A0A096NS86_PAPAN Loading...

Hypermethylated in cancer 2 protein

Transcriptional repressor.

AlphaFold DB , UniProt , Accession A0A096NS86, Species PAPAN (Papio anubis, Olive baboon), Gene HIC2, Length 615 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	33.8	Very low	245 Å²	245	144 Å²	144	100%	1.207	79%	0.785	S	S	*	*				0	139.4	0	-60.8	172.3	-178.4	0	0	106.8
2	V	30.8	Very low	33.8	Very low	132 Å²	132	139 Å²	139	80%	0.8	78%	0.777	S	S	*	*			cis	-120.4	146.8	10	172.5	0	0	0	0	111.7
3	S	34.6	Very low	33.5	Very low	100 Å²	100	142.3 Å²	142.3	70%	0.699	77%	0.771	S	S	*	*			trans	-20.5	153.2	165.3	-36	0	0	0	0	118.2	P5	S3-P5 VanDerWaalsContact C-CD 3.42Å
4	G	40.2	Very low	33.5	Very low	77 Å²	77	138.9 Å²	138.9	79%	0.794	77%	0.772	S	S	*	*			cis	126.2	-39.5	14.6	0	0	0	0	0	115.2
5	P	39.5	Very low	33.6	Very low	89 Å²	89	134.1 Å²	134.1	58%	0.578	77%	0.766	S	S	*	*			trans	-108.7	0.5	-166.1	39.6	-35.2	0	0	0	116.4	S3	S3-P5 VanDerWaalsContact C-CD 3.42Å
6	L	32.4	Very low	33.5	Very low	148 Å²	148	139.8 Å²	139.8	78%	0.775	77%	0.771	S	S	*	*	S	Bend	trans	-76.3	-35.4	-174.3	-77.6	172.2	0	0	0	114.3	F8 R9	L6-F8 VanDerWaalsContact C-N 3.29Å; L6-F8 PolarHBondContact O-N 3.4Å; L6-R9 PolarHBondContact O-N 3.45Å
7	A	33.1	Very low	33.9	Very low	78 Å²	78	137 Å²	137	65%	0.645	78%	0.782	S	S	*	*	H	α-helix	trans	-60.1	-35.5	-174.3	0	0	0	0	0	113.6	R9 W10	A7-R9 VanDerWaalsContact C-N 3.31Å; A7-R9 PolarHBondContact O-N 3.11Å; A7-W10 PolarHBondContact O-N 2.92Å
8	F	32.1	Very low	34.2	Very low	180 Å²	180	137.9 Å²	137.9	79%	0.789	78%	0.784	S	S	*	*	H	α-helix	trans	-72.9	-14.8	-176.3	-90	-82.5	0	0	0	114.9	L6	L6-F8 VanDerWaalsContact C-N 3.29Å; L6-F8 PolarHBondContact O-N 3.4Å
9	R	30.5	Very low	34.2	Very low	204 Å²	204	138.4 Å²	138.4	77%	0.77	78%	0.781	S	S	*	*	H	α-helix	trans	-82.3	-19.1	176.7	-68.8	-171.9	76.2	171.4	3	113.9	L6 A7	L6-R9 PolarHBondContact O-N 3.45Å; A7-R9 VanDerWaalsContact C-N 3.31Å; A7-R9 PolarHBondContact O-N 3.11Å
10	W	31.3	Very low	34.2	Very low	222 Å²	222	134.7 Å²	134.7	84%	0.841	77%	0.774	S	S	*	*	H	α-helix	trans	-75.3	-44.8	177.1	-92.7	18.1	0	0	0	112.9	A7 A12 W13	A7-W10 PolarHBondContact O-N 2.92Å; W10-A12 PolarHBondContact O-N 3.17Å; W10-A12 VanDerWaalsContact O-N 3.12Å; W10-W13 PolarHBondContact O-N 3Å
11	C	33.4	Very low	34.3	Very low	109 Å²	109	134.4 Å²	134.4	74%	0.736	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-22.2	179.8	-61.5	0	0	0	0	113.7
12	A	33.9	Very low	34.6	Very low	84 Å²	84	130.3 Å²	130.3	69%	0.694	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-15.2	177	0	0	0	0	0	114.1	W10	W10-A12 PolarHBondContact O-N 3.17Å; W10-A12 VanDerWaalsContact O-N 3.12Å
