å; F487-F549 HydrophobicContact CE1-CZ 4.19Å; F487-F549 HydrophobicContact CE2-CB 4.43Å; F487-F549 HydrophobicContact CZ-CB 3.67Å; F487-F549 AromaticContact CZ-CD1 3.83Å; F487-F549 HydrophobicContact CZ-CD1 3.83Å; F487-F549 AromaticContact CZ-CD2 3.71Å; F487-F549 HydrophobicContact CZ-CD2 3.71Å; F487-F549 HydrophobicContact CZ-CE1 4.37Å; F487-F549 HydrophobicContact CZ-CE2 4.3Å; F487-F549 AromaticContact CZ-CG 3.46Å; F487-F549 HydrophobicContact CZ-CG 3.46Å; F487-F549 VanDerWaalsContact CZ-CG 3.46Å
488	E	95.5	Very high	94	Very high	29 Å²	29	56.5 Å²	56.5	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-44.2	173.3	-67.3	-161	-160.4	0	0	112	L484 D485 L486 L490 C491 R492 Y498 R500 M528	L484-E488 PolarHBondContact O-N 3Å; D485-E488 PolarHBondContact O-N 3.49Å; L486-E488 VanDerWaalsContact C-N 3.28Å; L486-E488 PolarHBondContact O-N 3.14Å; E488-L490 VanDerWaalsContact C-N 3.32Å; E488-L490 PolarHBondContact O-N 2.72Å; E488-C491 PolarHBondContact O-N 2.98Å; E488-R492 WeakPolarHBondContact O-CB 3.48Å; E488-R492 WeakPolarHBondContact O-CG 3.44Å; E488-R492 PolarHBondContact O-N 3.14Å; E488-R492 IonicContact OE2-CZ 2.85Å; E488-R492 IonicContact OE2-NH1 3.18Å; E488-R492 PolarHBondContact OE2-NH1 3.49Å; E488-R492 IonicContact OE2-NH2 3.89Å; E488-R492 PolarHBondContact OE2-NH2 2.97Å; E488-Y498 HydrophobicContact CB-CE2 4.2Å; E488-Y498 HydrophobicContact CG-CD2 4.46Å; E488-Y498 HydrophobicContact CG-CE2 3.54Å; E488-Y498 PolarHBondContact OE2-OH 3.47Å; E488-R500 WeakPolarHBondContact OE1-CD 3.36Å; E488-R500 IonicContact OE1-CZ 3.7Å; E488-R500 IonicContact OE1-NE 3.98Å; E488-R500 IonicContact OE1-NH1 2.7Å; E488-R500 PolarHBondContact OE1-NH1 3.16Å; E488-M528 HydrophobicContact CG-CE 4.36Å; E488-M528 HydrophobicContact CG-SD 3.7Å
489	K	94.8	Very high	94	Very high	73 Å²	73	57.3 Å²	57.3	32%	0.317	25%	0.251	S	S	.	.	H	α-helix	trans	-60.3	-43.3	175.3	-69.2	179.8	-177.6	180	0	110.9	T445 L448 D485 L486 R492 F493	T445-K489 PolarHBondContact O-NZ 2.88Å; L448-K489 HydrophobicContact CB-CB 3.98Å; L448-K489 HydrophobicContact CD2-CB 4.34Å; D485-K489 WeakPolarHBondContact O-CG 3.5Å; D485-K489 PolarHBondContact O-N 3.12Å; D485-K489 VanDerWaalsContact O-N 3.15Å; L486-K489 HydrophobicContact CD2-CD 4.48Å; L486-K489 WeakPolarHBondContact O-CB 3.35Å; L486-K489 PolarHBondContact O-N 3.07Å; L486-K489 VanDerWaalsContact O-N 3.16Å; K489-R492 PolarHBondContact O-N 3.07Å; K489-F493 VanDerWaalsContact O-CB 3.27Å; K489-F493 WeakPolarHBondContact O-CB 3.08Å; K489-F493 PolarHBondContact O-N 3.26Å
490	L	94.6	Very high	94.2	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-47.7	175.6	-175.5	63.3	0	0	0	111.7	L448 P450 M456 L459 D460 L463 L486 F487 E488 R492 F493 R494	L448-L490 HydrophobicContact CD2-CB 3.53Å; L448-L490 HydrophobicContact CD2-CD1 4.03Å; L448-L490 HydrophobicContact CD2-CG 4.35Å; P450-L490 HydrophobicContact CG-CD1 3.72Å; M456-L490 HydrophobicContact SD-CD2 3.93Å; L459-L490 HydrophobicContact CD2-CD2 4.2Å; L459-L490 HydrophobicContact CG-CD2 4.42Å; D460-L490 HydrophobicContact CB-CD1 4.45Å; L463-L490 HydrophobicContact CD1-CD2 4.15Å; L486-L490 PolarHBondContact O-N 2.86Å; F487-L490 WeakPolarHBondContact O-CB 3.28Å; F487-L490 PolarHBondContact O-N 2.8Å; E488-L490 VanDerWaalsContact C-N 3.32Å; E488-L490 PolarHBondContact O-N 2.72Å; L490-R492 PolarHBondContact O-N 3.11Å; L490-F493 PolarHBondContact O-N 2.82Å; L490-R494 HydrophobicContact CD1-CG 4.19Å; L490-R494 PolarHBondContact O-N 2.74Å
491	C	95.7	Very high	94.1	Very high	0 Å²	0	56 Å²	56	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-42	180	-66.5	0	0	0	0	111.5	F487 E488 R494 R495 Y496 Y498 I526	F487-C491 WeakPolarHBondContact O-CB 3.37Å; F487-C491 PolarHBondContact O-N 3.01Å; F487-C491 PolarHBondContact O-SG 2.63Å; E488-C491 PolarHBondContact O-N 2.98Å; C491-R494 CarbonylContact O-C 3.53Å; C491-R494 PolarHBondContact O-N 2.96Å; C491-R495 CarbonylContact O-C 3.56Å; C491-R495 WeakPolarHBondContact O-CA 3.35Å; C491-R495 PolarHBondContact O-N 3.32Å; C491-Y496 PolarHBondContact O-N 2.94Å; C491-Y498 HydrophobicContact CB-CD1 3.39Å; C491-Y498 HydrophobicContact CB-CE1 3.85Å; C491-Y498 HydrophobicContact CB-CG 4.03Å; C491-I526 VanDerWaalsContact SG-CD1 3.51Å
492	R	94.4	Very high	93.6	Very high	151 Å²	151	53.4 Å²	53.4	57%	0.57	23%	0.228	S	C	*	.	H	α-helix	trans	-62.9	-44.7	174.5	-71.6	179.1	-174.1	114.5	3.6	111.4	E488 K489 L490 R494 R495 Y498	E488-R492 WeakPolarHBondContact O-CB 3.48Å; E488-R492 WeakPolarHBondContact O-CG 3.44Å; E488-R492 PolarHBondContact O-N 3.14Å; E488-R492 IonicContact OE2-CZ 2.85Å; E488-R492 IonicContact OE2-NH1 3.18Å; E488-R492 PolarHBondContact OE2-NH1 3.49Å; E488-R492 IonicContact OE2-NH2 3.89Å; E488-R492 PolarHBondContact OE2-NH2 2.97Å; K489-R492 PolarHBondContact O-N 3.07Å; L490-R492 PolarHBondContact O-N 3.11Å; R492-R494 PolarHBondContact O-N 3.32Å; R492-R495 PolarHBondContact O-N 2.77Å; R492-Y498 HydrophobicContact CG-CE1 4.32Å; R492-Y498 PolarHBondContact NE-OH 3.28Å; R492-Y498 PolarHBondContact NH2-OH 3.45Å
493	F	91.8	Very high	92.7	Very high	120 Å²	120	53.1 Å²	53.1	53%	0.526	25%	0.246	S	C	.	.	H	α-helix	trans	-60.9	-43.4	178.4	179.6	-108	0	0	0	112.3	K489 L490	K489-F493 VanDerWaalsContact O-CB 3.27Å; K489-F493 WeakPolarHBondContact O-CB 3.08Å; K489-F493 PolarHBondContact O-N 3.26Å; L490-F493 PolarHBondContact O-N 2.82Å
494	R	93.7	Very high	91.7	Very high	112 Å²	112	59 Å²	59	42%	0.423	28%	0.282	S	S	.	.	H	α-helix	trans	-88.4	1.2	178.4	-62.7	-61.5	-168.9	-168.7	-2.2	114.6	D460 L490 C491 R492 Y496	D460-R494 IonicContact OD1-CZ 3.55Å; D460-R494 IonicContact OD1-NE 2.91Å; D460-R494 PolarHBondContact OD1-NE 3.43Å; D460-R494 IonicContact OD1-NH2 2.71Å; D460-R494 IonicContact OD2-CZ 3.36Å; D460-R494 IonicContact OD2-NE 2.76Å; D460-R494 PolarHBondContact OD2-NE 3.44Å; D460-R494 IonicContact OD2-NH2 2.87Å; D460-R494 PolarHBondContact OD2-NH2 3Å; L490-R494 HydrophobicContact CD1-CG 4.19Å; L490-R494 PolarHBondContact O-N 2.74Å; C491-R494 CarbonylContact O-C 3.53Å; C491-R494 PolarHBondContact O-N 2.96Å; R492-R494 PolarHBondContact O-N 3.32Å; R494-Y496 VanDerWaalsContact C-N 3.3Å; R494-Y496 HydrophobicContact CB-CD1 4.39Å; R494-Y496 HydrophobicContact CB-CD2 3.74Å; R494-Y496 HydrophobicContact CB-CE1 4.13Å; R494-Y496 HydrophobicContact CB-CE2 3.44Å; R494-Y496 VanDerWaalsContact CB-CE2 3.44Å; R494-Y496 HydrophobicContact CB-CG 4.2Å; R494-Y496 HydrophobicContact CG-CE2 3.99Å; R494-Y496 PolarHBondContact O-N 3.47Å
495	R	95.1	Very high	90.8	Very high	226 Å²	226	60.6 Å²	60.6	85%	0.853	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	36.2	-177.7	-52.9	179.9	-178.7	176.8	-0.2	114.1	C491 R492	C491-R495 CarbonylContact O-C 3.56Å; C491-R495 WeakPolarHBondContact O-CA 3.35Å; C491-R495 PolarHBondContact O-N 3.32Å; R492-R495 PolarHBondContact O-N 2.77Å
496	Y	96.2	Very high	89.8	Confident	30 Å²	30	61 Å²	61	12%	0.118	30%	0.297	C	S	.	.			trans	-83.2	134	171.8	-59.9	-33.3	0	0	0	110.9	L463 R467 C491 R494 F525 I526	L463-Y496 HydrophobicContact CB-CE2 4.02Å; L463-Y496 HydrophobicContact CD1-CE2 4.43Å; R467-Y496 HydrophobicContact CB-CE1 4.35Å; R467-Y496 HydrophobicContact CG-CE1 4.04Å; C491-Y496 PolarHBondContact O-N 2.94Å; R494-Y496 VanDerWaalsContact C-N 3.3Å; R494-Y496 HydrophobicContact CB-CD1 4.39Å; R494-Y496 HydrophobicContact CB-CD2 3.74Å; R494-Y496 HydrophobicContact CB-CE1 4.13Å; R494-Y496 HydrophobicContact CB-CE2 3.44Å; R494-Y496 VanDerWaalsContact CB-CE2 3.44Å; R494-Y496 HydrophobicContact CB-CG 4.2Å; R494-Y496 HydrophobicContact CG-CE2 3.99Å; R494-Y496 PolarHBondContact O-N 3.47Å; Y496-F525 AromaticContact CD1-CD1 3.94Å; Y496-F525 HydrophobicContact CD1-CD1 3.94Å; Y496-F525 HydrophobicContact CD1-CE1 4.19Å; Y496-F525 HydrophobicContact CD2-CD1 4.32Å; Y496-F525 HydrophobicContact CD2-CE1 4.26Å; Y496-F525 HydrophobicContact CE1-CE1 4.33Å; Y496-F525 HydrophobicContact CE2-CE1 4.38Å; Y496-F525 AromaticContact CG-CD1 3.85Å; Y496-F525 HydrophobicContact CG-CD1 3.85Å; Y496-F525 HydrophobicContact CG-CE1 4.17Å; Y496-I526 HydrophobicContact CD2-CD1 3.74Å; Y496-I526 HydrophobicContact CG-CD1 4.13Å
497	L	96.2	Very high	88.6	Confident	93 Å²	93	63.1 Å²	63.1	49%	0.487	31%	0.308	S	S	.	.			trans	-75.9	131.1	168.5	-63.2	178.8	0	0	0	109.2	P523 F525 I526	L497-P523 HydrophobicContact CD1-CB 3.85Å; L497-P523 HydrophobicContact CD1-CG 4Å; L497-F525 PolarHBondContact O-N 3.31Å; L497-I526 PolarHBondContact O-N 3.46Å; L497-I526 VanDerWaalsContact O-N 3.15Å
498	Y	95.9	Very high	87.5	Confident	50 Å²	50	71.6 Å²	71.6	20%	0.196	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154.6	-175.8	72.4	-86.8	0	0	0	112.4	E488 C491 R492 E524 I526 M528	E488-Y498 HydrophobicContact CB-CE2 4.2Å; E488-Y498 HydrophobicContact CG-CD2 4.46Å; E488-Y498 HydrophobicContact CG-CE2 3.54Å; E488-Y498 PolarHBondContact OE2-OH 3.47Å; C491-Y498 HydrophobicContact CB-CD1 3.39Å; C491-Y498 HydrophobicContact CB-CE1 3.85Å; C491-Y498 HydrophobicContact CB-CG 4.03Å; R492-Y498 HydrophobicContact CG-CE1 4.32Å; R492-Y498 PolarHBondContact NE-OH 3.28Å; R492-Y498 PolarHBondContact NH2-OH 3.45Å; Y498-E524 WeakPolarHBondContact CA-OE2 3.49Å; Y498-E524 PolarHBondContact N-OE2 3.37Å; Y498-E524 VanDerWaalsContact N-OE2 3.09Å; Y498-I526 CarbonylContact C-O 3.46Å; Y498-I526 WeakPolarHBondContact CA-O 3.14Å; Y498-M528 HydrophobicContact CD2-CE 3.38Å; Y498-M528 HydrophobicContact CD2-SD 3.96Å; Y498-M528 HydrophobicContact CE2-CE 4.04Å; Y498-M528 HydrophobicContact CE2-SD 4.25Å; Y498-M528 HydrophobicContact CG-CE 3.73Å
499	V	94.3	Very high	86.9	Confident	17 Å²	17	76.3 Å²	76.3	10%	0.103	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.2	166.4	-63.8	0	0	0	0	109.8	F517 E524 I526 F527 M528	V499-F517 HydrophobicContact CG2-CD2 4.21Å; V499-E524 VanDerWaalsContact CG1-CD 3.47Å; V499-E524 HydrophobicContact CG1-CG 3.88Å; V499-I526 PolarHBondContact N-O 3.06Å; V499-F527 HydrophobicContact CG2-CB 4.03Å; V499-F527 HydrophobicContact CG2-CD2 3.13Å; V499-F527 HydrophobicContact CG2-CE2 3.66Å; V499-F527 HydrophobicContact CG2-CG 3.73Å; V499-F527 WeakPolarHBondContact O-CA 3.17Å; V499-M528 WeakPolarHBondContact O-CG 3.35Å; V499-M528 PolarHBondContact O-N 3.42Å
500	R	92.3	Very high	86.1	Confident	46 Å²	46	74 Å²	74	17%	0.174	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.7	174.7	173.3	175.1	172.1	154.8	1.4	110.5	D485 E488 D502 M528	D485-R500 IonicContact OD1-CZ 3.92Å; D485-R500 VanDerWaalsContact OD1-CZ 3.24Å; D485-R500 IonicContact OD1-NH1 2.8Å; D485-R500 PolarHBondContact OD1-NH1 3.26Å; D485-R500 IonicContact OD1-NH2 3.74Å; D485-R500 PolarHBondContact OD1-NH2 3.45Å; E488-R500 WeakPolarHBondContact OE1-CD 3.36Å; E488-R500 IonicContact OE1-CZ 3.7Å; E488-R500 IonicContact OE1-NE 3.98Å; E488-R500 IonicContact OE1-NH1 2.7Å; E488-R500 PolarHBondContact OE1-NH1 3.16Å; R500-D502 IonicContact CZ-OD2 2.99Å; R500-D502 IonicContact NE-OD2 3.35Å; R500-D502 PolarHBondContact NE-OD2 3.09Å; R500-D502 IonicContact NH2-OD2 2.63Å; R500-M528 CarbonylContact C-O 3.57Å; R500-M528 WeakPolarHBondContact CA-O 3.44Å; R500-M528 HydrophobicContact CB-CG 3.71Å; R500-M528 HydrophobicContact CB-SD 4.08Å; R500-M528 HydrophobicContact CG-CG 4.06Å; R500-M528 HydrophobicContact CG-SD 4.43Å
501	L	87.9	Confident	85.3	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	110.7	171.1	-173.5	166.3	0	0	0	109.6	M505 R510 I513 V514 F527 M528 L529 S530 A533 L538	L501-M505 HydrophobicContact CB-SD 4.39Å; L501-M505 HydrophobicContact CG-SD 4.45Å; L501-R510 HydrophobicContact CD1-CG 3.6Å; L501-R510 VanDerWaalsContact CD2-NH2 3.31Å; L501-R510 HydrophobicContact CG-CG 4.17Å; L501-I513 HydrophobicContact CB-CD1 3.87Å; L501-I513 HydrophobicContact CD1-CD1 3.98Å; L501-I513 HydrophobicContact CG-CD1 4.1Å; L501-V514 HydrophobicContact CD1-CG2 4.29Å; L501-F527 HydrophobicContact CB-CE1 3.74Å; L501-F527 HydrophobicContact CB-CZ 3.81Å; L501-F527 HydrophobicContact CD1-CE1 3.96Å; L501-F527 HydrophobicContact CD1-CZ 3.59Å; L501-F527 HydrophobicContact CG-CE1 4.49Å; L501-F527 HydrophobicContact CG-CZ 4.37Å; L501-M528 PolarHBondContact N-O 2.9Å; L501-L529 HydrophobicContact CB-CB 4.23Å; L501-L529 HydrophobicContact CD2-CB 4.46Å; L501-L529 VanDerWaalsContact O-CA 3.29Å; L501-L529 WeakPolarHBondContact O-CA 3.48Å; L501-S530 PolarHBondContact O-N 3Å; L501-A533 HydrophobicContact CD2-CB 3.61Å; L501-L538 HydrophobicContact CD1-CD1 3.59Å; L501-L538 HydrophobicContact CD2-CD1 4.42Å