13	W	30.6	Very low	34.6	Very low	182 Å²	182	132.6 Å²	132.6	69%	0.689	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-29.9	-175.1	-156.3	50.8	0	0	0	113.4	W10 G15 M19	W10-W13 PolarHBondContact O-N 3Å; W13-G15 PolarHBondContact O-N 2.98Å; W13-G15 VanDerWaalsContact O-N 3.07Å; W13-M19 HydrophobicContact CE3-CE 4.06Å; W13-M19 HydrophobicContact CH2-CE 3.69Å; W13-M19 HydrophobicContact CH2-SD 4.15Å; W13-M19 HydrophobicContact CZ3-CE 3.36Å; W13-M19 HydrophobicContact CZ3-SD 4.42Å
14	A	33.1	Very low	34.9	Very low	95 Å²	95	135.6 Å²	135.6	79%	0.785	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-3.2	174.6	0	0	0	0	0	114.7
15	G	34.3	Very low	34.6	Very low	67 Å²	67	136.6 Å²	136.6	69%	0.691	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-1.6	-175	0	0	0	0	0	116.3	W13	W13-G15 PolarHBondContact O-N 2.98Å; W13-G15 VanDerWaalsContact O-N 3.07Å
16	R	33.2	Very low	34.7	Very low	225 Å²	225	137 Å²	137	85%	0.849	76%	0.757	S	S	*	*	S	Bend	trans	-128.6	117.8	171.4	-75.9	-166.2	-78.4	-102.3	5.5	109.8	D18	R16-D18 PolarHBondContact O-N 3.37Å
17	G	40.3	Very low	35.2	Very low	92 Å²	92	134.5 Å²	134.5	95%	0.948	75%	0.752	S	S	*	*			trans	-82.6	77.3	-172	0	0	0	0	0	113
18	D	38.3	Very low	35.3	Very low	154 Å²	154	137.7 Å²	137.7	82%	0.824	75%	0.753	S	S	*	*			trans	-146.3	112.8	165	-145.4	-11.8	0	0	0	109.8	R16	R16-D18 PolarHBondContact O-N 3.37Å
19	M	33.5	Very low	35.6	Very low	147 Å²	147	131.1 Å²	131.1	72%	0.724	73%	0.73	S	S	*	*			trans	-150.9	100.8	-174.2	-86.9	-72.4	-142.6	0	0	108.7	W13	W13-M19 HydrophobicContact CE3-CE 4.06Å; W13-M19 HydrophobicContact CH2-CE 3.69Å; W13-M19 HydrophobicContact CH2-SD 4.15Å; W13-M19 HydrophobicContact CZ3-CE 3.36Å; W13-M19 HydrophobicContact CZ3-SD 4.42Å
20	G	35.2	Very low	36	Very low	63 Å²	63	125.4 Å²	125.4	65%	0.649	71%	0.71	S	S	*	*			trans	-77.5	162.3	177.1	0	0	0	0	0	113.3	D22	G20-D22 PolarHBondContact O-N 2.91Å; G20-D22 VanDerWaalsContact O-N 3.11Å
21	P	36.8	Very low	36.5	Very low	129 Å²	129	120.4 Å²	120.4	84%	0.838	70%	0.696	S	S	*	*	S	Bend	trans	-81.8	86.9	177.7	33.6	-32.9	0	0	0	110.8
22	D	39.5	Very low	36.8	Very low	160 Å²	160	119.7 Å²	119.7	86%	0.856	69%	0.685	S	S	*	*			trans	176	100.7	144.6	-93.2	-22.8	0	0	0	111.6	G20	G20-D22 PolarHBondContact O-N 2.91Å; G20-D22 VanDerWaalsContact O-N 3.11Å
23	M	31.8	Very low	37.1	Very low	180 Å²	180	120.7 Å²	120.7	89%	0.887	68%	0.678	S	S	*	*			trans	-149.1	121.1	154.5	-89	-155.6	175.6	0	0	110.1
24	E	39	Very low	37.8	Very low	162 Å²	162	117.7 Å²	117.7	76%	0.757	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-72	138.9	173.1	-69.5	-146.5	89.2	0	0	112	K30	E24-K30 IonicContact OE1-NZ 2.81Å; E24-K30 PolarHBondContact OE1-NZ 3.28Å; E24-K30 IonicContact OE2-NZ 3.16Å
25	L	34.6	Very low	38.2	Very low	98 Å²	98	118.5 Å²	118.5	51%	0.513	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-60.8	133.3	171.1	-100.3	69.6	0	0	0	111	K30	L25-K30 HydrophobicContact CB-CG 4.22Å; L25-K30 WeakPolarHBondContact O-CE 3.43Å
26	P	41.4	Very low	38.5	Very low	97 Å²	97	120.2 Å²	120.2	63%	0.63	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-52.4	140.4	176.5	-28.7	35.4	0	0	0	112.8	H28 S29 K30	P26-H28 PolarHBondContact O-N 2.98Å; P26-S29 PolarHBondContact O-N 3.46Å; P26-S29 PolarHBondContact O-OG 2.93Å; P26-K30 PolarHBondContact O-N 3.21Å
27	S	42.5	Very low	38.6	Very low	96 Å²	96	113.6 Å²	113.6	67%	0.671	64%	0.636	S	S	*	*	H	α-helix	trans	-47.3	-41.7	-173	52.3	0	0	0	0	114.4	S29 K30 Q31	S27-S29 VanDerWaalsContact C-N 3.31Å; S27-S29 PolarHBondContact O-N 3.36Å; S27-K30 PolarHBondContact O-N 2.79Å; S27-Q31 WeakPolarHBondContact O-CB 3.48Å; S27-Q31 PolarHBondContact O-N 3.4Å
28	H	35.2	Very low	38.6	Very low	146 Å²	146	116 Å²	116	68%	0.676	62%	0.623	S	S	*	*	H	α-helix	trans	-60.5	-33.7	180	-157.7	-110.2	0	0	0	113.6	P26 L32	P26-H28 PolarHBondContact O-N 2.98Å; H28-L32 PolarHBondContact O-N 2.74Å
29	S	38.2	Very low	38.5	Very low	42 Å²	42	114.5 Å²	114.5	29%	0.294	61%	0.611	S	S	.	*	H	α-helix	trans	-79.9	-36	177.3	64.8	0	0	0	0	112.5	P26 S27 Q31 L32 L33	P26-S29 PolarHBondContact O-N 3.46Å; P26-S29 PolarHBondContact O-OG 2.93Å; S27-S29 VanDerWaalsContact C-N 3.31Å; S27-S29 PolarHBondContact O-N 3.36Å; S29-Q31 VanDerWaalsContact C-N 3.27Å; S29-Q31 PolarHBondContact O-N 2.94Å; S29-L32 PolarHBondContact O-N 2.98Å; S29-L33 WeakPolarHBondContact O-CB 3.45Å; S29-L33 WeakPolarHBondContact O-CG 3.24Å; S29-L33 PolarHBondContact O-N 3.1Å
30	K	40.8	Very low	38.4	Very low	84 Å²	84	115.7 Å²	115.7	37%	0.365	61%	0.607	S	S	.	*	H	α-helix	trans	-58.9	-40.2	167.2	-70.3	-179.3	178.7	176.2	0	111	E24 L25 P26 S27 L34	E24-K30 IonicContact OE1-NZ 2.81Å; E24-K30 PolarHBondContact OE1-NZ 3.28Å; E24-K30 IonicContact OE2-NZ 3.16Å; L25-K30 HydrophobicContact CB-CG 4.22Å; L25-K30 WeakPolarHBondContact O-CE 3.43Å; P26-K30 PolarHBondContact O-N 3.21Å; S27-K30 PolarHBondContact O-N 2.79Å; K30-L34 WeakPolarHBondContact O-CB 3.1Å; K30-L34 PolarHBondContact O-N 3.07Å