502	D	79.3	Confident	84.8	Confident	20 Å²	20	84 Å²	84	11%	0.107	41%	0.408	C	S	.	.			trans	-124	-176.5	171.9	63.5	33.1	0	0	0	111.7	R500 T504	R500-D502 IonicContact CZ-OD2 2.99Å; R500-D502 IonicContact NE-OD2 3.35Å; R500-D502 PolarHBondContact NE-OD2 3.09Å; R500-D502 IonicContact NH2-OD2 2.63Å; D502-T504 PolarHBondContact O-N 3.46Å; D502-T504 WeakPolarHBondContact OD1-CB 3.46Å; D502-T504 PolarHBondContact OD1-N 3.05Å; D502-T504 PolarHBondContact OD1-OG1 3.34Å
503	G	72.9	Confident	84.6	Confident	71 Å²	71	78.1 Å²	78.1	73%	0.732	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-11.4	-177.8	0	0	0	0	0	114.7
504	T	74.9	Confident	84.4	Confident	125 Å²	125	73.1 Å²	73.1	77%	0.767	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-15.9	-178.7	71.1	0	0	0	0	112.5	D502	D502-T504 PolarHBondContact O-N 3.46Å; D502-T504 WeakPolarHBondContact OD1-CB 3.46Å; D502-T504 PolarHBondContact OD1-N 3.05Å; D502-T504 PolarHBondContact OD1-OG1 3.34Å
505	M	74.6	Confident	84	Confident	33 Å²	33	74.8 Å²	74.8	16%	0.163	38%	0.38	C	S	.	.	S	Bend	trans	-72.5	132.7	-177.9	-69.3	-168.9	72.8	0	0	112.8	L501 K509 I513	L501-M505 HydrophobicContact CB-SD 4.39Å; L501-M505 HydrophobicContact CG-SD 4.45Å; M505-K509 HydrophobicContact CE-CB 4.01Å; M505-K509 HydrophobicContact CE-CD 3.62Å; M505-K509 HydrophobicContact CE-CG 3.49Å; M505-K509 VanDerWaalsContact CE-CG 3.49Å; M505-I513 HydrophobicContact CE-CD1 3.65Å; M505-I513 HydrophobicContact CE-CG1 4.17Å; M505-I513 HydrophobicContact CE-CG2 4.13Å; M505-I513 HydrophobicContact SD-CD1 3.8Å
506	S	73.3	Confident	83.8	Confident	74 Å²	74	69 Å²	69	52%	0.517	36%	0.361	S	S	.	.			trans	-63.2	148.5	170.6	76.3	0	0	0	0	111.7	K508 K509 R510	S506-K508 VanDerWaalsContact C-N 3.29Å; S506-K508 PolarHBondContact O-N 3.35Å; S506-K509 PolarHBondContact O-N 2.89Å; S506-K509 VanDerWaalsContact O-N 3.08Å; S506-R510 PolarHBondContact O-N 3.41Å
507	I	70.1	Confident	83.7	Confident	54 Å²	54	67.6 Å²	67.6	28%	0.277	36%	0.355	S	S	.	.	H	α-helix	trans	-66.1	-32.6	-172.3	-61.1	159.3	0	0	0	112.2	R182 D202 R510 A511	R182-I507 HydrophobicContact CB-CG2 4.21Å; R182-I507 HydrophobicContact CG-CG2 4.34Å; D202-I507 WeakPolarHBondContact OD2-CD1 3.37Å; I507-R510 WeakPolarHBondContact O-CB 3.4Å; I507-R510 PolarHBondContact O-N 2.99Å; I507-A511 PolarHBondContact O-N 3.45Å; I507-A511 VanDerWaalsContact O-N 3.09Å
508	K	74.6	Confident	83.4	Confident	178 Å²	178	65.1 Å²	65.1	77%	0.774	34%	0.342	S	S	*	.	H	α-helix	trans	-61.5	-45.1	173	-67.9	-176.1	179.7	179.3	0	111.6	S506 R510 K512	S506-K508 VanDerWaalsContact C-N 3.29Å; S506-K508 PolarHBondContact O-N 3.35Å; K508-R510 VanDerWaalsContact C-N 3.33Å; K508-K512 PolarHBondContact O-N 2.95Å
509	K	81.9	Confident	83.2	Confident	129 Å²	129	64.6 Å²	64.6	56%	0.561	35%	0.346	S	S	*	.	H	α-helix	trans	-65.9	-39.5	178.2	-164.8	178.2	176.9	-178.9	0	110.7	M505 S506 K512 I513	M505-K509 HydrophobicContact CE-CB 4.01Å; M505-K509 HydrophobicContact CE-CD 3.62Å; M505-K509 HydrophobicContact CE-CG 3.49Å; M505-K509 VanDerWaalsContact CE-CG 3.49Å; S506-K509 PolarHBondContact O-N 2.89Å; S506-K509 VanDerWaalsContact O-N 3.08Å; K509-K512 PolarHBondContact O-N 3.33Å; K509-I513 PolarHBondContact O-N 3.08Å
510	R	78.9	Confident	82.8	Confident	24 Å²	24	69 Å²	69	9%	0.091	38%	0.375	C	S	.	.	H	α-helix	trans	-57	-49.6	176.6	-168.8	-175.2	-113.8	-162.4	-4.5	112.9	L501 S506 I507 K508 K512 I513 V514 A533 C536 L538	L501-R510 HydrophobicContact CD1-CG 3.6Å; L501-R510 VanDerWaalsContact CD2-NH2 3.31Å; L501-R510 HydrophobicContact CG-CG 4.17Å; S506-R510 PolarHBondContact O-N 3.41Å; I507-R510 WeakPolarHBondContact O-CB 3.4Å; I507-R510 PolarHBondContact O-N 2.99Å; K508-R510 VanDerWaalsContact C-N 3.33Å; R510-K512 VanDerWaalsContact C-N 3.35Å; R510-K512 PolarHBondContact O-N 2.89Å; R510-I513 WeakPolarHBondContact O-CG1 3.19Å; R510-I513 PolarHBondContact O-N 3.38Å; R510-V514 VanDerWaalsContact O-CG2 3.31Å; R510-V514 WeakPolarHBondContact O-CG2 3.26Å; R510-V514 PolarHBondContact O-N 2.91Å; R510-A533 PolarHBondContact NH2-O 3.49Å; R510-C536 PolarHBondContact NH1-SG 3.18Å; R510-L538 HydrophobicContact CG-CD2 4.47Å
511	A	77.1	Confident	82.5	Confident	56 Å²	56	74.3 Å²	74.3	46%	0.463	40%	0.402	S	S	.	.	H	α-helix	trans	-61	-45	178.9	0	0	0	0	0	111.6	I507 I513 V514 E515	I507-A511 PolarHBondContact O-N 3.45Å; I507-A511 VanDerWaalsContact O-N 3.09Å; A511-I513 PolarHBondContact O-N 3.45Å; A511-V514 PolarHBondContact O-N 3Å; A511-E515 PolarHBondContact O-N 3.11Å
512	K	85.9	Confident	82.5	Confident	156 Å²	156	75 Å²	75	68%	0.678	41%	0.405	S	S	*	.	H	α-helix	trans	-61.4	-42.6	180	-171.8	176	-177.7	176.3	0	113	K508 K509 R510 V514 K516	K508-K512 PolarHBondContact O-N 2.95Å; K509-K512 PolarHBondContact O-N 3.33Å; R510-K512 VanDerWaalsContact C-N 3.35Å; R510-K512 PolarHBondContact O-N 2.89Å; K512-V514 VanDerWaalsContact C-N 3.35Å; K512-K516 VanDerWaalsContact O-CB 3.31Å; K512-K516 WeakPolarHBondContact O-CB 3.49Å; K512-K516 PolarHBondContact O-N 3.32Å
513	I	88.9	Confident	83.1	Confident	26 Å²	26	78.1 Å²	78.1	13%	0.133	43%	0.427	C	S	.	.	H	α-helix	trans	-67.8	-35.7	179.2	59.5	158.9	0	0	0	112.2	L501 M505 K509 R510 A511 F517 F527	L501-I513 HydrophobicContact CB-CD1 3.87Å; L501-I513 HydrophobicContact CD1-CD1 3.98Å; L501-I513 HydrophobicContact CG-CD1 4.1Å; M505-I513 HydrophobicContact CE-CD1 3.65Å; M505-I513 HydrophobicContact CE-CG1 4.17Å; M505-I513 HydrophobicContact CE-CG2 4.13Å; M505-I513 HydrophobicContact SD-CD1 3.8Å; K509-I513 PolarHBondContact O-N 3.08Å; R510-I513 WeakPolarHBondContact O-CG1 3.19Å; R510-I513 PolarHBondContact O-N 3.38Å; A511-I513 PolarHBondContact O-N 3.45Å; I513-F517 VanDerWaalsContact O-CB 3.3Å; I513-F517 WeakPolarHBondContact O-CB 3.44Å; I513-F517 PolarHBondContact O-N 2.81Å; I513-F527 HydrophobicContact CD1-CE2 4.23Å; I513-F527 HydrophobicContact CD1-CZ 4.07Å
514	V	87.5	Confident	84.1	Confident	16 Å²	16	75.9 Å²	75.9	10%	0.097	40%	0.398	C	S	.	.	H	α-helix	trans	-69	-46.2	179.3	170.2	0	0	0	0	110.3	L501 R510 A511 K512 F517 N518 F527 L538 N539 L540	L501-V514 HydrophobicContact CD1-CG2 4.29Å; R510-V514 VanDerWaalsContact O-CG2 3.31Å; R510-V514 WeakPolarHBondContact O-CG2 3.26Å; R510-V514 PolarHBondContact O-N 2.91Å; A511-V514 PolarHBondContact O-N 3Å; K512-V514 VanDerWaalsContact C-N 3.35Å; V514-F517 PolarHBondContact O-N 3.28Å; V514-N518 WeakPolarHBondContact O-CB 3.4Å; V514-N518 PolarHBondContact O-N 3.5Å; V514-N518 PolarHBondContact O-ND2 2.79Å; V514-F527 HydrophobicContact CG2-CE2 4.23Å; V514-F527 HydrophobicContact CG2-CZ 4.04Å; V514-L538 HydrophobicContact CG2-CD2 4.13Å; V514-N539 WeakPolarHBondContact CG1-O 3.39Å; V514-L540 HydrophobicContact CG1-CD2 4.2Å; V514-L540 HydrophobicContact CG2-CD2 4.28Å
515	E	86.8	Confident	85.1	Confident	147 Å²	147	70.3 Å²	70.3	69%	0.687	36%	0.363	S	S	*	.	H	α-helix	trans	-60.5	-47.2	175.4	-174.5	179.2	-169	0	0	111.5	A511 F517 N518 S519	A511-E515 PolarHBondContact O-N 3.11Å; E515-F517 VanDerWaalsContact C-N 3.32Å; E515-F517 PolarHBondContact O-N 3Å; E515-N518 PolarHBondContact O-N 2.97Å; E515-S519 PolarHBondContact O-N 2.86Å; E515-S519 VanDerWaalsContact O-N 3.16Å
516	K	90.6	Very high	86.2	Confident	105 Å²	105	68.7 Å²	68.7	46%	0.457	36%	0.355	S	S	.	.	H	α-helix	trans	-58	-45.9	175.7	-161.2	-155.8	171.5	-165.5	0	110.4	K512 N518 S519 N522 E524	K512-K516 VanDerWaalsContact O-CB 3.31Å; K512-K516 WeakPolarHBondContact O-CB 3.49Å; K512-K516 PolarHBondContact O-N 3.32Å; K516-N518 PolarHBondContact O-N 3.35Å; K516-S519 WeakPolarHBondContact O-CB 3.31Å; K516-S519 PolarHBondContact O-N 3.06Å; K516-N522 WeakPolarHBondContact CE-OD1 3.38Å; K516-N522 WeakPolarHBondContact CG-ND2 3.5Å; K516-N522 WeakPolarHBondContact O-CB 3.38Å; K516-N522 VanDerWaalsContact O-CG 3.32Å; K516-N522 PolarHBondContact O-ND2 3.32Å; K516-E524 IonicContact NZ-OE1 3.78Å; K516-E524 PolarHBondContact NZ-OE1 2.92Å; K516-E524 VanDerWaalsContact NZ-OE1 3.09Å
517	F	92.9	Very high	87.2	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.9	-39.7	-178.7	-176.8	-104.8	0	0	0	113	K473 V475 V499 I513 V514 E515 S519 E524 F527 L540 A543	K473-F517 HydrophobicContact CB-CE2 4.25Å; K473-F517 HydrophobicContact CB-CZ 3.8Å; K473-F517 HydrophobicContact CD-CD2 4.46Å; K473-F517 HydrophobicContact CD-CE2 3.94Å; K473-F517 HydrophobicContact CD-CZ 4.04Å; K473-F517 HydrophobicContact CG-CE2 4.47Å; K473-F517 HydrophobicContact CG-CZ 4.45Å; K473-F517 PolarHBondContact NZ-O 3.25Å; V475-F517 HydrophobicContact CG2-CE1 4.44Å; V499-F517 HydrophobicContact CG2-CD2 4.21Å; I513-F517 VanDerWaalsContact O-CB 3.3Å; I513-F517 WeakPolarHBondContact O-CB 3.44Å; I513-F517 PolarHBondContact O-N 2.81Å; V514-F517 PolarHBondContact O-N 3.28Å; E515-F517 VanDerWaalsContact C-N 3.32Å; E515-F517 PolarHBondContact O-N 3Å; F517-S519 VanDerWaalsContact C-N 3.26Å; F517-S519 PolarHBondContact O-N 3.01Å; F517-E524 HydrophobicContact CD2-CB 4.12Å; F517-F527 HydrophobicContact CB-CD2 3.78Å; F517-F527 HydrophobicContact CB-CE2 4.17Å; F517-F527 HydrophobicContact CD1-CB 4.09Å; F517-F527 AromaticContact CD1-CD2 3.71Å; F517-F527 HydrophobicContact CD1-CD2 3.71Å; F517-F527 HydrophobicContact CD1-CG 4.22Å; F517-F527 HydrophobicContact CD2-CB 3.98Å; F517-F527 AromaticContact CD2-CD2 3.89Å; F517-F527 HydrophobicContact CD2-CD2 3.89Å; F517-F527 HydrophobicContact CD2-CG 4.45Å; F517-F527 HydrophobicContact CE1-CB 3.72Å; F517-F527 HydrophobicContact CE1-CD2 4.22Å; F517-F527 HydrophobicContact CE1-CG 4.28Å; F517-F527 HydrophobicContact CE2-CB 3.62Å; F517-F527 HydrophobicContact CE2-CD2 4.4Å; F517-F527 HydrophobicContact CG-CB 4.2Å; F517-F527 AromaticContact CG-CD2 3.51Å; F517-F527 HydrophobicContact CG-CD2 3.51Å; F517-F527 HydrophobicContact CG-CE2 4.35Å; F517-F527 HydrophobicContact CG-CG 4.3Å; F517-F527 HydrophobicContact CZ-CB 3.47Å; F517-F527 VanDerWaalsContact CZ-CB 3.47Å; F517-F527 HydrophobicContact CZ-CG 4.44Å; F517-L540 HydrophobicContact CD1-CD2 4.36Å; F517-A543 HydrophobicContact CE1-CB 3.75Å; F517-A543 HydrophobicContact CZ-CB 3.97Å
518	N	91.1	Very high	88.4	Confident	40 Å²	40	62.6 Å²	62.6	21%	0.214	32%	0.317	C	S	.	.	H	α-helix	trans	-68.9	-21.1	178.1	-73.1	-24.6	0	0	0	113.7	V514 E515 K516 P520 N539 L540 I541 G542	V514-N518 WeakPolarHBondContact O-CB 3.4Å; V514-N518 PolarHBondContact O-N 3.5Å; V514-N518 PolarHBondContact O-ND2 2.79Å; E515-N518 PolarHBondContact O-N 2.97Å; K516-N518 PolarHBondContact O-N 3.35Å; N518-P520 WeakPolarHBondContact O-CD 3.49Å; N518-N539 PolarHBondContact ND2-O 2.82Å; N518-L540 WeakPolarHBondContact OD1-CA 3.48Å; N518-I541 PolarHBondContact OD1-N 3.31Å; N518-G542 PolarHBondContact OD1-N 3.03Å
519	S	90.4	Very high	89.2	Confident	39 Å²	39	54.2 Å²	54.2	27%	0.273	28%	0.28	S	S	.	.	S	Bend	trans	-64.1	127	172.7	167.3	0	0	0	0	110.8	K473 E515 K516 F517 Q521 N522	K473-S519 PolarHBondContact NZ-O 3Å; E515-S519 PolarHBondContact O-N 2.86Å; E515-S519 VanDerWaalsContact O-N 3.16Å; K516-S519 WeakPolarHBondContact O-CB 3.31Å; K516-S519 PolarHBondContact O-N 3.06Å; F517-S519 VanDerWaalsContact C-N 3.26Å; F517-S519 PolarHBondContact O-N 3.01Å; S519-Q521 PolarHBondContact O-N 3.12Å; S519-Q521 PolarHBondContact OG-N 2.87Å; S519-Q521 PolarHBondContact OG-OE1 3.35Å; S519-N522 WeakPolarHBondContact O-CB 3.34Å; S519-N522 PolarHBondContact O-N 3.06Å
520	P	87	Confident	89.6	Confident	111 Å²	111	48.7 Å²	48.7	72%	0.721	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.6	175.5	-24.8	34.6	0	0	0	113.6	N518 N522	N518-P520 WeakPolarHBondContact O-CD 3.49Å; P520-N522 VanDerWaalsContact C-N 3.25Å; P520-N522 PolarHBondContact O-N 3.12Å
521	Q	86.1	Confident	89.5	Confident	157 Å²	157	47.7 Å²	47.7	73%	0.734	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-13	-178.2	-62.8	75.7	25.5	0	0	113	S519	S519-Q521 PolarHBondContact O-N 3.12Å; S519-Q521 PolarHBondContact OG-N 2.87Å; S519-Q521 PolarHBondContact OG-OE1 3.35Å
522	N	88.3	Confident	89.3	Confident	13 Å²	13	52.7 Å²	52.7	7%	0.07	27%	0.266	C	S	.	.			trans	-79.8	127	-175.9	-175.7	13.5	0	0	0	111.6	K473 K516 S519 P520 E524	K473-N522 VanDerWaalsContact CE-O 3.27Å; K473-N522 WeakPolarHBondContact CE-O 3.45Å; K473-N522 PolarHBondContact NZ-O 2.56Å; K516-N522 WeakPolarHBondContact CE-OD1 3.38Å; K516-N522 WeakPolarHBondContact CG-ND2 3.5Å; K516-N522 WeakPolarHBondContact O-CB 3.38Å; K516-N522 VanDerWaalsContact O-CG 3.32Å; K516-N522 PolarHBondContact O-ND2 3.32Å; S519-N522 WeakPolarHBondContact O-CB 3.34Å; S519-N522 PolarHBondContact O-N 3.06Å; P520-N522 VanDerWaalsContact C-N 3.25Å; P520-N522 PolarHBondContact O-N 3.12Å; N522-E524 VanDerWaalsContact C-N 3.28Å; N522-E524 VanDerWaalsContact ND2-CG 3.31Å; N522-E524 WeakPolarHBondContact ND2-CG 3.44Å; N522-E524 PolarHBondContact O-N 3.46Å; N522-E524 VanDerWaalsContact OD1-CG 3.23Å; N522-E524 WeakPolarHBondContact OD1-CG 3.38Å; N522-E524 PolarHBondContact OD1-N 3.27Å