31	Q	40	Very low	38.5	Very low	117 Å²	117	118.1 Å²	118.1	55%	0.547	61%	0.61	S	S	.	*	H	α-helix	trans	-72	-39.1	-179.7	-167.3	163.3	0.7	0	0	112.9	S27 S29 L34 Q35	S27-Q31 WeakPolarHBondContact O-CB 3.48Å; S27-Q31 PolarHBondContact O-N 3.4Å; S29-Q31 VanDerWaalsContact C-N 3.27Å; S29-Q31 PolarHBondContact O-N 2.94Å; Q31-L34 PolarHBondContact O-N 3.22Å; Q31-Q35 PolarHBondContact O-N 3.06Å
32	L	40.3	Very low	38.6	Very low	94 Å²	94	119 Å²	119	49%	0.492	60%	0.601	S	S	.	*	H	α-helix	trans	-62.8	-42.6	173	-159.6	87	0	0	0	111.6	H28 S29 Q35 L36	H28-L32 PolarHBondContact O-N 2.74Å; S29-L32 PolarHBondContact O-N 2.98Å; L32-Q35 PolarHBondContact O-N 2.84Å; L32-L36 HydrophobicContact CD2-CD1 4.47Å; L32-L36 HydrophobicContact CG-CD1 4.46Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 3.35Å
33	L	41.2	Very low	38.5	Very low	105 Å²	105	114.8 Å²	114.8	55%	0.55	59%	0.594	S	S	.	*	H	α-helix	trans	-63.7	-39	174.6	-80	166.4	0	0	0	112.3	S29 L36 N37	S29-L33 WeakPolarHBondContact O-CB 3.45Å; S29-L33 WeakPolarHBondContact O-CG 3.24Å; S29-L33 PolarHBondContact O-N 3.1Å; L33-L36 PolarHBondContact O-N 3.17Å; L33-N37 VanDerWaalsContact O-CB 3.28Å; L33-N37 WeakPolarHBondContact O-CB 3.33Å; L33-N37 PolarHBondContact O-N 2.86Å
34	L	45.5	Very low	38.8	Very low	118 Å²	118	113.8 Å²	113.8	62%	0.618	59%	0.585	S	S	*	*	H	α-helix	trans	-62.9	-43.6	173.4	-93.9	159.1	0	0	0	112.1	K30 Q31 N37 Q38	K30-L34 WeakPolarHBondContact O-CB 3.1Å; K30-L34 PolarHBondContact O-N 3.07Å; Q31-L34 PolarHBondContact O-N 3.22Å; L34-N37 PolarHBondContact O-N 3.09Å; L34-Q38 WeakPolarHBondContact O-CB 3.34Å; L34-Q38 PolarHBondContact O-N 3.42Å
35	Q	40.8	Very low	38.5	Very low	113 Å²	113	110.1 Å²	110.1	53%	0.528	57%	0.57	S	S	.	*	H	α-helix	trans	-63.4	-44.7	175.2	-74.8	-178.3	-38.9	0	0	112.1	Q31 L32 N37 Q38 Q39	Q31-Q35 PolarHBondContact O-N 3.06Å; L32-Q35 PolarHBondContact O-N 2.84Å; Q35-N37 VanDerWaalsContact C-N 3.33Å; Q35-N37 PolarHBondContact O-N 3.45Å; Q35-Q38 WeakPolarHBondContact O-CB 3.45Å; Q35-Q38 PolarHBondContact O-N 2.91Å; Q35-Q38 VanDerWaalsContact O-N 3.14Å; Q35-Q39 WeakPolarHBondContact O-CG 3.34Å; Q35-Q39 PolarHBondContact O-N 3.32Å
36	L	39.3	Very low	38.7	Very low	102 Å²	102	109.6 Å²	109.6	53%	0.534	57%	0.574	S	S	.	*	H	α-helix	trans	-61.8	-39.6	175.3	-72.8	166.4	0	0	0	111.9	L32 L33 Q38 Q39 R40	L32-L36 HydrophobicContact CD2-CD1 4.47Å; L32-L36 HydrophobicContact CG-CD1 4.46Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 3.35Å; L33-L36 PolarHBondContact O-N 3.17Å; L36-Q38 VanDerWaalsContact C-N 3.32Å; L36-Q39 PolarHBondContact O-N 3.17Å; L36-R40 WeakPolarHBondContact O-CB 3.26Å; L36-R40 PolarHBondContact O-N 3.19Å