523	P	90.9	Very high	88.3	Confident	87 Å²	87	45.6 Å²	45.6	57%	0.565	24%	0.236	S	C	*	.			trans	-75.8	-5.7	-176.7	32.3	-41.2	0	0	0	115.3	L497 F525	L497-P523 HydrophobicContact CD1-CB 3.85Å; L497-P523 HydrophobicContact CD1-CG 4Å; P523-F525 PolarHBondContact O-N 2.86Å
524	E	93.8	Very high	86.8	Confident	24 Å²	24	44.3 Å²	44.3	11%	0.112	23%	0.23	C	C	.	.			trans	-57.9	121.1	177.1	-54.5	-77.8	-179.7	0	0	110.2	K473 Y498 V499 K516 F517 N522	K473-E524 VanDerWaalsContact CE-O 3.24Å; K473-E524 WeakPolarHBondContact CE-O 3.41Å; Y498-E524 WeakPolarHBondContact CA-OE2 3.49Å; Y498-E524 PolarHBondContact N-OE2 3.37Å; Y498-E524 VanDerWaalsContact N-OE2 3.09Å; V499-E524 VanDerWaalsContact CG1-CD 3.47Å; V499-E524 HydrophobicContact CG1-CG 3.88Å; K516-E524 IonicContact NZ-OE1 3.78Å; K516-E524 PolarHBondContact NZ-OE1 2.92Å; K516-E524 VanDerWaalsContact NZ-OE1 3.09Å; F517-E524 HydrophobicContact CD2-CB 4.12Å; N522-E524 VanDerWaalsContact C-N 3.28Å; N522-E524 VanDerWaalsContact ND2-CG 3.31Å; N522-E524 WeakPolarHBondContact ND2-CG 3.44Å; N522-E524 PolarHBondContact O-N 3.46Å; N522-E524 VanDerWaalsContact OD1-CG 3.23Å; N522-E524 WeakPolarHBondContact OD1-CG 3.38Å; N522-E524 PolarHBondContact OD1-N 3.27Å
525	F	96.3	Very high	85.4	Confident	7 Å²	7	44 Å²	44	3%	0.031	23%	0.23	C	C	.	.			trans	-88.3	-40.4	-177.8	171.8	-131.8	0	0	0	111.3	L463 T466 R467 D472 K473 V474 Y496 L497 P523	L463-F525 HydrophobicContact CD2-CE1 4.23Å; L463-F525 HydrophobicContact CD2-CZ 4.33Å; T466-F525 HydrophobicContact CG2-CE2 4Å; T466-F525 HydrophobicContact CG2-CZ 4.18Å; R467-F525 HydrophobicContact CB-CE1 4.1Å; R467-F525 HydrophobicContact CB-CE2 4.44Å; R467-F525 HydrophobicContact CB-CZ 3.89Å; D472-F525 WeakPolarHBondContact O-CD2 3.4Å; D472-F525 WeakPolarHBondContact O-CE2 3.18Å; K473-F525 WeakPolarHBondContact CA-O 3.48Å; V474-F525 HydrophobicContact CG2-CE2 3.82Å; V474-F525 HydrophobicContact CG2-CZ 3.9Å; V474-F525 PolarHBondContact N-O 3.1Å; Y496-F525 AromaticContact CD1-CD1 3.94Å; Y496-F525 HydrophobicContact CD1-CD1 3.94Å; Y496-F525 HydrophobicContact CD1-CE1 4.19Å; Y496-F525 HydrophobicContact CD2-CD1 4.32Å; Y496-F525 HydrophobicContact CD2-CE1 4.26Å; Y496-F525 HydrophobicContact CE1-CE1 4.33Å; Y496-F525 HydrophobicContact CE2-CE1 4.38Å; Y496-F525 AromaticContact CG-CD1 3.85Å; Y496-F525 HydrophobicContact CG-CD1 3.85Å; Y496-F525 HydrophobicContact CG-CE1 4.17Å; L497-F525 PolarHBondContact O-N 3.31Å; P523-F525 PolarHBondContact O-N 2.86Å
526	I	97	Very high	84	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.4	-172.4	-67.7	164.9	0	0	0	111	L463 V474 L476 C491 Y496 L497 Y498 V499 M528	L463-I526 HydrophobicContact CD1-CD1 4Å; L463-I526 HydrophobicContact CD2-CD1 3.99Å; L463-I526 HydrophobicContact CD2-CG1 4.25Å; V474-I526 CarbonylContact O-C 3.6Å; V474-I526 WeakPolarHBondContact O-CA 3.36Å; L476-I526 HydrophobicContact CD1-CG2 3.67Å; L476-I526 HydrophobicContact CG-CG2 3.83Å; C491-I526 VanDerWaalsContact SG-CD1 3.51Å; Y496-I526 HydrophobicContact CD2-CD1 3.74Å; Y496-I526 HydrophobicContact CG-CD1 4.13Å; L497-I526 PolarHBondContact O-N 3.46Å; L497-I526 VanDerWaalsContact O-N 3.15Å; Y498-I526 CarbonylContact C-O 3.46Å; Y498-I526 WeakPolarHBondContact CA-O 3.14Å; V499-I526 PolarHBondContact N-O 3.06Å; I526-M528 HydrophobicContact CG2-CE 4.1Å
527	F	95.8	Very high	82.6	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	110.5	166	-167.8	-70.9	0	0	0	108.8	V474 V475 L476 V499 L501 I513 V514 F517 L529 L540	V474-F527 PolarHBondContact O-N 2.9Å; V475-F527 CarbonylContact C-O 3.43Å; V475-F527 VanDerWaalsContact CA-O 3.23Å; V475-F527 WeakPolarHBondContact CA-O 3.27Å; V475-F527 HydrophobicContact CG2-CB 4.39Å; L476-F527 PolarHBondContact N-O 3.48Å; V499-F527 HydrophobicContact CG2-CB 4.03Å; V499-F527 HydrophobicContact CG2-CD2 3.13Å; V499-F527 HydrophobicContact CG2-CE2 3.66Å; V499-F527 HydrophobicContact CG2-CG 3.73Å; V499-F527 WeakPolarHBondContact O-CA 3.17Å; L501-F527 HydrophobicContact CB-CE1 3.74Å; L501-F527 HydrophobicContact CB-CZ 3.81Å; L501-F527 HydrophobicContact CD1-CE1 3.96Å; L501-F527 HydrophobicContact CD1-CZ 3.59Å; L501-F527 HydrophobicContact CG-CE1 4.49Å; L501-F527 HydrophobicContact CG-CZ 4.37Å; I513-F527 HydrophobicContact CD1-CE2 4.23Å; I513-F527 HydrophobicContact CD1-CZ 4.07Å; V514-F527 HydrophobicContact CG2-CE2 4.23Å; V514-F527 HydrophobicContact CG2-CZ 4.04Å; F517-F527 HydrophobicContact CB-CD2 3.78Å; F517-F527 HydrophobicContact CB-CE2 4.17Å; F517-F527 HydrophobicContact CD1-CB 4.09Å; F517-F527 AromaticContact CD1-CD2 3.71Å; F517-F527 HydrophobicContact CD1-CD2 3.71Å; F517-F527 HydrophobicContact CD1-CG 4.22Å; F517-F527 HydrophobicContact CD2-CB 3.98Å; F517-F527 AromaticContact CD2-CD2 3.89Å; F517-F527 HydrophobicContact CD2-CD2 3.89Å; F517-F527 HydrophobicContact CD2-CG 4.45Å; F517-F527 HydrophobicContact CE1-CB 3.72Å; F517-F527 HydrophobicContact CE1-CD2 4.22Å; F517-F527 HydrophobicContact CE1-CG 4.28Å; F517-F527 HydrophobicContact CE2-CB 3.62Å; F517-F527 HydrophobicContact CE2-CD2 4.4Å; F517-F527 HydrophobicContact CG-CB 4.2Å; F517-F527 AromaticContact CG-CD2 3.51Å; F517-F527 HydrophobicContact CG-CD2 3.51Å; F517-F527 HydrophobicContact CG-CE2 4.35Å; F517-F527 HydrophobicContact CG-CG 4.3Å; F517-F527 HydrophobicContact CZ-CB 3.47Å; F517-F527 VanDerWaalsContact CZ-CB 3.47Å; F517-F527 HydrophobicContact CZ-CG 4.44Å; F527-L529 HydrophobicContact CD1-CB 4.43Å; F527-L529 HydrophobicContact CD1-CD2 3.87Å; F527-L529 HydrophobicContact CE1-CB 4.12Å; F527-L529 HydrophobicContact CE1-CD2 4.16Å; F527-L540 HydrophobicContact CD1-CD1 4Å; F527-L540 HydrophobicContact CD1-CD2 4.28Å; F527-L540 HydrophobicContact CD2-CD2 4.12Å; F527-L540 HydrophobicContact CE1-CD1 4.06Å; F527-L540 HydrophobicContact CE1-CD2 4.05Å; F527-L540 HydrophobicContact CE2-CD2 3.91Å; F527-L540 HydrophobicContact CG-CD2 4.32Å; F527-L540 HydrophobicContact CZ-CD2 3.86Å
528	M	94.8	Very high	81.8	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136	178.4	65.5	-173.6	66	0	0	110.9	L476 L484 F487 E488 Y498 V499 R500 L501 I526	L476-M528 HydrophobicContact CB-CB 4.06Å; L476-M528 CarbonylContact O-C 3.55Å; L476-M528 VanDerWaalsContact O-CA 3.29Å; L476-M528 WeakPolarHBondContact O-CA 3.21Å; L484-M528 HydrophobicContact CD2-CB 4.26Å; F487-M528 HydrophobicContact CB-CE 3.94Å; F487-M528 HydrophobicContact CB-SD 4.13Å; E488-M528 HydrophobicContact CG-CE 4.36Å; E488-M528 HydrophobicContact CG-SD 3.7Å; Y498-M528 HydrophobicContact CD2-CE 3.38Å; Y498-M528 HydrophobicContact CD2-SD 3.96Å; Y498-M528 HydrophobicContact CE2-CE 4.04Å; Y498-M528 HydrophobicContact CE2-SD 4.25Å; Y498-M528 HydrophobicContact CG-CE 3.73Å; V499-M528 WeakPolarHBondContact O-CG 3.35Å; V499-M528 PolarHBondContact O-N 3.42Å; R500-M528 CarbonylContact C-O 3.57Å; R500-M528 WeakPolarHBondContact CA-O 3.44Å; R500-M528 HydrophobicContact CB-CG 3.71Å; R500-M528 HydrophobicContact CB-SD 4.08Å; R500-M528 HydrophobicContact CG-CG 4.06Å; R500-M528 HydrophobicContact CG-SD 4.43Å; L501-M528 PolarHBondContact N-O 2.9Å; I526-M528 HydrophobicContact CG2-CE 4.1Å
529	L	92.3	Very high	81.4	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.7	177.9	68	156.1	0	0	0	112.4	V475 L476 V477 S478 L501 F527 L540	V475-L529 HydrophobicContact CG1-CD2 3.19Å; L476-L529 PolarHBondContact O-N 3.22Å; V477-L529 WeakPolarHBondContact CA-O 3.29Å; V477-L529 HydrophobicContact CG2-CD2 3.86Å; V477-L529 HydrophobicContact CG2-CG 4.25Å; S478-L529 PolarHBondContact N-O 2.92Å; L501-L529 HydrophobicContact CB-CB 4.23Å; L501-L529 HydrophobicContact CD2-CB 4.46Å; L501-L529 VanDerWaalsContact O-CA 3.29Å; L501-L529 WeakPolarHBondContact O-CA 3.48Å; F527-L529 HydrophobicContact CD1-CB 4.43Å; F527-L529 HydrophobicContact CD1-CD2 3.87Å; F527-L529 HydrophobicContact CE1-CB 4.12Å; F527-L529 HydrophobicContact CE1-CD2 4.16Å; L529-L540 HydrophobicContact CD2-CD1 4.13Å
530	S	88.4	Confident	81.4	Confident	13 Å²	13	32.7 Å²	32.7	9%	0.091	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	143.6	168.2	73.1	0	0	0	0	110.7	S478 L501 K532 A533 G534	S478-S530 CarbonylContact O-C 3.53Å; S478-S530 WeakPolarHBondContact O-CA 3.41Å; L501-S530 PolarHBondContact O-N 3Å; S530-K532 PolarHBondContact O-N 2.94Å; S530-A533 CarbonylContact O-C 3.55Å; S530-A533 WeakPolarHBondContact O-CA 3.19Å; S530-A533 PolarHBondContact O-N 3.06Å; S530-A533 WeakPolarHBondContact OG-CB 3.32Å; S530-A533 PolarHBondContact OG-N 2.77Å; S530-G534 PolarHBondContact O-N 2.73Å
531	S	78.4	Confident	81.5	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-54.5	-41.4	-179	-44.2	0	0	0	0	111.9	V477 S478 N479 G534 G535	V477-S531 VanDerWaalsContact CG1-OG 3.26Å; V477-S531 WeakPolarHBondContact CG1-OG 3.24Å; S478-S531 PolarHBondContact O-N 3.02Å; S478-S531 PolarHBondContact O-OG 3.16Å; N479-S531 WeakPolarHBondContact OD1-CB 3.43Å; N479-S531 PolarHBondContact OD1-OG 3.28Å; S531-G534 CarbonylContact O-C 3.58Å; S531-G534 WeakPolarHBondContact O-CA 3.5Å; S531-G534 PolarHBondContact O-N 3.1Å; S531-G535 PolarHBondContact O-N 2.91Å
532	K	71.6	Confident	81.8	Confident	162 Å²	162	23.4 Å²	23.4	70%	0.704	13%	0.134	S	C	*	.	H	α-helix	trans	-66.2	-39.8	175.9	-63.6	-177.1	-178.4	177.8	0	112.7	S530 G534 G535	S530-K532 PolarHBondContact O-N 2.94Å; K532-G534 VanDerWaalsContact C-N 3.28Å; K532-G535 PolarHBondContact O-N 2.85Å
533	A	65.8	Low	82.1	Confident	6 Å²	6	22.8 Å²	22.8	5%	0.05	13%	0.131	C	C	.	.	H	α-helix	trans	-70.1	-29.3	174.6	0	0	0	0	0	111.7	L501 R510 S530 G535 C536	L501-A533 HydrophobicContact CD2-CB 3.61Å; R510-A533 PolarHBondContact NH2-O 3.49Å; S530-A533 CarbonylContact O-C 3.55Å; S530-A533 WeakPolarHBondContact O-CA 3.19Å; S530-A533 PolarHBondContact O-N 3.06Å; S530-A533 WeakPolarHBondContact OG-CB 3.32Å; S530-A533 PolarHBondContact OG-N 2.77Å; A533-G535 VanDerWaalsContact C-N 3.34Å; A533-C536 PolarHBondContact O-SG 3.46Å
534	G	57.6	Low	82.2	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-72.9	-19.9	174.9	0	0	0	0	0	115.5	S530 S531 K532 C536 R564	S530-G534 PolarHBondContact O-N 2.73Å; S531-G534 CarbonylContact O-C 3.58Å; S531-G534 WeakPolarHBondContact O-CA 3.5Å; S531-G534 PolarHBondContact O-N 3.1Å; K532-G534 VanDerWaalsContact C-N 3.28Å; G534-C536 PolarHBondContact O-N 3.42Å; G534-R564 WeakPolarHBondContact O-CD 3.25Å; G534-R564 PolarHBondContact O-NE 3.49Å
535	G	58	Low	82.3	Confident	10 Å²	10	19 Å²	19	10%	0.103	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-13.4	175.7	0	0	0	0	0	114.8	S531 K532 A533 G537 Q560	S531-G535 PolarHBondContact O-N 2.91Å; K532-G535 PolarHBondContact O-N 2.85Å; A533-G535 VanDerWaalsContact C-N 3.34Å; G535-G537 VanDerWaalsContact C-N 3.26Å; G535-G537 PolarHBondContact O-N 2.97Å; G535-Q560 VanDerWaalsContact CA-OE1 3.3Å; G535-Q560 PolarHBondContact O-NE2 2.98Å
536	C	56.5	Low	82.3	Confident	10 Å²	10	18.7 Å²	18.7	7%	0.068	10%	0.103	C	C	.	.	S	Bend	trans	-86.7	40.1	-166.7	-49.2	0	0	0	0	114	S179 L180 R510 A533 G534 L538	S179-C536 WeakPolarHBondContact CB-SG 3.3Å; S179-C536 PolarHBondContact OG-SG 2.84Å; L180-C536 HydrophobicContact CD2-CB 4.42Å; L180-C536 VanDerWaalsContact CD2-O 3.31Å; L180-C536 WeakPolarHBondContact CD2-O 3.16Å; R510-C536 PolarHBondContact NH1-SG 3.18Å; A533-C536 PolarHBondContact O-SG 3.46Å; G534-C536 PolarHBondContact O-N 3.42Å; C536-L538 PolarHBondContact O-N 3.05Å
537	G	62.3	Low	82.3	Confident	11 Å²	11	18.8 Å²	18.8	11%	0.113	10%	0.104	C	C	.	.			trans	72.9	5.5	167.8	0	0	0	0	0	115.5	G535 R564 R567	G535-G537 VanDerWaalsContact C-N 3.26Å; G535-G537 PolarHBondContact O-N 2.97Å; G537-R564 PolarHBondContact O-NH1 3.49Å; G537-R567 PolarHBondContact O-NH1 3.31Å
538	L	75.8	Confident	82.3	Confident	20 Å²	20	18.9 Å²	18.9	11%	0.105	10%	0.104	C	C	.	.			trans	-57.6	152.4	-174.6	-60	173.8	0	0	0	112.5	L501 R510 V514 C536 R564 R567	L501-L538 HydrophobicContact CD1-CD1 3.59Å; L501-L538 HydrophobicContact CD2-CD1 4.42Å; R510-L538 HydrophobicContact CG-CD2 4.47Å; V514-L538 HydrophobicContact CG2-CD2 4.13Å; C536-L538 PolarHBondContact O-N 3.05Å; L538-R564 WeakPolarHBondContact O-CD 3.32Å; L538-R564 PolarHBondContact O-NH1 2.92Å; L538-R567 PolarHBondContact O-NH1 3.25Å