37	N	36.4	Very low	38.2	Very low	86 Å²	86	109.6 Å²	109.6	46%	0.46	57%	0.569	S	S	.	*	H	α-helix	trans	-71.7	-26.2	175.7	-159.1	37.4	0	0	0	112.5	L33 L34 Q35 R40	L33-N37 VanDerWaalsContact O-CB 3.28Å; L33-N37 WeakPolarHBondContact O-CB 3.33Å; L33-N37 PolarHBondContact O-N 2.86Å; L34-N37 PolarHBondContact O-N 3.09Å; Q35-N37 VanDerWaalsContact C-N 3.33Å; Q35-N37 PolarHBondContact O-N 3.45Å; N37-R40 PolarHBondContact OD1-NH1 3.11Å
38	Q	40.6	Very low	37.8	Very low	144 Å²	144	108.8 Å²	108.8	67%	0.673	56%	0.56	S	S	*	*	H	α-helix	trans	-71.1	-41	170.2	-119	175.9	-3	0	0	111.6	L34 Q35 L36 R40 T41	L34-Q38 WeakPolarHBondContact O-CB 3.34Å; L34-Q38 PolarHBondContact O-N 3.42Å; Q35-Q38 WeakPolarHBondContact O-CB 3.45Å; Q35-Q38 PolarHBondContact O-N 2.91Å; Q35-Q38 VanDerWaalsContact O-N 3.14Å; L36-Q38 VanDerWaalsContact C-N 3.32Å; Q38-R40 VanDerWaalsContact C-N 3.34Å; Q38-T41 PolarHBondContact O-N 3.48Å; Q38-T41 PolarHBondContact O-OG1 3.02Å
39	Q	36.8	Very low	37.9	Very low	122 Å²	122	105.4 Å²	105.4	57%	0.57	55%	0.546	S	S	*	.	H	α-helix	trans	-69.8	-29.6	174.4	-63.8	-63.8	-0.6	0	0	112.6	Q35 L36 T41 K42	Q35-Q39 WeakPolarHBondContact O-CG 3.34Å; Q35-Q39 PolarHBondContact O-N 3.32Å; L36-Q39 PolarHBondContact O-N 3.17Å; Q39-T41 PolarHBondContact O-N 2.85Å; Q39-T41 VanDerWaalsContact O-N 3.12Å; Q39-K42 WeakPolarHBondContact O-CA 3.21Å; Q39-K42 PolarHBondContact O-N 3.07Å
40	R	30.8	Very low	37.9	Very low	171 Å²	171	107.7 Å²	107.7	65%	0.645	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-57	-24.2	172.8	177	-178.8	164.9	-164.2	-0.4	113.6	L36 N37 Q38 K42 L45	L36-R40 WeakPolarHBondContact O-CB 3.26Å; L36-R40 PolarHBondContact O-N 3.19Å; N37-R40 PolarHBondContact OD1-NH1 3.11Å; Q38-R40 VanDerWaalsContact C-N 3.34Å; R40-K42 PolarHBondContact O-N 3.06Å; R40-L45 HydrophobicContact CB-CD1 3.92Å; R40-L45 HydrophobicContact CG-CD1 3.97Å
41	T	37.7	Very low	37.6	Very low	115 Å²	115	110 Å²	110	71%	0.706	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-77.2	-3.5	173.9	67	0	0	0	0	113.7	Q38 Q39	Q38-T41 PolarHBondContact O-N 3.48Å; Q38-T41 PolarHBondContact O-OG1 3.02Å; Q39-T41 PolarHBondContact O-N 2.85Å; Q39-T41 VanDerWaalsContact O-N 3.12Å
42	K	37.8	Very low	37.3	Very low	148 Å²	148	108.3 Å²	108.3	64%	0.643	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-129.2	44.8	-175.5	-65.8	-173.4	176.1	-175.7	0	113.7	Q39 R40 F44	Q39-K42 WeakPolarHBondContact O-CA 3.21Å; Q39-K42 PolarHBondContact O-N 3.07Å; R40-K42 PolarHBondContact O-N 3.06Å; K42-F44 WeakPolarHBondContact O-CD2 3.48Å; K42-F44 PolarHBondContact O-N 3.06Å