539	N	83.4	Confident	82.4	Confident	52 Å²	52	19 Å²	19	28%	0.278	11%	0.105	S	C	.	.			trans	-120.1	111.9	174.6	-164.6	24.2	0	0	0	109.1	V514 N518 I541	V514-N539 WeakPolarHBondContact CG1-O 3.39Å; N518-N539 PolarHBondContact ND2-O 2.82Å; N539-I541 VanDerWaalsContact OD1-CG2 3.25Å; N539-I541 WeakPolarHBondContact OD1-CG2 3.24Å
540	L	88.9	Confident	82.4	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.			trans	-116.1	42.3	-175	-61.8	176.3	0	0	0	111.3	V475 V514 F517 N518 F527 L529 G542 A543 R564 V565	V475-L540 HydrophobicContact CG1-CD1 4.03Å; V475-L540 HydrophobicContact CG2-CB 4.3Å; V475-L540 HydrophobicContact CG2-CD1 4.08Å; V514-L540 HydrophobicContact CG1-CD2 4.2Å; V514-L540 HydrophobicContact CG2-CD2 4.28Å; F517-L540 HydrophobicContact CD1-CD2 4.36Å; N518-L540 WeakPolarHBondContact OD1-CA 3.48Å; F527-L540 HydrophobicContact CD1-CD1 4Å; F527-L540 HydrophobicContact CD1-CD2 4.28Å; F527-L540 HydrophobicContact CD2-CD2 4.12Å; F527-L540 HydrophobicContact CE1-CD1 4.06Å; F527-L540 HydrophobicContact CE1-CD2 4.05Å; F527-L540 HydrophobicContact CE2-CD2 3.91Å; F527-L540 HydrophobicContact CG-CD2 4.32Å; F527-L540 HydrophobicContact CZ-CD2 3.86Å; L529-L540 HydrophobicContact CD2-CD1 4.13Å; L540-G542 PolarHBondContact O-N 3.23Å; L540-G542 VanDerWaalsContact O-N 3.16Å; L540-A543 PolarHBondContact O-N 2.85Å; L540-A543 VanDerWaalsContact O-N 3.12Å; L540-R564 HydrophobicContact CD1-CB 4.24Å; L540-R564 HydrophobicContact CG-CB 4.47Å; L540-R564 PolarHBondContact N-O 3.5Å; L540-V565 HydrophobicContact CB-CG2 4.41Å
541	I	90.4	Very high	82.5	Confident	47 Å²	47	18.6 Å²	18.6	24%	0.241	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-12.2	-178.4	54	165.2	0	0	0	114.4	N518 N539 A543 R567 Q570	N518-I541 PolarHBondContact OD1-N 3.31Å; N539-I541 VanDerWaalsContact OD1-CG2 3.25Å; N539-I541 WeakPolarHBondContact OD1-CG2 3.24Å; I541-A543 PolarHBondContact O-N 3.11Å; I541-R567 HydrophobicContact CG2-CB 4.39Å; I541-Q570 HydrophobicContact CG2-CB 4.42Å
542	G	90.8	Very high	82.9	Confident	25 Å²	25	19.6 Å²	19.6	26%	0.258	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.5	171.3	0	0	0	0	0	113.4	N518 L540	N518-G542 PolarHBondContact OD1-N 3.03Å; L540-G542 PolarHBondContact O-N 3.23Å; L540-G542 VanDerWaalsContact O-N 3.16Å
543	A	94.4	Very high	83.4	Confident	1 Å²	1	15.3 Å²	15.3	1%	0.008	9%	0.086	C	C	.	.			trans	-94.9	157.9	170.8	0	0	0	0	0	111.3	K473 V475 F517 L540 I541 V565 Q570	K473-A543 HydrophobicContact CB-CB 4.12Å; K473-A543 WeakPolarHBondContact O-CB 3.12Å; V475-A543 HydrophobicContact CG2-CB 3.49Å; V475-A543 VanDerWaalsContact CG2-CB 3.49Å; F517-A543 HydrophobicContact CE1-CB 3.75Å; F517-A543 HydrophobicContact CZ-CB 3.97Å; L540-A543 PolarHBondContact O-N 2.85Å; L540-A543 VanDerWaalsContact O-N 3.12Å; I541-A543 PolarHBondContact O-N 3.11Å; A543-V565 HydrophobicContact CB-CG2 4.49Å; A543-V565 WeakPolarHBondContact O-CG1 3.35Å; A543-Q570 PolarHBondContact O-NE2 3.32Å
544	N	94.4	Very high	84	Confident	2 Å²	2	16.8 Å²	16.8	1%	0.011	9%	0.094	C	C	.	.			trans	-129.6	-4.2	173.2	69.2	-65.4	0	0	0	112.3	D472 K473 K572 T573 C574 Y575	D472-N544 WeakPolarHBondContact CB-OD1 3.28Å; D472-N544 VanDerWaalsContact CG-CG 3.46Å; D472-N544 PolarHBondContact OD1-ND2 2.62Å; D472-N544 PolarHBondContact OD1-OD1 3.38Å; D472-N544 PolarHBondContact OD2-ND2 3.35Å; K473-N544 PolarHBondContact O-N 3.31Å; N544-K572 HydrophobicContact CB-CB 3.81Å; N544-K572 HydrophobicContact CB-CD 4.07Å; N544-T573 PolarHBondContact ND2-O 3.47Å; N544-C574 CarbonylContact O-C 3.53Å; N544-C574 VanDerWaalsContact O-CA 3.23Å; N544-C574 WeakPolarHBondContact O-CA 3.38Å; N544-Y575 PolarHBondContact O-N 2.91Å
545	R	96.2	Very high	85.2	Confident	29 Å²	29	17.4 Å²	17.4	11%	0.109	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.2	174.1	-57.7	-173.8	-176.7	-99.6	-3.7	109.9	D472 K473 V474 V475 Y575 Y577	D472-R545 HydrophobicContact CB-CG 4.48Å; D472-R545 IonicContact OD2-CZ 3.29Å; D472-R545 IonicContact OD2-NE 2.72Å; D472-R545 PolarHBondContact OD2-NE 3.45Å; D472-R545 IonicContact OD2-NH2 2.62Å; D472-R545 PolarHBondContact OD2-NH2 3.36Å; D472-R545 VanDerWaalsContact OD2-NH2 3.08Å; K473-R545 PolarHBondContact O-N 3.19Å; V474-R545 CarbonylContact C-O 3.58Å; V474-R545 WeakPolarHBondContact CA-O 3.34Å; V474-R545 HydrophobicContact CG1-CB 4.45Å; V474-R545 HydrophobicContact CG2-CB 4.22Å; V475-R545 PolarHBondContact N-O 3.06Å; R545-Y575 CarbonylContact C-O 3.6Å; R545-Y575 VanDerWaalsContact CA-O 3.3Å; R545-Y575 WeakPolarHBondContact CA-O 3.45Å; R545-Y575 HydrophobicContact CG-CD2 4.08Å; R545-Y577 HydrophobicContact CB-CE2 4.33Å; R545-Y577 PolarHBondContact NH1-OH 3.24Å
546	L	96.2	Very high	86.1	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.9	174.2	-174.9	146.4	0	0	0	109.3	V475 V477 M548 A561 M562 V565 Y575 I576 Y577	V475-L546 HydrophobicContact CB-CB 4.36Å; V475-L546 HydrophobicContact CB-CD1 4.21Å; V475-L546 HydrophobicContact CB-CG 4.19Å; V475-L546 HydrophobicContact CG1-CD1 4.01Å; V475-L546 HydrophobicContact CG1-CG 4.27Å; V475-L546 CarbonylContact O-C 3.58Å; V475-L546 VanDerWaalsContact O-CA 3.31Å; V475-L546 WeakPolarHBondContact O-CA 3.25Å; V477-L546 HydrophobicContact CG2-CD1 4.03Å; V477-L546 HydrophobicContact CG2-CD2 4.16Å; V477-L546 HydrophobicContact CG2-CG 4.08Å; L546-M548 HydrophobicContact CD2-CB 4.31Å; L546-A561 WeakPolarHBondContact CD1-O 3.33Å; L546-M562 HydrophobicContact CD2-CG 4.34Å; L546-V565 HydrophobicContact CB-CG2 4.13Å; L546-V565 HydrophobicContact CD1-CB 4.49Å; L546-V565 HydrophobicContact CD1-CG2 3.77Å; L546-Y575 PolarHBondContact N-O 3.14Å; L546-I576 HydrophobicContact CB-CD1 3.67Å; L546-I576 HydrophobicContact CD2-CG2 4.22Å; L546-I576 CarbonylContact O-C 3.58Å; L546-I576 WeakPolarHBondContact O-CA 3.39Å; L546-Y577 WeakPolarHBondContact O-CD2 3.36Å; L546-Y577 PolarHBondContact O-N 3.14Å
547	V	97.3	Very high	87.2	Confident	1 Å²	1	19 Å²	19	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113.2	172.2	-172.9	0	0	0	0	108.8	L459 I462 V474 V475 L476 V477 Y577 L579	L459-V547 HydrophobicContact CD1-CB 4.3Å; L459-V547 HydrophobicContact CD1-CG1 3.98Å; L459-V547 HydrophobicContact CD1-CG2 4.23Å; I462-V547 HydrophobicContact CG2-CG2 4.27Å; V474-V547 HydrophobicContact CG1-CG2 4.1Å; V475-V547 PolarHBondContact O-N 3.26Å; L476-V547 HydrophobicContact CD2-CB 3.75Å; L476-V547 HydrophobicContact CD2-CG2 3.96Å; V477-V547 PolarHBondContact N-O 2.88Å; V547-Y577 CarbonylContact C-O 3.6Å; V547-Y577 WeakPolarHBondContact CA-O 3.18Å; V547-Y577 HydrophobicContact CG2-CD2 3.96Å; V547-Y577 HydrophobicContact CG2-CG 4.45Å; V547-L579 HydrophobicContact CG1-CD1 3.8Å; V547-L579 HydrophobicContact CG1-CD2 4.46Å; V547-L579 HydrophobicContact CG1-CG 3.83Å
548	M	95.3	Very high	88.2	Confident	3 Å²	3	18.5 Å²	18.5	2%	0.015	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	106.7	167.1	-175	64.7	72	0	0	108	V477 L546 D558 A561 M562 Y577 R578 L579	V477-M548 HydrophobicContact CB-CE 4.16Å; V477-M548 HydrophobicContact CB-SD 3.9Å; V477-M548 HydrophobicContact CG1-CE 3.85Å; V477-M548 HydrophobicContact CG1-SD 3.67Å; L546-M548 HydrophobicContact CD2-CB 4.31Å; M548-D558 HydrophobicContact CE-CB 4.11Å; M548-A561 HydrophobicContact CE-CB 3.73Å; M548-M562 HydrophobicContact CE-CG 4.35Å; M548-Y577 PolarHBondContact N-O 2.85Å; M548-R578 HydrophobicContact CB-CG 4.21Å; M548-L579 PolarHBondContact O-N 3.18Å
549	F	96.3	Very high	88.5	Confident	1 Å²	1	19.9 Å²	19.9	0%	0.004	11%	0.105	C	C	.	.			trans	-83.2	-29.4	-169.9	-169.2	-98.8	0	0	0	114.1	N416 K455 M456 L459 V477 T483 F487 L579	N416-F549 HydrophobicContact CB-CE1 3.87Å; K455-F549 HydrophobicContact CB-CE1 4.5Å; K455-F549 HydrophobicContact CB-CE2 3.87Å; K455-F549 HydrophobicContact CB-CZ 3.75Å; K455-F549 PolarHBondContact NZ-O 3.48Å; M456-F549 HydrophobicContact CE-CE2 4.42Å; M456-F549 HydrophobicContact CE-CZ 3.91Å; L459-F549 HydrophobicContact CB-CD2 4.45Å; L459-F549 HydrophobicContact CB-CE2 4.11Å; L459-F549 HydrophobicContact CD2-CD2 3.92Å; L459-F549 HydrophobicContact CD2-CE2 3.85Å; V477-F549 WeakPolarHBondContact O-CB 3.16Å; V477-F549 PolarHBondContact O-N 3.39Å; T483-F549 HydrophobicContact CG2-CD1 3.65Å; T483-F549 HydrophobicContact CG2-CE1 3.73Å; F487-F549 HydrophobicContact CE1-CD1 4.2Å; F487-F549 AromaticContact CE1-CD2 3.82Å; F487-F549 HydrophobicContact CE1-CD2 3.82Å; F487-F549 HydrophobicContact CE1-CE1 4.29Å; F487-F549 AromaticContact CE1-CE2 3.96Å; F487-F549 HydrophobicContact CE1-CE2 3.96Å; F487-F549 AromaticContact CE1-CG 3.96Å; F487-F549 HydrophobicContact CE1-CG 3.96Å; F487-F549 HydrophobicContact CE1-CZ 4.19Å; F487-F549 HydrophobicContact CE2-CB 4.43Å; F487-F549 HydrophobicContact CZ-CB 3.67Å; F487-F549 AromaticContact CZ-CD1 3.83Å; F487-F549 HydrophobicContact CZ-CD1 3.83Å; F487-F549 AromaticContact CZ-CD2 3.71Å; F487-F549 HydrophobicContact CZ-CD2 3.71Å; F487-F549 HydrophobicContact CZ-CE1 4.37Å; F487-F549 HydrophobicContact CZ-CE2 4.3Å; F487-F549 AromaticContact CZ-CG 3.46Å; F487-F549 HydrophobicContact CZ-CG 3.46Å; F487-F549 VanDerWaalsContact CZ-CG 3.46Å; F549-L579 HydrophobicContact CD2-CD1 3.82Å; F549-L579 HydrophobicContact CE2-CD1 4.16Å
550	D	92.6	Very high	88.3	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.097	C	C	.	.	S	Bend	trans	-143.7	137.6	179.3	49.6	-101	0	0	0	111.1	N416 S478 N479	N416-D550 PolarHBondContact ND2-OD1 3.14Å; S478-D550 VanDerWaalsContact CB-OD1 3.29Å; S478-D550 WeakPolarHBondContact CB-OD1 3.31Å; S478-D550 PolarHBondContact OG-OD1 2.96Å; N479-D550 WeakPolarHBondContact CB-OD2 3.16Å; N479-D550 VanDerWaalsContact CG-OD2 3.3Å; N479-D550 PolarHBondContact N-OD2 3.43Å; N479-D550 PolarHBondContact ND2-O 3.31Å; N479-D550 PolarHBondContact ND2-OD2 2.86Å
551	P	91.2	Very high	88.1	Confident	5 Å²	5	18.7 Å²	18.7	3%	0.032	10%	0.098	C	C	.	.			trans	-79.8	143.8	-178.1	31.5	-34.6	0	0	0	112.1	K412 E586 I589	K412-P551 PolarHBondContact NZ-O 3.32Å; P551-E586 HydrophobicContact CG-CB 4.13Å; P551-E586 HydrophobicContact CG-CG 4.42Å; P551-I589 HydrophobicContact CB-CG2 3.91Å; P551-I589 HydrophobicContact CG-CB 4.28Å; P551-I589 HydrophobicContact CG-CG2 4.01Å
552	D	86.6	Confident	87.8	Confident	25 Å²	25	17.3 Å²	17.3	13%	0.134	9%	0.091	C	C	.	.			trans	-89.5	156.9	170.3	-167.6	-110.3	0	0	0	112.3	N554 N557 D558 I589 Q593	D552-N554 PolarHBondContact O-N 2.92Å; D552-N554 WeakPolarHBondContact OD1-CB 3.2Å; D552-N554 PolarHBondContact OD1-N 3.01Å; D552-N557 HydrophobicContact CB-CB 4.26Å; D552-N557 PolarHBondContact OD1-ND2 3.45Å; D552-D558 WeakPolarHBondContact CB-OD1 3.34Å; D552-D558 PolarHBondContact N-OD1 2.92Å; D552-D558 PolarHBondContact N-OD2 3.07Å; D552-I589 WeakPolarHBondContact O-CG2 3.24Å; D552-Q593 PolarHBondContact O-NE2 2.69Å
553	W	82.3	Confident	87.3	Confident	71 Å²	71	16.9 Å²	16.9	27%	0.269	9%	0.085	S	C	.	.	S	Bend	trans	-68	-23.3	174.8	-74.4	105.4	0	0	0	113.5	I408 I589 R592 K596 L622	I408-W553 HydrophobicContact CG2-CZ2 4.07Å; W553-I589 HydrophobicContact CD2-CG1 4.11Å; W553-I589 HydrophobicContact CE3-CG1 3.96Å; W553-I589 HydrophobicContact CE3-CG2 4.36Å; W553-I589 HydrophobicContact CH2-CD1 4.2Å; W553-I589 HydrophobicContact CH2-CG1 3.43Å; W553-I589 VanDerWaalsContact CH2-CG1 3.43Å; W553-I589 HydrophobicContact CZ2-CD1 3.87Å; W553-I589 HydrophobicContact CZ2-CG1 3.62Å; W553-I589 HydrophobicContact CZ3-CB 4.4Å; W553-I589 HydrophobicContact CZ3-CG1 3.61Å; W553-R592 VanDerWaalsContact CZ3-NH1 3.27Å; W553-K596 PolarHBondContact O-NZ 3.29Å; W553-L622 HydrophobicContact CH2-CD1 3.56Å; W553-L622 HydrophobicContact CH2-CG 4.37Å; W553-L622 HydrophobicContact CZ2-CD1 4.28Å; W553-L622 HydrophobicContact CZ3-CD1 4.46Å
554	N	78.4	Confident	86.8	Confident	38 Å²	38	17.5 Å²	17.5	20%	0.203	9%	0.087	C	C	.	.	S	Bend	trans	-103.5	109.4	178.2	-178.9	16.1	0	0	0	109.9	Q287 D552 A556 N557	Q287-N554 PolarHBondContact NE2-ND2 3.35Å; Q287-N554 PolarHBondContact NE2-OD1 2.96Å; D552-N554 PolarHBondContact O-N 2.92Å; D552-N554 WeakPolarHBondContact OD1-CB 3.2Å; D552-N554 PolarHBondContact OD1-N 3.01Å; N554-A556 PolarHBondContact O-N 2.86Å; N554-A556 WeakPolarHBondContact OD1-CB 3.22Å; N554-A556 PolarHBondContact OD1-N 3.36Å; N554-N557 PolarHBondContact O-N 3.39Å