43	G	37.2	Very low	37.1	Very low	70 Å²	70	106.3 Å²	106.3	72%	0.722	55%	0.553	S	S	*	*	S	Bend	trans	68	-22.9	156.8	0	0	0	0	0	120.2	L45	G43-L45 VanDerWaalsContact C-N 3.27Å; G43-L45 PolarHBondContact O-N 3.28Å
44	F	38.6	Very low	36.8	Very low	159 Å²	159	106.8 Å²	106.8	70%	0.697	56%	0.556	S	S	*	*			trans	-81.9	44.9	-169.4	-77	-73.7	0	0	0	115.2	K42	K42-F44 WeakPolarHBondContact O-CD2 3.48Å; K42-F44 PolarHBondContact O-N 3.06Å
45	L	33.3	Very low	36.3	Very low	85 Å²	85	105.3 Å²	105.3	45%	0.445	56%	0.556	S	S	.	*			trans	-107.2	1.3	-176.5	-101.8	170.1	0	0	0	116.1	R40 G43 I49	R40-L45 HydrophobicContact CB-CD1 3.92Å; R40-L45 HydrophobicContact CG-CD1 3.97Å; G43-L45 VanDerWaalsContact C-N 3.27Å; G43-L45 PolarHBondContact O-N 3.28Å; L45-I49 VanDerWaalsContact O-CD1 3.29Å; L45-I49 WeakPolarHBondContact O-CD1 3.28Å; L45-I49 WeakPolarHBondContact O-CG1 3.36Å
46	C	37.7	Very low	36.2	Very low	88 Å²	88	105 Å²	105	60%	0.595	56%	0.557	S	S	*	*	S	Bend	trans	-79.3	-51.8	173.1	-61.6	0	0	0	0	111.9	I49	C46-I49 PolarHBondContact O-N 3.34Å
47	D	31.7	Very low	35.9	Very low	96 Å²	96	106.3 Å²	106.3	51%	0.513	56%	0.559	S	S	.	*	H	α-helix	trans	-76.7	-32.5	-164	-46.2	-56.6	0	0	0	113.5	I49 I50 M51	D47-I49 VanDerWaalsContact C-N 3.3Å; D47-I49 PolarHBondContact O-N 3.06Å; D47-I50 PolarHBondContact O-N 2.9Å; D47-M51 PolarHBondContact O-N 3.32Å; D47-M51 VanDerWaalsContact O-N 3.08Å
48	V	33.6	Very low	35.9	Very low	80 Å²	80	113.9 Å²	113.9	49%	0.485	58%	0.58	S	S	.	*	H	α-helix	trans	-66.7	-33	179	-177.8	0	0	0	0	111.6	V52	V48-V52 WeakPolarHBondContact O-CG2 3.45Å; V48-V52 PolarHBondContact O-N 2.82Å
49	I	36.6	Very low	35.6	Very low	75 Å²	75	109.9 Å²	109.9	39%	0.385	57%	0.572	S	S	.	*	H	α-helix	trans	-67.1	-49	176.4	-62.8	179.4	0	0	0	109.4	L45 C46 D47 M51 V52 E53	L45-I49 VanDerWaalsContact O-CD1 3.29Å; L45-I49 WeakPolarHBondContact O-CD1 3.28Å; L45-I49 WeakPolarHBondContact O-CG1 3.36Å; C46-I49 PolarHBondContact O-N 3.34Å; D47-I49 VanDerWaalsContact C-N 3.3Å; D47-I49 PolarHBondContact O-N 3.06Å; I49-M51 VanDerWaalsContact C-N 3.31Å; I49-M51 PolarHBondContact O-N 3.43Å; I49-V52 PolarHBondContact O-N 2.89Å; I49-V52 VanDerWaalsContact O-N 3.13Å; I49-E53 HydrophobicContact CG2-CG 4.28Å; I49-E53 WeakPolarHBondContact O-CG 3.41Å; I49-E53 PolarHBondContact O-N 3.15Å