555	P	81.6	Confident	86.6	Confident	13 Å²	13	17.4 Å²	17.4	8%	0.084	9%	0.086	C	C	.	.	H	α-helix	trans	-57.1	-29	-177.3	19.6	-30.7	0	0	0	113.7	N557 D558 E559 Q593 K596 K597	P555-N557 VanDerWaalsContact C-N 3.29Å; P555-N557 PolarHBondContact O-N 3.4Å; P555-D558 PolarHBondContact O-N 3.05Å; P555-E559 WeakPolarHBondContact O-CG 3.42Å; P555-E559 PolarHBondContact O-N 3.39Å; P555-Q593 HydrophobicContact CB-CB 4.08Å; P555-Q593 HydrophobicContact CB-CG 4.15Å; P555-K596 HydrophobicContact CG-CB 4.26Å; P555-K597 HydrophobicContact CB-CD 4.27Å; P555-K597 VanDerWaalsContact CB-CE 3.42Å; P555-K597 HydrophobicContact CB-CG 3.9Å; P555-K597 HydrophobicContact CG-CG 4.07Å
556	A	77.3	Confident	86.2	Confident	8 Å²	8	17 Å²	17	7%	0.066	9%	0.085	C	C	.	.	H	α-helix	trans	-58.7	-37.3	176.8	0	0	0	0	0	114.1	T284 N554 D558 E559 Q560	T284-A556 HydrophobicContact CG2-CB 3.13Å; N554-A556 PolarHBondContact O-N 2.86Å; N554-A556 WeakPolarHBondContact OD1-CB 3.22Å; N554-A556 PolarHBondContact OD1-N 3.36Å; A556-D558 VanDerWaalsContact C-N 3.32Å; A556-E559 PolarHBondContact O-N 2.7Å; A556-Q560 VanDerWaalsContact O-CB 3.22Å; A556-Q560 WeakPolarHBondContact O-CB 3.49Å; A556-Q560 PolarHBondContact O-N 2.99Å
557	N	79.4	Confident	85.6	Confident	45 Å²	45	19.2 Å²	19.2	24%	0.241	9%	0.093	C	C	.	.	H	α-helix	trans	-66.2	-40.9	-179	-70.4	-24.1	0	0	0	110.2	D552 N554 P555 Q560 A561	D552-N557 HydrophobicContact CB-CB 4.26Å; D552-N557 PolarHBondContact OD1-ND2 3.45Å; N554-N557 PolarHBondContact O-N 3.39Å; P555-N557 VanDerWaalsContact C-N 3.29Å; P555-N557 PolarHBondContact O-N 3.4Å; N557-Q560 PolarHBondContact O-N 2.78Å; N557-A561 PolarHBondContact O-N 2.91Å
558	D	84.3	Confident	84.7	Confident	1 Å²	1	24 Å²	24	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-67.1	-47.2	177.4	-68.5	10.4	0	0	0	110.5	M548 D552 P555 A556 Q560 A561 M562 Q593	M548-D558 HydrophobicContact CE-CB 4.11Å; D552-D558 WeakPolarHBondContact CB-OD1 3.34Å; D552-D558 PolarHBondContact N-OD1 2.92Å; D552-D558 PolarHBondContact N-OD2 3.07Å; P555-D558 PolarHBondContact O-N 3.05Å; A556-D558 VanDerWaalsContact C-N 3.32Å; D558-Q560 VanDerWaalsContact C-N 3.28Å; D558-Q560 PolarHBondContact O-N 3.35Å; D558-A561 PolarHBondContact O-N 3.29Å; D558-A561 VanDerWaalsContact O-N 3.12Å; D558-M562 VanDerWaalsContact O-CG 3.3Å; D558-M562 WeakPolarHBondContact O-CG 2.92Å; D558-M562 PolarHBondContact O-N 3.46Å; D558-Q593 PolarHBondContact OD2-NE2 3.2Å
559	E	80.9	Confident	84.2	Confident	48 Å²	48	25.6 Å²	25.6	22%	0.224	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-41.1	175.4	-73.9	175.6	178	0	0	112.6	P555 A556 A561 M562 A563 K597	P555-E559 WeakPolarHBondContact O-CG 3.42Å; P555-E559 PolarHBondContact O-N 3.39Å; A556-E559 PolarHBondContact O-N 2.7Å; E559-A561 VanDerWaalsContact C-N 3.28Å; E559-A561 PolarHBondContact O-N 2.9Å; E559-M562 HydrophobicContact CB-CE 4.33Å; E559-M562 HydrophobicContact CG-CE 3.88Å; E559-M562 PolarHBondContact O-N 3.02Å; E559-A563 WeakPolarHBondContact O-CB 3.48Å; E559-A563 PolarHBondContact O-N 2.87Å; E559-K597 WeakPolarHBondContact OE1-CE 3.4Å; E559-K597 IonicContact OE1-NZ 3.16Å; E559-K597 PolarHBondContact OE1-NZ 2.69Å
560	Q	80.1	Confident	83.8	Confident	26 Å²	26	26.3 Å²	26.3	12%	0.121	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-37	177.5	-173.4	169.6	45.4	0	0	112.3	M143 E255 G535 A556 N557 D558 R564	M143-Q560 HydrophobicContact CE-CB 3.64Å; M143-Q560 HydrophobicContact CE-CG 3.32Å; M143-Q560 WeakPolarHBondContact SD-CA 3.45Å; M143-Q560 HydrophobicContact SD-CB 3.42Å; M143-Q560 WeakPolarHBondContact SD-CB 3.37Å; M143-Q560 HydrophobicContact SD-CG 3.86Å; E255-Q560 PolarHBondContact OE1-NE2 2.82Å; E255-Q560 VanDerWaalsContact OE1-NE2 3.11Å; G535-Q560 VanDerWaalsContact CA-OE1 3.3Å; G535-Q560 PolarHBondContact O-NE2 2.98Å; A556-Q560 VanDerWaalsContact O-CB 3.22Å; A556-Q560 WeakPolarHBondContact O-CB 3.49Å; A556-Q560 PolarHBondContact O-N 2.99Å; N557-Q560 PolarHBondContact O-N 2.78Å; D558-Q560 VanDerWaalsContact C-N 3.28Å; D558-Q560 PolarHBondContact O-N 3.35Å; Q560-R564 VanDerWaalsContact CG-NH2 3.35Å; Q560-R564 PolarHBondContact O-NE 2.79Å; Q560-R564 PolarHBondContact O-NH2 2.87Å
561	A	83.2	Confident	83.7	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-76.4	-38.4	176.1	0	0	0	0	0	112.2	V477 L546 M548 N557 D558 E559 A563 R564	V477-A561 HydrophobicContact CG1-CB 4Å; V477-A561 HydrophobicContact CG2-CB 4.5Å; L546-A561 WeakPolarHBondContact CD1-O 3.33Å; M548-A561 HydrophobicContact CE-CB 3.73Å; N557-A561 PolarHBondContact O-N 2.91Å; D558-A561 PolarHBondContact O-N 3.29Å; D558-A561 VanDerWaalsContact O-N 3.12Å; E559-A561 VanDerWaalsContact C-N 3.28Å; E559-A561 PolarHBondContact O-N 2.9Å; A561-A563 VanDerWaalsContact C-N 3.33Å; A561-A563 PolarHBondContact O-N 3.24Å; A561-R564 VanDerWaalsContact O-CB 3.32Å; A561-R564 WeakPolarHBondContact O-CB 3.4Å; A561-R564 WeakPolarHBondContact O-CG 3.11Å; A561-R564 PolarHBondContact O-N 3.48Å
562	M	84.2	Confident	83.8	Confident	19 Å²	19	39.7 Å²	39.7	9%	0.094	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-38.7	176.2	-67.6	-175	-63.2	0	0	112	L546 M548 D558 E559 R564 V565 I576	L546-M562 HydrophobicContact CD2-CG 4.34Å; M548-M562 HydrophobicContact CE-CG 4.35Å; D558-M562 VanDerWaalsContact O-CG 3.3Å; D558-M562 WeakPolarHBondContact O-CG 2.92Å; D558-M562 PolarHBondContact O-N 3.46Å; E559-M562 HydrophobicContact CB-CE 4.33Å; E559-M562 HydrophobicContact CG-CE 3.88Å; E559-M562 PolarHBondContact O-N 3.02Å; M562-R564 PolarHBondContact O-N 3.42Å; M562-V565 PolarHBondContact O-N 3.32Å; M562-I576 HydrophobicContact CG-CG2 3.81Å; M562-I576 HydrophobicContact SD-CG2 3.6Å
563	A	81.8	Confident	84.2	Confident	16 Å²	16	41 Å²	41	13%	0.132	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	6.8	177.8	0	0	0	0	0	114.9	M143 E559 A561	M143-A563 HydrophobicContact CB-CB 3.99Å; E559-A563 WeakPolarHBondContact O-CB 3.48Å; E559-A563 PolarHBondContact O-N 2.87Å; A561-A563 VanDerWaalsContact C-N 3.33Å; A561-A563 PolarHBondContact O-N 3.24Å
564	R	83.8	Confident	84.8	Confident	13 Å²	13	37.6 Å²	37.6	5%	0.049	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-27.7	177.1	-57.1	-63	136.9	-154	-2.1	113.7	G534 G537 L538 L540 Q560 A561 M562	G534-R564 WeakPolarHBondContact O-CD 3.25Å; G534-R564 PolarHBondContact O-NE 3.49Å; G537-R564 PolarHBondContact O-NH1 3.49Å; L538-R564 WeakPolarHBondContact O-CD 3.32Å; L538-R564 PolarHBondContact O-NH1 2.92Å; L540-R564 HydrophobicContact CD1-CB 4.24Å; L540-R564 HydrophobicContact CG-CB 4.47Å; L540-R564 PolarHBondContact N-O 3.5Å; Q560-R564 VanDerWaalsContact CG-NH2 3.35Å; Q560-R564 PolarHBondContact O-NE 2.79Å; Q560-R564 PolarHBondContact O-NH2 2.87Å; A561-R564 VanDerWaalsContact O-CB 3.32Å; A561-R564 WeakPolarHBondContact O-CB 3.4Å; A561-R564 WeakPolarHBondContact O-CG 3.11Å; A561-R564 PolarHBondContact O-N 3.48Å; M562-R564 PolarHBondContact O-N 3.42Å
565	V	88.7	Confident	85.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-44.6	-176.3	174.1	0	0	0	0	111.1	V475 L540 A543 L546 M562 R567 Q570	V475-V565 HydrophobicContact CB-CG2 4.11Å; V475-V565 HydrophobicContact CG2-CG2 3.65Å; L540-V565 HydrophobicContact CB-CG2 4.41Å; A543-V565 HydrophobicContact CB-CG2 4.49Å; A543-V565 WeakPolarHBondContact O-CG1 3.35Å; L546-V565 HydrophobicContact CB-CG2 4.13Å; L546-V565 HydrophobicContact CD1-CB 4.49Å; L546-V565 HydrophobicContact CD1-CG2 3.77Å; M562-V565 PolarHBondContact O-N 3.32Å; V565-R567 PolarHBondContact O-N 3.18Å; V565-Q570 PolarHBondContact O-NE2 3.44Å; V565-Q570 VanDerWaalsContact O-NE2 3.08Å
566	W	88.3	Confident	86.3	Confident	20 Å²	20	38.1 Å²	38.1	8%	0.076	19%	0.191	C	C	.	.	S	Bend	trans	-87.5	83.7	175.6	-169.8	66	0	0	0	110.2	L358 L362 P363 K365 C574	L358-W566 HydrophobicContact CB-CH2 3.67Å; L358-W566 HydrophobicContact CB-CZ2 4.17Å; L358-W566 HydrophobicContact CB-CZ3 4.14Å; L358-W566 HydrophobicContact CD1-CH2 4.44Å; L358-W566 HydrophobicContact CD1-CZ3 4.06Å; L362-W566 HydrophobicContact CB-CZ2 3.94Å; L362-W566 HydrophobicContact CD1-CD2 3.89Å; L362-W566 HydrophobicContact CD1-CE3 4.33Å; L362-W566 HydrophobicContact CD1-CG 4.31Å; L362-W566 HydrophobicContact CD1-CZ2 4.04Å; P363-W566 PolarHBondContact O-NE1 3.3Å; K365-W566 HydrophobicContact CB-CD2 4.04Å; K365-W566 HydrophobicContact CB-CG 4.14Å; K365-W566 HydrophobicContact CB-CZ2 4.26Å; K365-W566 HydrophobicContact CD-CB 4.49Å; K365-W566 HydrophobicContact CD-CD2 3.88Å; K365-W566 HydrophobicContact CD-CE3 3.83Å; K365-W566 HydrophobicContact CD-CG 4.19Å; K365-W566 HydrophobicContact CD-CZ3 4.29Å; K365-W566 HydrophobicContact CG-CD2 4.31Å; K365-W566 HydrophobicContact CG-CG 4.28Å; W566-C574 HydrophobicContact CB-CB 4.31Å; W566-C574 HydrophobicContact CG-CB 4.48Å
567	R	84.3	Confident	87.2	Confident	49 Å²	49	38.8 Å²	38.8	19%	0.185	19%	0.192	C	C	.	.	S	Bend	trans	-145.5	164.9	-175	-160.6	164.8	-175.7	-173.5	-2.1	111	G537 L538 I541 V565 G569 Q570	G537-R567 PolarHBondContact O-NH1 3.31Å; L538-R567 PolarHBondContact O-NH1 3.25Å; I541-R567 HydrophobicContact CG2-CB 4.39Å; V565-R567 PolarHBondContact O-N 3.18Å; R567-G569 PolarHBondContact O-N 3.31Å; R567-Q570 WeakPolarHBondContact O-CB 3.35Å; R567-Q570 PolarHBondContact O-N 2.99Å
568	D	78.8	Confident	88	Confident	100 Å²	100	37.5 Å²	37.5	54%	0.535	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	131	176.7	-165.6	25.3	0	0	0	112
569	G	83.5	Confident	88.6	Confident	38 Å²	38	37.6 Å²	37.6	39%	0.392	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-9.7	-169.1	0	0	0	0	0	115.2	R567	R567-G569 PolarHBondContact O-N 3.31Å
570	Q	89.3	Confident	89.3	Confident	16 Å²	16	35.4 Å²	35.4	8%	0.075	17%	0.174	C	C	.	.			trans	-67	135.3	171.3	-179	57.8	-98.2	0	0	111.1	P363 I541 A543 V565 R567 K572 C574	P363-Q570 WeakPolarHBondContact CD-O 3.46Å; P363-Q570 HydrophobicContact CG-CG 4.17Å; P363-Q570 WeakPolarHBondContact CG-O 3.38Å; I541-Q570 HydrophobicContact CG2-CB 4.42Å; A543-Q570 PolarHBondContact O-NE2 3.32Å; V565-Q570 PolarHBondContact O-NE2 3.44Å; V565-Q570 VanDerWaalsContact O-NE2 3.08Å; R567-Q570 WeakPolarHBondContact O-CB 3.35Å; R567-Q570 PolarHBondContact O-N 2.99Å; Q570-K572 WeakPolarHBondContact CG-O 3.37Å; Q570-K572 PolarHBondContact OE1-O 3.37Å; Q570-C574 VanDerWaalsContact CG-SG 3.52Å; Q570-C574 PolarHBondContact NE2-SG 3.25Å
571	K	90.4	Very high	90	Very high	191 Å²	191	34.1 Å²	34.1	83%	0.83	17%	0.168	S	C	*	.			trans	-118	-15.7	-177.7	-60.7	-174.9	-178.7	-177.4	0	113.8
572	K	93.1	Very high	90.6	Very high	95 Å²	95	34.6 Å²	34.6	41%	0.413	17%	0.171	S	C	.	.	S	Bend	trans	-108.8	155.2	-178.3	-67.1	-177.4	172.3	-171.9	0	110.8	P363 D472 N544 Q570 C574	P363-K572 VanDerWaalsContact CB-O 3.28Å; P363-K572 WeakPolarHBondContact CB-O 3.31Å; D472-K572 IonicContact OD1-NZ 3.44Å; D472-K572 PolarHBondContact OD1-NZ 3.06Å; N544-K572 HydrophobicContact CB-CB 3.81Å; N544-K572 HydrophobicContact CB-CD 4.07Å; Q570-K572 WeakPolarHBondContact CG-O 3.37Å; Q570-K572 PolarHBondContact OE1-O 3.37Å; K572-C574 PolarHBondContact O-N 3.03Å
573	T	94.6	Very high	90.9	Very high	52 Å²	52	33.8 Å²	33.8	32%	0.319	17%	0.167	S	C	.	.			trans	-54.2	129.8	165.8	-56.5	0	0	0	0	110	V364 I366 N544 Y575	V364-T573 HydrophobicContact CB-CG2 4.23Å; V364-T573 WeakPolarHBondContact O-CA 3.36Å; V364-T573 WeakPolarHBondContact O-CG2 3.37Å; I366-T573 HydrophobicContact CD1-CG2 4.05Å; I366-T573 HydrophobicContact CG1-CG2 4.48Å; N544-T573 PolarHBondContact ND2-O 3.47Å; T573-Y575 HydrophobicContact CG2-CE1 4.47Å; T573-Y575 HydrophobicContact CG2-CE2 4.01Å
574	C	94.8	Very high	91.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.4	-179.4	-74.7	0	0	0	0	111.5	V364 I366 N544 W566 Q570 K572	V364-C574 PolarHBondContact O-N 3.4Å; I366-C574 PolarHBondContact N-O 3.49Å; N544-C574 CarbonylContact O-C 3.53Å; N544-C574 VanDerWaalsContact O-CA 3.23Å; N544-C574 WeakPolarHBondContact O-CA 3.38Å; W566-C574 HydrophobicContact CB-CB 4.31Å; W566-C574 HydrophobicContact CG-CB 4.48Å; Q570-C574 VanDerWaalsContact CG-SG 3.52Å; Q570-C574 PolarHBondContact NE2-SG 3.25Å; K572-C574 PolarHBondContact O-N 3.03Å
575	Y	96.1	Very high	91.8	Very high	60 Å²	60	32.4 Å²	32.4	24%	0.235	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.8	174.2	-56.9	-93.3	0	0	0	109.7	I366 N544 R545 L546 T573	I366-Y575 HydrophobicContact CB-CD1 4.14Å; I366-Y575 HydrophobicContact CD1-CD1 4.16Å; I366-Y575 HydrophobicContact CD1-CE1 3.65Å; I366-Y575 HydrophobicContact CG2-CD1 4.41Å; I366-Y575 WeakPolarHBondContact O-CA 3.4Å; N544-Y575 PolarHBondContact O-N 2.91Å; R545-Y575 CarbonylContact C-O 3.6Å; R545-Y575 VanDerWaalsContact CA-O 3.3Å; R545-Y575 WeakPolarHBondContact CA-O 3.45Å; R545-Y575 HydrophobicContact CG-CD2 4.08Å; L546-Y575 PolarHBondContact N-O 3.14Å; T573-Y575 HydrophobicContact CG2-CE1 4.47Å; T573-Y575 HydrophobicContact CG2-CE2 4.01Å
576	I	95.6	Very high	92	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.8	177.6	-52	-60.6	0	0	0	108.1	K365 I366 E367 Q368 L546 M562	K365-I576 HydrophobicContact CG-CG1 4.39Å; I366-I576 PolarHBondContact O-N 2.73Å; E367-I576 WeakPolarHBondContact CA-O 3.06Å; E367-I576 HydrophobicContact CG-CB 4.44Å; E367-I576 HydrophobicContact CG-CG2 4.5Å; Q368-I576 PolarHBondContact N-O 3.39Å; L546-I576 HydrophobicContact CB-CD1 3.67Å; L546-I576 HydrophobicContact CD2-CG2 4.22Å; L546-I576 CarbonylContact O-C 3.58Å; L546-I576 WeakPolarHBondContact O-CA 3.39Å; M562-I576 HydrophobicContact CG-CG2 3.81Å; M562-I576 HydrophobicContact SD-CG2 3.6Å
577	Y	96.9	Very high	92.1	Very high	22 Å²	22	31.4 Å²	31.4	9%	0.086	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.5	178.6	-55.6	-84.3	0	0	0	109.5	Q368 V370 I462 R545 L546 V547 M548	Q368-Y577 HydrophobicContact CB-CD1 4.35Å; Q368-Y577 CarbonylContact O-C 3.58Å; Q368-Y577 WeakPolarHBondContact O-CA 3.34Å; V370-Y577 HydrophobicContact CG2-CD1 4.45Å; I462-Y577 HydrophobicContact CD1-CD1 4.24Å; I462-Y577 HydrophobicContact CD1-CG 4.33Å; I462-Y577 HydrophobicContact CG2-CD2 4.47Å; I462-Y577 HydrophobicContact CG2-CE2 4.32Å; R545-Y577 HydrophobicContact CB-CE2 4.33Å; R545-Y577 PolarHBondContact NH1-OH 3.24Å; L546-Y577 WeakPolarHBondContact O-CD2 3.36Å; L546-Y577 PolarHBondContact O-N 3.14Å; V547-Y577 CarbonylContact C-O 3.6Å; V547-Y577 WeakPolarHBondContact CA-O 3.18Å; V547-Y577 HydrophobicContact CG2-CD2 3.96Å; V547-Y577 HydrophobicContact CG2-CG 4.45Å; M548-Y577 PolarHBondContact N-O 2.85Å
578	R	95.9	Very high	92.4	Very high	19 Å²	19	29.6 Å²	29.6	7%	0.072	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	104.6	174.4	-63.1	175.3	68.8	-168.9	-2.5	108.1	E367 Q368 V369 V370 M548	E367-R578 WeakPolarHBondContact OE1-CD 3.16Å; E367-R578 IonicContact OE1-CZ 3.28Å; E367-R578 IonicContact OE1-NE 3.55Å; E367-R578 IonicContact OE1-NH1 2.73Å; E367-R578 PolarHBondContact OE1-NH1 3.36Å; Q368-R578 PolarHBondContact O-N 3.19Å; V369-R578 HydrophobicContact CG2-CB 4.38Å; V370-R578 PolarHBondContact N-O 2.86Å; M548-R578 HydrophobicContact CB-CG 4.21Å
579	L	96.6	Very high	92.8	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.8	-177.7	-53.8	-170.7	0	0	0	109.9	V370 K455 T458 L459 I462 V547 M548 F549	V370-L579 HydrophobicContact CB-CD2 3.78Å; V370-L579 HydrophobicContact CG1-CD2 4.26Å; V370-L579 HydrophobicContact CG2-CD2 4.19Å; K455-L579 HydrophobicContact CD-CB 4.11Å; K455-L579 HydrophobicContact CG-CB 4.41Å; T458-L579 HydrophobicContact CG2-CD2 4.22Å; L459-L579 HydrophobicContact CB-CD1 4.17Å; I462-L579 HydrophobicContact CD1-CD2 4.07Å; V547-L579 HydrophobicContact CG1-CD1 3.8Å; V547-L579 HydrophobicContact CG1-CD2 4.46Å; V547-L579 HydrophobicContact CG1-CG 3.83Å; M548-L579 PolarHBondContact O-N 3.18Å; F549-L579 HydrophobicContact CD2-CD1 3.82Å; F549-L579 HydrophobicContact CE2-CD1 4.16Å
580	I	95.6	Very high	93.1	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	133.1	-176.4	-56.3	-177.2	0	0	0	109.1	V369 V370 C371 C372 E586 E587 L590	V369-I580 HydrophobicContact CG1-CD1 3.57Å; V369-I580 HydrophobicContact CG1-CG1 4.31Å; V370-I580 PolarHBondContact O-N 2.72Å; C371-I580 CarbonylContact C-O 3.56Å; C371-I580 WeakPolarHBondContact CA-O 3.34Å; C372-I580 PolarHBondContact N-O 3.48Å; I580-E586 HydrophobicContact CG2-CB 3.77Å; I580-E587 HydrophobicContact CG2-CB 4.31Å; I580-E587 HydrophobicContact CG2-CG 3.56Å; I580-L590 HydrophobicContact CD1-CB 3.76Å; I580-L590 HydrophobicContact CD1-CD1 4.06Å; I580-L590 HydrophobicContact CD1-CD2 3.21Å; I580-L590 HydrophobicContact CD1-CG 3.82Å
581	S	95.6	Very high	93	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	125.8	173.9	-68.1	0	0	0	0	111.8	C372 T584 E586	C372-S581 CarbonylContact O-C 3.56Å; C372-S581 WeakPolarHBondContact O-CA 3.41Å; S581-T584 WeakPolarHBondContact CB-OG1 3.43Å; S581-T584 PolarHBondContact O-OG1 2.9Å; S581-E586 PolarHBondContact N-OE2 3.34Å
582	T	93.9	Very high	92.5	Very high	11 Å²	11	17.9 Å²	17.9	7%	0.067	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	136	-172.1	-50	0	0	0	0	111.9	C372 T584 E587 T629 A630	C372-T582 VanDerWaalsContact C-OG1 3.24Å; C372-T582 PolarHBondContact N-OG1 3.38Å; C372-T582 PolarHBondContact O-N 2.92Å; C372-T582 PolarHBondContact O-OG1 2.8Å; C372-T582 VanDerWaalsContact O-OG1 3.04Å; T582-T584 WeakPolarHBondContact O-CG2 3.42Å; T582-T584 PolarHBondContact O-N 3.23Å; T582-E587 WeakPolarHBondContact CA-OE1 3.47Å; T582-E587 WeakPolarHBondContact CG2-OE1 3.5Å; T582-T629 HydrophobicContact CG2-CG2 4.22Å; T582-T629 VanDerWaalsContact CG2-O 3.24Å; T582-T629 WeakPolarHBondContact CG2-O 3.48Å; T582-A630 VanDerWaalsContact CG2-O 3.27Å; T582-A630 WeakPolarHBondContact CG2-O 3.35Å
583	G	91.8	Very high	92	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.01	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	20.1	176.8	0	0	0	0	0	114.4	E587 L625 N626	G583-E587 PolarHBondContact N-OE1 2.86Å; G583-L625 WeakPolarHBondContact O-CA 3.47Å; G583-N626 WeakPolarHBondContact CA-O 3.48Å; G583-N626 PolarHBondContact O-N 2.91Å
584	T	93.5	Very high	91.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-111.9	176.4	-177.9	73.2	0	0	0	0	112.6	L374 Y382 S581 T582 E586 E587 K588 L625	L374-T584 HydrophobicContact CD1-CG2 3.57Å; L374-T584 HydrophobicContact CD2-CG2 4.19Å; L374-T584 HydrophobicContact CG-CG2 3.9Å; Y382-T584 HydrophobicContact CE2-CG2 4.17Å; S581-T584 WeakPolarHBondContact CB-OG1 3.43Å; S581-T584 PolarHBondContact O-OG1 2.9Å; T582-T584 WeakPolarHBondContact O-CG2 3.42Å; T582-T584 PolarHBondContact O-N 3.23Å; T584-E586 PolarHBondContact O-N 2.71Å; T584-E586 PolarHBondContact OG1-N 3.29Å; T584-E586 VanDerWaalsContact OG1-N 3.12Å; T584-E587 PolarHBondContact O-N 3.07Å; T584-E587 VanDerWaalsContact O-N 3.11Å; T584-K588 PolarHBondContact O-N 3.16Å; T584-L625 HydrophobicContact CG2-CD1 4.05Å
585	I	91.1	Very high	90.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-44.9	-31.9	165.6	-168.7	172.4	0	0	0	114.4	Y382 I408 L411 K412 K588 I589 L622	Y382-I585 PolarHBondContact OH-N 3.1Å; I408-I585 HydrophobicContact CB-CD1 4.12Å; I408-I585 HydrophobicContact CG1-CD1 3.96Å; I408-I585 HydrophobicContact CG2-CD1 3.78Å; L411-I585 HydrophobicContact CB-CD1 4.5Å; L411-I585 HydrophobicContact CB-CG2 4.12Å; K412-I585 HydrophobicContact CG-CG2 4.44Å; I585-K588 PolarHBondContact O-N 3.15Å; I585-I589 HydrophobicContact CG1-CD1 4.25Å; I585-I589 VanDerWaalsContact O-CG1 3.28Å; I585-I589 WeakPolarHBondContact O-CG1 3.18Å; I585-I589 PolarHBondContact O-N 3.39Å; I585-L622 HydrophobicContact CD1-CD2 3.38Å; I585-L622 HydrophobicContact CD1-CG 4.24Å; I585-L622 HydrophobicContact CG1-CD2 3.73Å; I585-L622 HydrophobicContact CG1-CG 4.07Å
586	E	92.1	Very high	89.2	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-70.1	-36.9	-178.7	-63.3	-163.8	144.4	0	0	113	C415 K455 P551 I580 S581 T584 K588 I589 L590	C415-E586 HydrophobicContact CB-CG 4.12Å; K455-E586 WeakPolarHBondContact CD-OE2 3.42Å; K455-E586 WeakPolarHBondContact CE-OE2 3.48Å; K455-E586 IonicContact NZ-OE1 3.6Å; K455-E586 PolarHBondContact NZ-OE1 3.45Å; K455-E586 IonicContact NZ-OE2 3.23Å; K455-E586 PolarHBondContact NZ-OE2 3.34Å; P551-E586 HydrophobicContact CG-CB 4.13Å; P551-E586 HydrophobicContact CG-CG 4.42Å; I580-E586 HydrophobicContact CG2-CB 3.77Å; S581-E586 PolarHBondContact N-OE2 3.34Å; T584-E586 PolarHBondContact O-N 2.71Å; T584-E586 PolarHBondContact OG1-N 3.29Å; T584-E586 VanDerWaalsContact OG1-N 3.12Å; E586-K588 VanDerWaalsContact C-N 3.34Å; E586-I589 WeakPolarHBondContact O-CB 3.23Å; E586-I589 PolarHBondContact O-N 2.55Å; E586-L590 PolarHBondContact O-N 3.3Å
587	E	91.5	Very high	88	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.5	-41.2	172.1	-79.8	-155.2	-118.5	0	0	110.8	I580 T582 G583 T584 I589 L590 Q591 S631 D632 T633	I580-E587 HydrophobicContact CG2-CB 4.31Å; I580-E587 HydrophobicContact CG2-CG 3.56Å; T582-E587 WeakPolarHBondContact CA-OE1 3.47Å; T582-E587 WeakPolarHBondContact CG2-OE1 3.5Å; G583-E587 PolarHBondContact N-OE1 2.86Å; T584-E587 PolarHBondContact O-N 3.07Å; T584-E587 VanDerWaalsContact O-N 3.11Å; E587-I589 VanDerWaalsContact C-N 3.28Å; E587-I589 PolarHBondContact O-N 2.92Å; E587-L590 WeakPolarHBondContact O-CB 3.44Å; E587-L590 PolarHBondContact O-N 3.24Å; E587-L590 VanDerWaalsContact O-N 3.07Å; E587-Q591 WeakPolarHBondContact O-CG 3.47Å; E587-Q591 PolarHBondContact O-N 3.44Å; E587-S631 PolarHBondContact OE2-OG 3.39Å; E587-D632 PolarHBondContact OE1-N 3.27Å; E587-D632 PolarHBondContact OE2-N 3.44Å; E587-T633 WeakPolarHBondContact OE2-CB 3.16Å; E587-T633 PolarHBondContact OE2-N 3.26Å; E587-T633 PolarHBondContact OE2-OG1 3Å
588	K	88.8	Confident	86.5	Confident	10 Å²	10	21.8 Å²	21.8	4%	0.043	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-36.2	174.6	-53.2	-58.4	-176.4	-179.1	0	111.9	T584 I585 E586 R592 E621 D632	T584-K588 PolarHBondContact O-N 3.16Å; I585-K588 PolarHBondContact O-N 3.15Å; E586-K588 VanDerWaalsContact C-N 3.34Å; K588-R592 WeakPolarHBondContact O-CB 3.42Å; K588-R592 WeakPolarHBondContact O-CD 3.24Å; K588-R592 VanDerWaalsContact O-CG 3.23Å; K588-R592 WeakPolarHBondContact O-CG 3.29Å; K588-R592 PolarHBondContact O-N 3Å; K588-R592 VanDerWaalsContact O-N 3.12Å; K588-E621 WeakPolarHBondContact CE-O 3.32Å; K588-D632 VanDerWaalsContact CE-OD2 3.23Å; K588-D632 WeakPolarHBondContact CE-OD2 3.3Å; K588-D632 IonicContact NZ-OD1 3.28Å; K588-D632 PolarHBondContact NZ-OD1 3.45Å; K588-D632 VanDerWaalsContact NZ-OD1 3.12Å; K588-D632 IonicContact NZ-OD2 3.29Å; K588-D632 PolarHBondContact NZ-OD2 2.94Å
589	I	88.4	Confident	84.8	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-46	172.7	-68.7	164	0	0	0	110.1	K412 P551 D552 W553 I585 E586 E587 R592 Q593	K412-I589 HydrophobicContact CD-CD1 3.85Å; K412-I589 HydrophobicContact CG-CD1 4.3Å; P551-I589 HydrophobicContact CB-CG2 3.91Å; P551-I589 HydrophobicContact CG-CB 4.28Å; P551-I589 HydrophobicContact CG-CG2 4.01Å; D552-I589 WeakPolarHBondContact O-CG2 3.24Å; W553-I589 HydrophobicContact CD2-CG1 4.11Å; W553-I589 HydrophobicContact CE3-CG1 3.96Å; W553-I589 HydrophobicContact CE3-CG2 4.36Å; W553-I589 HydrophobicContact CH2-CD1 4.2Å; W553-I589 HydrophobicContact CH2-CG1 3.43Å; W553-I589 VanDerWaalsContact CH2-CG1 3.43Å; W553-I589 HydrophobicContact CZ2-CD1 3.87Å; W553-I589 HydrophobicContact CZ2-CG1 3.62Å; W553-I589 HydrophobicContact CZ3-CB 4.4Å; W553-I589 HydrophobicContact CZ3-CG1 3.61Å; I585-I589 HydrophobicContact CG1-CD1 4.25Å; I585-I589 VanDerWaalsContact O-CG1 3.28Å; I585-I589 WeakPolarHBondContact O-CG1 3.18Å; I585-I589 PolarHBondContact O-N 3.39Å; E586-I589 WeakPolarHBondContact O-CB 3.23Å; E586-I589 PolarHBondContact O-N 2.55Å; E587-I589 VanDerWaalsContact C-N 3.28Å; E587-I589 PolarHBondContact O-N 2.92Å; I589-R592 PolarHBondContact O-N 3.19Å; I589-Q593 HydrophobicContact CG2-CG 4.47Å; I589-Q593 WeakPolarHBondContact O-CG 3.49Å; I589-Q593 PolarHBondContact O-N 3.23Å
590	L	89.6	Confident	82.9	Confident	18 Å²	18	21.5 Å²	21.5	9%	0.094	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-48.6	178.2	176.8	69.7	0	0	0	112.2	V369 I580 E586 E587 R592 Q593 A594 T633	V369-L590 HydrophobicContact CG1-CD2 3.87Å; I580-L590 HydrophobicContact CD1-CB 3.76Å; I580-L590 HydrophobicContact CD1-CD1 4.06Å; I580-L590 HydrophobicContact CD1-CD2 3.21Å; I580-L590 HydrophobicContact CD1-CG 3.82Å; E586-L590 PolarHBondContact O-N 3.3Å; E587-L590 WeakPolarHBondContact O-CB 3.44Å; E587-L590 PolarHBondContact O-N 3.24Å; E587-L590 VanDerWaalsContact O-N 3.07Å; L590-R592 PolarHBondContact O-N 3.4Å; L590-Q593 WeakPolarHBondContact O-CA 3.38Å; L590-Q593 WeakPolarHBondContact O-CB 3.46Å; L590-Q593 PolarHBondContact O-N 2.86Å; L590-A594 PolarHBondContact O-N 3.25Å; L590-T633 HydrophobicContact CD2-CG2 4.34Å
591	Q	86.6	Confident	81.1	Confident	40 Å²	40	22.8 Å²	22.8	19%	0.187	12%	0.124	C	C	.	.	H	α-helix	trans	-53.7	-42.6	176.3	-71.9	163.1	11.5	0	0	110.6	E587 A594 H595 D632 T633	E587-Q591 WeakPolarHBondContact O-CG 3.47Å; E587-Q591 PolarHBondContact O-N 3.44Å; Q591-A594 WeakPolarHBondContact O-CB 3.47Å; Q591-A594 PolarHBondContact O-N 3.34Å; Q591-H595 WeakPolarHBondContact O-CB 3.45Å; Q591-H595 PolarHBondContact O-N 3.02Å; Q591-D632 PolarHBondContact NE2-O 2.76Å; Q591-D632 PolarHBondContact NE2-OD2 2.62Å; Q591-T633 HydrophobicContact CG-CG2 3.84Å; Q591-T633 VanDerWaalsContact NE2-CA 3.31Å; Q591-T633 PolarHBondContact NE2-OG1 3.39Å; Q591-T633 VanDerWaalsContact NE2-OG1 3.16Å
592	R	80.6	Confident	78.9	Confident	41 Å²	41	23.3 Å²	23.3	16%	0.155	13%	0.128	C	C	.	.	H	α-helix	trans	-70.9	-34.6	176.6	-73.1	171.3	174.1	-166.7	5.6	113.6	W553 K588 I589 L590 A594 K596 F614 Q618 L622	W553-R592 VanDerWaalsContact CZ3-NH1 3.27Å; K588-R592 WeakPolarHBondContact O-CB 3.42Å; K588-R592 WeakPolarHBondContact O-CD 3.24Å; K588-R592 VanDerWaalsContact O-CG 3.23Å; K588-R592 WeakPolarHBondContact O-CG 3.29Å; K588-R592 PolarHBondContact O-N 3Å; K588-R592 VanDerWaalsContact O-N 3.12Å; I589-R592 PolarHBondContact O-N 3.19Å; L590-R592 PolarHBondContact O-N 3.4Å; R592-A594 VanDerWaalsContact C-N 3.31Å; R592-K596 VanDerWaalsContact O-CB 3.29Å; R592-K596 WeakPolarHBondContact O-CB 3.41Å; R592-K596 VanDerWaalsContact O-CG 3.24Å; R592-K596 WeakPolarHBondContact O-CG 3.36Å; R592-K596 PolarHBondContact O-N 3.41Å; R592-F614 VanDerWaalsContact CZ-CE1 3.42Å; R592-Q618 PolarHBondContact NH2-O 3.13Å; R592-L622 VanDerWaalsContact NH1-CD1 3.27Å
593	Q	83.1	Confident	76.8	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-60.4	-45.6	170.3	-75.1	-176.6	-26.2	0	0	110.1	D552 P555 D558 I589 L590 K596 K597	D552-Q593 PolarHBondContact O-NE2 2.69Å; P555-Q593 HydrophobicContact CB-CB 4.08Å; P555-Q593 HydrophobicContact CB-CG 4.15Å; D558-Q593 PolarHBondContact OD2-NE2 3.2Å; I589-Q593 HydrophobicContact CG2-CG 4.47Å; I589-Q593 WeakPolarHBondContact O-CG 3.49Å; I589-Q593 PolarHBondContact O-N 3.23Å; L590-Q593 WeakPolarHBondContact O-CA 3.38Å; L590-Q593 WeakPolarHBondContact O-CB 3.46Å; L590-Q593 PolarHBondContact O-N 2.86Å; Q593-K596 PolarHBondContact O-N 3.27Å; Q593-K597 WeakPolarHBondContact O-CG 3.15Å; Q593-K597 PolarHBondContact O-N 2.9Å
594	A	81.8	Confident	74.8	Confident	54 Å²	54	24.7 Å²	24.7	45%	0.446	14%	0.136	S	C	.	.	H	α-helix	trans	-61.4	-48.5	177.8	0	0	0	0	0	111.5	L590 Q591 R592 K596 K597 A598	L590-A594 PolarHBondContact O-N 3.25Å; Q591-A594 WeakPolarHBondContact O-CB 3.47Å; Q591-A594 PolarHBondContact O-N 3.34Å; R592-A594 VanDerWaalsContact C-N 3.31Å; A594-K596 VanDerWaalsContact C-N 3.35Å; A594-K596 PolarHBondContact O-N 3.29Å; A594-K597 WeakPolarHBondContact O-CB 3.36Å; A594-K597 PolarHBondContact O-N 3.48Å; A594-K597 VanDerWaalsContact O-N 3.12Å; A594-A598 PolarHBondContact O-N 2.91Å
595	H	73.9	Confident	72.4	Confident	76 Å²	76	28.2 Å²	28.2	35%	0.352	16%	0.155	S	C	.	.	H	α-helix	trans	-57.8	-43	174.7	-174.3	-93	0	0	0	112.7	Q591 A598 L599 V610 E611	Q591-H595 WeakPolarHBondContact O-CB 3.45Å; Q591-H595 PolarHBondContact O-N 3.02Å; H595-A598 PolarHBondContact O-N 2.66Å; H595-L599 WeakPolarHBondContact O-CB 3.39Å; H595-L599 WeakPolarHBondContact O-CG 3.45Å; H595-L599 PolarHBondContact O-N 3.32Å; H595-V610 WeakPolarHBondContact CD2-CG1 3.42Å; H595-V610 WeakPolarHBondContact CE1-CG1 3.38Å; H595-V610 VanDerWaalsContact ND1-CG1 3.35Å; H595-V610 WeakPolarHBondContact ND1-CG1 3.23Å; H595-V610 WeakPolarHBondContact NE2-CG1 3.48Å; H595-E611 PolarHBondContact CE1-O 3.48Å
596	K	70.8	Confident	70.2	Confident	75 Å²	75	33.9 Å²	33.9	33%	0.326	18%	0.181	S	C	.	.	H	α-helix	trans	-65.8	-36.6	174.9	-77.9	179.3	-176.5	-178.1	0	113	W553 P555 R592 Q593 A594 S600	W553-K596 PolarHBondContact O-NZ 3.29Å; P555-K596 HydrophobicContact CG-CB 4.26Å; R592-K596 VanDerWaalsContact O-CB 3.29Å; R592-K596 WeakPolarHBondContact O-CB 3.41Å; R592-K596 VanDerWaalsContact O-CG 3.24Å; R592-K596 WeakPolarHBondContact O-CG 3.36Å; R592-K596 PolarHBondContact O-N 3.41Å; Q593-K596 PolarHBondContact O-N 3.27Å; A594-K596 VanDerWaalsContact C-N 3.35Å; A594-K596 PolarHBondContact O-N 3.29Å; K596-S600 WeakPolarHBondContact O-CB 3.42Å; K596-S600 PolarHBondContact O-N 2.92Å; K596-S600 VanDerWaalsContact O-N 3.16Å
597	K	70.2	Confident	67.4	Low	66 Å²	66	39.7 Å²	39.7	29%	0.287	21%	0.209	S	C	.	.	H	α-helix	trans	-67.6	-44.9	175.3	-73.4	-176	-170.3	-160	0	110.8	P555 E559 Q593 A594 S600 S601	P555-K597 HydrophobicContact CB-CD 4.27Å; P555-K597 VanDerWaalsContact CB-CE 3.42Å; P555-K597 HydrophobicContact CB-CG 3.9Å; P555-K597 HydrophobicContact CG-CG 4.07Å; E559-K597 WeakPolarHBondContact OE1-CE 3.4Å; E559-K597 IonicContact OE1-NZ 3.16Å; E559-K597 PolarHBondContact OE1-NZ 2.69Å; Q593-K597 WeakPolarHBondContact O-CG 3.15Å; Q593-K597 PolarHBondContact O-N 2.9Å; A594-K597 WeakPolarHBondContact O-CB 3.36Å; A594-K597 PolarHBondContact O-N 3.48Å; A594-K597 VanDerWaalsContact O-N 3.12Å; K597-S600 PolarHBondContact O-N 2.87Å; K597-S601 PolarHBondContact O-N 2.91Å
598	A	65.1	Low	64.6	Low	41 Å²	41	47 Å²	47	34%	0.339	24%	0.243	S	C	.	.	H	α-helix	trans	-56.3	-54.4	175	0	0	0	0	0	110.7	A594 H595 S600 S601 C602 V610	A594-A598 PolarHBondContact O-N 2.91Å; H595-A598 PolarHBondContact O-N 2.66Å; A598-S600 PolarHBondContact O-N 3.35Å; A598-S600 VanDerWaalsContact O-N 3.1Å; A598-S601 WeakPolarHBondContact O-CA 3.35Å; A598-S601 VanDerWaalsContact O-CB 3.31Å; A598-S601 WeakPolarHBondContact O-CB 3.3Å; A598-S601 PolarHBondContact O-N 3.38Å; A598-C602 PolarHBondContact O-N 3.4Å; A598-C602 PolarHBondContact O-SG 2.93Å; A598-V610 HydrophobicContact CB-CG2 4.22Å
599	L	59.6	Low	62.2	Low	8 Å²	8	52.6 Å²	52.6	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-46.3	-44.7	173.5	-87.1	164.1	0	0	0	114	H595 C602 V603 V610	H595-L599 WeakPolarHBondContact O-CB 3.39Å; H595-L599 WeakPolarHBondContact O-CG 3.45Å; H595-L599 PolarHBondContact O-N 3.32Å; L599-C602 WeakPolarHBondContact O-CB 3.28Å; L599-C602 PolarHBondContact O-N 3.29Å; L599-V603 WeakPolarHBondContact O-CG2 3.36Å; L599-V603 PolarHBondContact O-N 3.42Å; L599-V610 HydrophobicContact CD1-CB 4.34Å; L599-V610 HydrophobicContact CD1-CG1 3.82Å; L599-V610 HydrophobicContact CD2-CB 3.47Å; L599-V610 VanDerWaalsContact CD2-CB 3.47Å; L599-V610 HydrophobicContact CD2-CG1 3.86Å; L599-V610 HydrophobicContact CD2-CG2 4.48Å; L599-V610 VanDerWaalsContact CD2-O 3.22Å; L599-V610 WeakPolarHBondContact CD2-O 3.49Å; L599-V610 HydrophobicContact CG-CB 3.49Å; L599-V610 VanDerWaalsContact CG-CB 3.49Å; L599-V610 HydrophobicContact CG-CG1 3.48Å; L599-V610 VanDerWaalsContact CG-CG1 3.48Å; L599-V610 HydrophobicContact CG-CG2 4.2Å
600	S	58.1	Low	59.9	Low	7 Å²	7	54.4 Å²	54.4	5%	0.049	28%	0.284	C	S	.	.	H	α-helix	trans	-81.1	-21.9	-174.6	-164.4	0	0	0	0	113.5	P285 R352 K596 K597 A598	P285-S600 WeakPolarHBondContact CB-OG 3.46Å; P285-S600 WeakPolarHBondContact CG-OG 3.41Å; R352-S600 PolarHBondContact NH1-O 2.74Å; R352-S600 VanDerWaalsContact NH1-O 3.12Å; K596-S600 WeakPolarHBondContact O-CB 3.42Å; K596-S600 PolarHBondContact O-N 2.92Å; K596-S600 VanDerWaalsContact O-N 3.16Å; K597-S600 PolarHBondContact O-N 2.87Å; A598-S600 PolarHBondContact O-N 3.35Å; A598-S600 VanDerWaalsContact O-N 3.1Å
601	S	56.8	Low	57.6	Low	30 Å²	30	58.6 Å²	58.6	21%	0.21	30%	0.303	C	S	.	.	H	α-helix	trans	-69.1	-54.4	164.1	-163	0	0	0	0	108.4	K597 A598 V603 V604 D605	K597-S601 PolarHBondContact O-N 2.91Å; A598-S601 WeakPolarHBondContact O-CA 3.35Å; A598-S601 VanDerWaalsContact O-CB 3.31Å; A598-S601 WeakPolarHBondContact O-CB 3.3Å; A598-S601 PolarHBondContact O-N 3.38Å; S601-V603 VanDerWaalsContact C-N 3.33Å; S601-V603 PolarHBondContact O-N 3.24Å; S601-V603 VanDerWaalsContact O-N 3.11Å; S601-V604 PolarHBondContact O-N 3.17Å; S601-D605 WeakPolarHBondContact O-CA 3.48Å; S601-D605 WeakPolarHBondContact O-CB 3.36Å; S601-D605 PolarHBondContact O-N 2.84Å; S601-D605 PolarHBondContact OG-OD2 3.49Å
602	C	49.3	Very low	55.6	Low	11 Å²	11	59.7 Å²	59.7	7%	0.074	31%	0.305	C	S	.	.	H	α-helix	trans	-49.4	-42.3	-179	-65.2	0	0	0	0	115.3	A598 L599 V604 E606 E607 Q608	A598-C602 PolarHBondContact O-N 3.4Å; A598-C602 PolarHBondContact O-SG 2.93Å; L599-C602 WeakPolarHBondContact O-CB 3.28Å; L599-C602 PolarHBondContact O-N 3.29Å; C602-V604 VanDerWaalsContact C-N 3.32Å; C602-V604 PolarHBondContact O-N 3.1Å; C602-E606 PolarHBondContact O-N 3.02Å; C602-E607 WeakPolarHBondContact CA-O 2.95Å; C602-E607 WeakPolarHBondContact CB-O 3.28Å; C602-E607 VanDerWaalsContact SG-C 3.59Å; C602-E607 PolarHBondContact SG-O 3.44Å; C602-Q608 PolarHBondContact SG-O 3.41Å
603	V	50.4	Low	54	Low	21 Å²	21	65.2 Å²	65.2	13%	0.127	33%	0.333	C	S	.	.	H	α-helix	trans	-73	-23.8	-179.1	174.2	0	0	0	0	113.1	I343 L599 S601	I343-V603 VanDerWaalsContact CD1-O 3.29Å; I343-V603 WeakPolarHBondContact CD1-O 2.95Å; L599-V603 WeakPolarHBondContact O-CG2 3.36Å; L599-V603 PolarHBondContact O-N 3.42Å; S601-V603 VanDerWaalsContact C-N 3.33Å; S601-V603 PolarHBondContact O-N 3.24Å; S601-V603 VanDerWaalsContact O-N 3.11Å
604	V	48.7	Very low	52.5	Low	20 Å²	20	70.2 Å²	70.2	12%	0.121	35%	0.354	C	S	.	.	H	α-helix	trans	-110.4	-29.6	-173.2	-178.2	0	0	0	0	112.2	S601 C602	S601-V604 PolarHBondContact O-N 3.17Å; C602-V604 VanDerWaalsContact C-N 3.32Å; C602-V604 PolarHBondContact O-N 3.1Å
605	D	44.9	Very low	51.5	Low	73 Å²	73	70 Å²	70	39%	0.39	35%	0.35	S	S	.	.	H	α-helix	trans	-115.9	17.1	-170.5	-56.6	-53	0	0	0	112.4	R352 S601 E607	R352-D605 IonicContact CZ-OD2 3.62Å; R352-D605 IonicContact NH1-OD2 3.02Å; R352-D605 PolarHBondContact NH1-OD2 3.4Å; S601-D605 WeakPolarHBondContact O-CA 3.48Å; S601-D605 WeakPolarHBondContact O-CB 3.36Å; S601-D605 PolarHBondContact O-N 2.84Å; S601-D605 PolarHBondContact OG-OD2 3.49Å; D605-E607 VanDerWaalsContact C-N 3.31Å; D605-E607 PolarHBondContact O-N 3.02Å
606	E	43.3	Very low	51.1	Low	119 Å²	119	71.2 Å²	71.2	56%	0.556	36%	0.359	S	S	*	.			trans	59.4	24.4	174.3	-60.2	-171.6	169.9	0	0	116.5	I343 C602	I343-E606 HydrophobicContact CD1-CG 4.18Å; C602-E606 PolarHBondContact O-N 3.02Å
607	E	33.8	Very low	51.1	Low	123 Å²	123	69.6 Å²	69.6	58%	0.575	36%	0.363	S	S	*	.			trans	-92.3	153.6	177	-67.2	-178.6	155.4	0	0	113.3	C602 D605	C602-E607 WeakPolarHBondContact CA-O 2.95Å; C602-E607 WeakPolarHBondContact CB-O 3.28Å; C602-E607 VanDerWaalsContact SG-C 3.59Å; C602-E607 PolarHBondContact SG-O 3.44Å; D605-E607 VanDerWaalsContact C-N 3.31Å; D605-E607 PolarHBondContact O-N 3.02Å
608	Q	33.1	Very low	51	Low	154 Å²	154	69.3 Å²	69.3	72%	0.72	36%	0.363	S	S	*	.			trans	-80.7	150.9	-168.3	-81.5	179	-14.7	0	0	116	C602	C602-Q608 PolarHBondContact SG-O 3.41Å
609	D	38	Very low	51.2	Low	127 Å²	127	68.3 Å²	68.3	68%	0.679	35%	0.351	S	S	*	.			trans	39.5	112.5	154.4	-71.7	-26.4	0	0	0	121.8
610	V	39.6	Very low	52	Low	37 Å²	37	74.6 Å²	74.6	22%	0.224	37%	0.374	C	S	.	.			trans	-154.9	138.9	158.8	-176.4	0	0	0	0	110	H595 A598 L599	H595-V610 WeakPolarHBondContact CD2-CG1 3.42Å; H595-V610 WeakPolarHBondContact CE1-CG1 3.38Å; H595-V610 VanDerWaalsContact ND1-CG1 3.35Å; H595-V610 WeakPolarHBondContact ND1-CG1 3.23Å; H595-V610 WeakPolarHBondContact NE2-CG1 3.48Å; A598-V610 HydrophobicContact CB-CG2 4.22Å; L599-V610 HydrophobicContact CD1-CB 4.34Å; L599-V610 HydrophobicContact CD1-CG1 3.82Å; L599-V610 HydrophobicContact CD2-CB 3.47Å; L599-V610 VanDerWaalsContact CD2-CB 3.47Å; L599-V610 HydrophobicContact CD2-CG1 3.86Å; L599-V610 HydrophobicContact CD2-CG2 4.48Å; L599-V610 VanDerWaalsContact CD2-O 3.22Å; L599-V610 WeakPolarHBondContact CD2-O 3.49Å; L599-V610 HydrophobicContact CG-CB 3.49Å; L599-V610 VanDerWaalsContact CG-CB 3.49Å; L599-V610 HydrophobicContact CG-CG1 3.48Å; L599-V610 VanDerWaalsContact CG-CG1 3.48Å; L599-V610 HydrophobicContact CG-CG2 4.2Å
611	E	41.8	Very low	53.1	Low	107 Å²	107	77.8 Å²	77.8	50%	0.5	39%	0.389	S	S	.	.			trans	-73.3	152.2	-177.7	-74.2	-176.4	158.3	0	0	114	H595	H595-E611 PolarHBondContact CE1-O 3.48Å
612	R	44.5	Very low	54.3	Low	63 Å²	63	76.5 Å²	76.5	24%	0.238	38%	0.379	C	S	.	.			trans	-101.5	-16.3	-168.1	-72.8	-175.8	176.4	-175.5	0.5	116.6
613	H	46.6	Very low	56	Low	157 Å²	157	76.5 Å²	76.5	73%	0.727	38%	0.378	S	S	*	.	S	Bend	trans	-130.5	151	-171.8	-67.7	-63.4	0	0	0	113.4	S615 Q618	H613-S615 PolarHBondContact O-N 3.19Å; H613-Q618 PolarHBondContact O-OE1 3.04Å
614	F	51.8	Low	57.8	Low	105 Å²	105	78.5 Å²	78.5	46%	0.461	39%	0.39	S	S	.	.			trans	-59.4	116.3	174	-73.5	-102	0	0	0	109.8	R592 L619	R592-F614 VanDerWaalsContact CZ-CE1 3.42Å; F614-L619 HydrophobicContact CB-CD1 4.16Å; F614-L619 HydrophobicContact CB-CD2 4.49Å; F614-L619 HydrophobicContact CB-CG 4.03Å; F614-L619 HydrophobicContact CD1-CD2 3.37Å; F614-L619 HydrophobicContact CD1-CG 3.67Å; F614-L619 HydrophobicContact CE1-CD2 3.63Å; F614-L619 HydrophobicContact CE1-CG 4.42Å; F614-L619 HydrophobicContact CG-CD2 4.18Å; F614-L619 HydrophobicContact CG-CG 4.24Å
615	S	62.3	Low	59.8	Low	51 Å²	51	79.2 Å²	79.2	36%	0.357	39%	0.394	S	S	.	.			trans	-72.1	151.5	159.9	75.7	0	0	0	0	109.5	H613 G617 Q618 L619	H613-S615 PolarHBondContact O-N 3.19Å; S615-G617 PolarHBondContact O-N 3.15Å; S615-Q618 VanDerWaalsContact N-OE1 3.09Å; S615-Q618 PolarHBondContact O-N 3.35Å; S615-Q618 VanDerWaalsContact OG-CG 3.25Å; S615-Q618 WeakPolarHBondContact OG-CG 3.23Å; S615-Q618 PolarHBondContact OG-N 2.68Å; S615-L619 PolarHBondContact O-N 3.48Å
616	L	64.8	Low	62	Low	101 Å²	101	78.8 Å²	78.8	53%	0.529	39%	0.391	S	S	.	.	H	α-helix	trans	-56.3	-32	172.7	-73.8	167.1	0	0	0	111.4	L619 R620	L616-L619 PolarHBondContact O-N 3.18Å; L616-R620 WeakPolarHBondContact O-CG 3.21Å; L616-R620 PolarHBondContact O-N 3.34Å; L616-R620 VanDerWaalsContact O-N 3.11Å
617	G	69.7	Low	64.2	Low	40 Å²	40	78 Å²	78	41%	0.412	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-49.4	171.9	0	0	0	0	0	112.5	S615 L619 R620 E621	S615-G617 PolarHBondContact O-N 3.15Å; G617-L619 PolarHBondContact O-N 2.96Å; G617-R620 WeakPolarHBondContact O-CB 3.45Å; G617-R620 PolarHBondContact O-N 3.12Å; G617-E621 PolarHBondContact O-N 3.41Å
618	Q	68.7	Low	66.7	Low	61 Å²	61	81.2 Å²	81.2	29%	0.285	40%	0.403	S	S	.	.	H	α-helix	trans	-63.5	-28.2	177.6	-73.6	167.6	-2	0	0	113.3	R592 H613 S615	R592-Q618 PolarHBondContact NH2-O 3.13Å; H613-Q618 PolarHBondContact O-OE1 3.04Å; S615-Q618 VanDerWaalsContact N-OE1 3.09Å; S615-Q618 PolarHBondContact O-N 3.35Å; S615-Q618 VanDerWaalsContact OG-CG 3.25Å; S615-Q618 WeakPolarHBondContact OG-CG 3.23Å; S615-Q618 PolarHBondContact OG-N 2.68Å
619	L	68.6	Low	69.4	Low	20 Å²	20	74.3 Å²	74.3	11%	0.105	37%	0.371	C	S	.	.	H	α-helix	trans	-72	-38.5	172	-79.8	169.2	0	0	0	111.9	L395 F614 S615 L616 G617 L622 F623	L395-L619 HydrophobicContact CD1-CB 4.4Å; F614-L619 HydrophobicContact CB-CD1 4.16Å; F614-L619 HydrophobicContact CB-CD2 4.49Å; F614-L619 HydrophobicContact CB-CG 4.03Å; F614-L619 HydrophobicContact CD1-CD2 3.37Å; F614-L619 HydrophobicContact CD1-CG 3.67Å; F614-L619 HydrophobicContact CE1-CD2 3.63Å; F614-L619 HydrophobicContact CE1-CG 4.42Å; F614-L619 HydrophobicContact CG-CD2 4.18Å; F614-L619 HydrophobicContact CG-CG 4.24Å; S615-L619 PolarHBondContact O-N 3.48Å; L616-L619 PolarHBondContact O-N 3.18Å; G617-L619 PolarHBondContact O-N 2.96Å; L619-L622 VanDerWaalsContact O-CB 3.27Å; L619-L622 WeakPolarHBondContact O-CB 3.41Å; L619-L622 PolarHBondContact O-N 2.9Å; L619-F623 WeakPolarHBondContact O-CD2 3.24Å
620	R	77.3	Confident	71.7	Confident	139 Å²	139	71.9 Å²	71.9	53%	0.525	37%	0.368	S	S	.	.	H	α-helix	trans	-65.7	-42.2	174.3	-71.8	178.1	180	172.5	1.8	111.8	T392 L616 G617 L622 F623	T392-R620 HydrophobicContact CG2-CB 4.14Å; T392-R620 HydrophobicContact CG2-CG 3.91Å; L616-R620 WeakPolarHBondContact O-CG 3.21Å; L616-R620 PolarHBondContact O-N 3.34Å; L616-R620 VanDerWaalsContact O-N 3.11Å; G617-R620 WeakPolarHBondContact O-CB 3.45Å; G617-R620 PolarHBondContact O-N 3.12Å; R620-L622 PolarHBondContact O-N 3.47Å; R620-L622 VanDerWaalsContact O-N 3.11Å; R620-F623 PolarHBondContact O-N 3.15Å; R620-F623 VanDerWaalsContact O-N 3.1Å
621	E	82	Confident	74.1	Confident	75 Å²	75	71 Å²	71	35%	0.35	36%	0.364	S	S	.	.	H	α-helix	trans	-57.5	-27.7	177	-71	-162.9	163	0	0	113.4	K588 G617 F623 T624 K636	K588-E621 WeakPolarHBondContact CE-O 3.32Å; G617-E621 PolarHBondContact O-N 3.41Å; E621-F623 PolarHBondContact O-N 2.88Å; E621-T624 PolarHBondContact O-N 3.28Å; E621-T624 PolarHBondContact O-OG1 3.47Å; E621-K636 IonicContact OE1-NZ 2.79Å; E621-K636 PolarHBondContact OE1-NZ 3.08Å; E621-K636 IonicContact OE2-NZ 3.12Å; E621-K636 PolarHBondContact OE2-NZ 3.36Å
622	L	81.3	Confident	76.3	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.01	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.8	-179.8	-166.9	151.1	0	0	0	113	I408 W553 I585 R592 L619 R620	I408-L622 HydrophobicContact CD1-CD1 4.43Å; I408-L622 HydrophobicContact CD1-CD2 3.84Å; I408-L622 HydrophobicContact CG1-CD2 3.69Å; W553-L622 HydrophobicContact CH2-CD1 3.56Å; W553-L622 HydrophobicContact CH2-CG 4.37Å; W553-L622 HydrophobicContact CZ2-CD1 4.28Å; W553-L622 HydrophobicContact CZ3-CD1 4.46Å; I585-L622 HydrophobicContact CD1-CD2 3.38Å; I585-L622 HydrophobicContact CD1-CG 4.24Å; I585-L622 HydrophobicContact CG1-CD2 3.73Å; I585-L622 HydrophobicContact CG1-CG 4.07Å; R592-L622 VanDerWaalsContact NH1-CD1 3.27Å; L619-L622 VanDerWaalsContact O-CB 3.27Å; L619-L622 WeakPolarHBondContact O-CB 3.41Å; L619-L622 PolarHBondContact O-N 2.9Å; R620-L622 PolarHBondContact O-N 3.47Å; R620-L622 VanDerWaalsContact O-N 3.11Å
623	F	85.9	Confident	78.3	Confident	11 Å²	11	65.5 Å²	65.5	5%	0.048	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	20.8	-179	-60.5	-76.3	0	0	0	112.4	L386 P391 T392 L395 I408 L411 L619 R620 E621	L386-F623 VanDerWaalsContact CD1-O 3.24Å; L386-F623 WeakPolarHBondContact CD1-O 3.37Å; L386-F623 HydrophobicContact CD2-CB 3.96Å; L386-F623 HydrophobicContact CD2-CD1 4.4Å; L386-F623 WeakPolarHBondContact CD2-O 3.43Å; P391-F623 HydrophobicContact CB-CD1 3.8Å; P391-F623 HydrophobicContact CB-CD2 4.3Å; P391-F623 HydrophobicContact CB-CE1 3.74Å; P391-F623 HydrophobicContact CB-CE2 4.26Å; P391-F623 HydrophobicContact CB-CG 4.07Å; P391-F623 HydrophobicContact CB-CZ 3.97Å; P391-F623 HydrophobicContact CG-CB 4.07Å; P391-F623 HydrophobicContact CG-CD1 3.48Å; P391-F623 VanDerWaalsContact CG-CD1 3.48Å; P391-F623 HydrophobicContact CG-CD2 4.36Å; P391-F623 HydrophobicContact CG-CE1 3.94Å; P391-F623 HydrophobicContact CG-CG 3.71Å; T392-F623 HydrophobicContact CG2-CB 4.23Å; T392-F623 HydrophobicContact CG2-CD2 4.38Å; L395-F623 HydrophobicContact CD1-CD2 4.08Å; L395-F623 HydrophobicContact CD1-CE2 3.64Å; I408-F623 HydrophobicContact CD1-CZ 4.07Å; I408-F623 HydrophobicContact CG1-CE1 3.79Å; I408-F623 HydrophobicContact CG1-CZ 3.66Å; L411-F623 HydrophobicContact CD1-CD1 3.77Å; L411-F623 HydrophobicContact CD1-CE1 4.17Å; L619-F623 WeakPolarHBondContact O-CD2 3.24Å; R620-F623 PolarHBondContact O-N 3.15Å; R620-F623 VanDerWaalsContact O-N 3.1Å; E621-F623 PolarHBondContact O-N 2.88Å
624	T	87.1	Confident	80.2	Confident	63 Å²	63	65.4 Å²	65.4	39%	0.387	34%	0.344	S	S	.	.			trans	-92.6	143.8	173.4	59.3	0	0	0	0	110.7	E621	E621-T624 PolarHBondContact O-N 3.28Å; E621-T624 PolarHBondContact O-OG1 3.47Å
625	L	90.9	Very high	81.8	Confident	36 Å²	36	65.4 Å²	65.4	19%	0.188	35%	0.349	C	S	.	.			trans	-115.6	124.3	171.1	179	67.7	0	0	0	108.1	L374 I379 Y382 K383 L386 G583 T584 E627	L374-L625 HydrophobicContact CD1-CD1 3.88Å; I379-L625 HydrophobicContact CG2-CD2 4.35Å; Y382-L625 HydrophobicContact CD1-CB 4.08Å; Y382-L625 HydrophobicContact CD1-CD1 4.31Å; Y382-L625 HydrophobicContact CD1-CD2 4.06Å; Y382-L625 HydrophobicContact CD1-CG 4.39Å; Y382-L625 HydrophobicContact CE1-CB 4.13Å; Y382-L625 HydrophobicContact CE1-CD1 4.45Å; Y382-L625 HydrophobicContact CG-CD1 4.4Å; Y382-L625 HydrophobicContact CG-CD2 4.22Å; K383-L625 HydrophobicContact CG-CD2 4.08Å; L386-L625 HydrophobicContact CD1-CB 4.39Å; G583-L625 WeakPolarHBondContact O-CA 3.47Å; T584-L625 HydrophobicContact CG2-CD1 4.05Å; L625-E627 HydrophobicContact CD2-CG 4.38Å; L625-E627 HydrophobicContact CG-CG 4.39Å
626	N	91.1	Very high	82.1	Confident	64 Å²	64	70 Å²	70	34%	0.342	36%	0.362	S	S	.	.			trans	-112.8	117.2	173.2	-171.1	-9.4	0	0	0	109.6	G583 E628 T629	G583-N626 WeakPolarHBondContact CA-O 3.48Å; G583-N626 PolarHBondContact O-N 2.91Å; N626-E628 PolarHBondContact OD1-N 3.2Å; N626-T629 HydrophobicContact CB-CG2 3.74Å; N626-T629 VanDerWaalsContact CG-CG2 3.48Å
627	E	89.7	Confident	82.9	Confident	103 Å²	103	68.5 Å²	68.5	48%	0.481	35%	0.354	S	S	.	.	S	Bend	trans	-90.7	-24.3	-174.7	-70.8	168.2	-108.5	0	0	113.5	I379 K383 L625	I379-E627 HydrophobicContact CG2-CG 4.31Å; I379-E627 WeakPolarHBondContact CG2-OE2 3.47Å; K383-E627 WeakPolarHBondContact CE-OE1 3.3Å; K383-E627 WeakPolarHBondContact CE-OE2 3.36Å; K383-E627 IonicContact NZ-OE1 2.69Å; K383-E627 PolarHBondContact NZ-OE1 3.25Å; K383-E627 IonicContact NZ-OE2 2.76Å; K383-E627 PolarHBondContact NZ-OE2 3.34Å; L625-E627 HydrophobicContact CD2-CG 4.38Å; L625-E627 HydrophobicContact CG-CG 4.39Å
628	E	87	Confident	83.6	Confident	190 Å²	190	70 Å²	70	89%	0.888	35%	0.351	S	S	*	.	S	Bend	trans	-93.9	-20.1	-169.8	-62.6	-173.6	171.4	0	0	112.8	N626	N626-E628 PolarHBondContact OD1-N 3.2Å
629	T	88.6	Confident	84.5	Confident	8 Å²	8	70.5 Å²	70.5	5%	0.049	36%	0.355	C	S	.	.			trans	-71	142.6	179	-179.1	0	0	0	0	112.4	T582 N626 S631 D632 D635	T582-T629 HydrophobicContact CG2-CG2 4.22Å; T582-T629 VanDerWaalsContact CG2-O 3.24Å; T582-T629 WeakPolarHBondContact CG2-O 3.48Å; N626-T629 HydrophobicContact CB-CG2 3.74Å; N626-T629 VanDerWaalsContact CG-CG2 3.48Å; T629-S631 PolarHBondContact OG1-N 3.05Å; T629-S631 PolarHBondContact OG1-O 3.43Å; T629-D632 HydrophobicContact CG2-CB 4.18Å; T629-D632 PolarHBondContact OG1-N 3.05Å; T629-D635 WeakPolarHBondContact CB-OD2 3.42Å; T629-D635 PolarHBondContact OG1-OD2 3.1Å
630	A	87.2	Confident	85.4	Confident	76 Å²	76	73.5 Å²	73.5	63%	0.628	37%	0.369	S	S	*	.	S	Bend	trans	-79.4	-30.7	167.6	0	0	0	0	0	112	T582	T582-A630 VanDerWaalsContact CG2-O 3.27Å; T582-A630 WeakPolarHBondContact CG2-O 3.35Å
631	S	89.9	Confident	85.9	Confident	19 Å²	19	69.4 Å²	69.4	13%	0.133	36%	0.36	C	S	.	.			trans	-164	116.4	169.7	175.6	0	0	0	0	109	E587 T629 T633 H634 D635	E587-S631 PolarHBondContact OE2-OG 3.39Å; T629-S631 PolarHBondContact OG1-N 3.05Å; T629-S631 PolarHBondContact OG1-O 3.43Å; S631-T633 PolarHBondContact O-N 2.96Å; S631-T633 PolarHBondContact OG-N 3.02Å; S631-H634 PolarHBondContact O-N 2.87Å; S631-H634 PolarHBondContact OG-N 3.38Å; S631-D635 PolarHBondContact O-N 3.03Å; S631-D635 VanDerWaalsContact O-N 3.11Å
632	D	87.3	Confident	86.2	Confident	13 Å²	13	69 Å²	69	7%	0.07	36%	0.36	C	S	.	.	H	α-helix	trans	-62.4	-25.7	175.6	176.5	85.2	0	0	0	111.8	E587 K588 Q591 T629 K636	E587-D632 PolarHBondContact OE1-N 3.27Å; E587-D632 PolarHBondContact OE2-N 3.44Å; K588-D632 VanDerWaalsContact CE-OD2 3.23Å; K588-D632 WeakPolarHBondContact CE-OD2 3.3Å; K588-D632 IonicContact NZ-OD1 3.28Å; K588-D632 PolarHBondContact NZ-OD1 3.45Å; K588-D632 VanDerWaalsContact NZ-OD1 3.12Å; K588-D632 IonicContact NZ-OD2 3.29Å; K588-D632 PolarHBondContact NZ-OD2 2.94Å; Q591-D632 PolarHBondContact NE2-O 2.76Å; Q591-D632 PolarHBondContact NE2-OD2 2.62Å; T629-D632 HydrophobicContact CG2-CB 4.18Å; T629-D632 PolarHBondContact OG1-N 3.05Å; D632-K636 WeakPolarHBondContact O-CG 3.21Å; D632-K636 PolarHBondContact O-N 2.72Å
633	T	86.3	Confident	86.5	Confident	42 Å²	42	73.8 Å²	73.8	26%	0.258	39%	0.385	S	S	.	.	H	α-helix	trans	-74.5	-24.5	174.5	-49.8	0	0	0	0	113.4	E587 L590 Q591 S631	E587-T633 WeakPolarHBondContact OE2-CB 3.16Å; E587-T633 PolarHBondContact OE2-N 3.26Å; E587-T633 PolarHBondContact OE2-OG1 3Å; L590-T633 HydrophobicContact CD2-CG2 4.34Å; Q591-T633 HydrophobicContact CG-CG2 3.84Å; Q591-T633 VanDerWaalsContact NE2-CA 3.31Å; Q591-T633 PolarHBondContact NE2-OG1 3.39Å; Q591-T633 VanDerWaalsContact NE2-OG1 3.16Å; S631-T633 PolarHBondContact O-N 2.96Å; S631-T633 PolarHBondContact OG-N 3.02Å
634	H	86.9	Confident	86.6	Confident	155 Å²	155	78.6 Å²	78.6	72%	0.718	41%	0.411	S	S	*	.	H	α-helix	trans	-86.7	-34.6	175.1	177.1	-82.6	0	0	0	111.5	S631 K636	S631-H634 PolarHBondContact O-N 2.87Å; S631-H634 PolarHBondContact OG-N 3.38Å; H634-K636 VanDerWaalsContact C-N 3.28Å; H634-K636 PolarHBondContact O-N 2.69Å
635	D	84.6	Confident	86.5	Confident	104 Å²	104	79.9 Å²	79.9	56%	0.556	41%	0.413	S	S	*	.	H	α-helix	trans	-72.7	-22.5	-178.7	-64.2	-16.1	0	0	0	112.9	T629 S631	T629-D635 WeakPolarHBondContact CB-OD2 3.42Å; T629-D635 PolarHBondContact OG1-OD2 3.1Å; S631-D635 PolarHBondContact O-N 3.03Å; S631-D635 VanDerWaalsContact O-N 3.11Å
636	K	68.7	Low	86.1	Confident	149 Å²	149	83.9 Å²	83.9	65%	0.648	43%	0.434	S	S	*	.			trans	-101	0	174.9	-69.5	-173	172	-144	0	110.9	E621 D632 H634	E621-K636 IonicContact OE1-NZ 2.79Å; E621-K636 PolarHBondContact OE1-NZ 3.08Å; E621-K636 IonicContact OE2-NZ 3.12Å; E621-K636 PolarHBondContact OE2-NZ 3.36Å; D632-K636 WeakPolarHBondContact O-CG 3.21Å; D632-K636 PolarHBondContact O-N 2.72Å; H634-K636 VanDerWaalsContact C-N 3.28Å; H634-K636 PolarHBondContact O-N 2.69Å

Retrieved 636 of 636 residues in 186.1 ms (Link to these results)

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