50	I	39.2	Very low	35.4	Very low	89 Å²	89	112.5 Å²	112.5	46%	0.456	58%	0.584	S	S	.	*	H	α-helix	trans	-61	-35.8	-179.3	-63.4	168.4	0	0	0	112.3	D47 N54	D47-I50 PolarHBondContact O-N 2.9Å; I50-N54 PolarHBondContact O-N 3.27Å; I50-N54 PolarHBondContact O-ND2 2.91Å
51	M	34	Very low	35.4	Very low	134 Å²	134	113.2 Å²	113.2	66%	0.66	59%	0.592	S	S	*	*	H	α-helix	trans	-65.9	-41.8	175	-78.5	-165.7	-71	0	0	113	D47 I49	D47-M51 PolarHBondContact O-N 3.32Å; D47-M51 VanDerWaalsContact O-N 3.08Å; I49-M51 VanDerWaalsContact C-N 3.31Å; I49-M51 PolarHBondContact O-N 3.43Å
52	V	35.1	Very low	35.4	Very low	81 Å²	81	114.5 Å²	114.5	49%	0.491	60%	0.595	S	S	.	*	H	α-helix	trans	-70.7	-42.6	179.6	176.6	0	0	0	0	110.8	V48 I49 N54 S55 I56	V48-V52 WeakPolarHBondContact O-CG2 3.45Å; V48-V52 PolarHBondContact O-N 2.82Å; I49-V52 PolarHBondContact O-N 2.89Å; I49-V52 VanDerWaalsContact O-N 3.13Å; V52-N54 PolarHBondContact O-N 2.99Å; V52-S55 PolarHBondContact O-N 3.41Å; V52-S55 PolarHBondContact O-OG 2.82Å; V52-I56 HydrophobicContact CG1-CD1 4Å
53	E	36.1	Very low	35.5	Very low	51 Å²	51	109.7 Å²	109.7	24%	0.238	58%	0.577	C	S	.	*	H	α-helix	trans	-52.4	-51.1	-180	-75.6	174.8	156.3	0	0	112.9	I49 S55 I56 F57 Y70	I49-E53 HydrophobicContact CG2-CG 4.28Å; I49-E53 WeakPolarHBondContact O-CG 3.41Å; I49-E53 PolarHBondContact O-N 3.15Å; E53-S55 PolarHBondContact O-N 2.95Å; E53-S55 VanDerWaalsContact O-N 3.15Å; E53-I56 PolarHBondContact O-N 3.11Å; E53-I56 VanDerWaalsContact O-N 3.14Å; E53-F57 WeakPolarHBondContact O-CD2 3.46Å; E53-Y70 WeakPolarHBondContact OE1-CE1 3.25Å
54	N	34.1	Very low	35.3	Very low	115 Å²	115	112.8 Å²	112.8	62%	0.615	58%	0.577	S	S	*	*	H	α-helix	trans	-62.4	-24.6	-176.3	-78.6	-68.7	0	0	0	113.8	I50 V52	I50-N54 PolarHBondContact O-N 3.27Å; I50-N54 PolarHBondContact O-ND2 2.91Å; V52-N54 PolarHBondContact O-N 2.99Å
55	S	35.6	Very low	35	Very low	88 Å²	88	108.4 Å²	108.4	62%	0.615	57%	0.57	S	S	*	*	H	α-helix	trans	-75.2	-29.9	178.1	74.2	0	0	0	0	113.5	V52 E53	V52-S55 PolarHBondContact O-N 3.41Å; V52-S55 PolarHBondContact O-OG 2.82Å; E53-S55 PolarHBondContact O-N 2.95Å; E53-S55 VanDerWaalsContact O-N 3.15Å
56	I	37.5	Very low	35.1	Very low	107 Å²	107	107.1 Å²	107.1	55%	0.549	57%	0.572	S	S	.	*	H	α-helix	trans	-88.3	-25.3	-171.9	-61.5	174.8	0	0	0	111.8	V52 E53 R58 A59	V52-I56 HydrophobicContact CG1-CD1 4Å; E53-I56 PolarHBondContact O-N 3.11Å; E53-I56 VanDerWaalsContact O-N 3.14Å; I56-R58 PolarHBondContact O-N 2.68Å; I56-A59 PolarHBondContact O-N 3.05Å
57	F	33.2	Very low	35.1	Very low	129 Å²	129	104.1 Å²	104.1	57%	0.566	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-5.1	-172.4	-100.7	-74.2	0	0	0	116.8	E53 V63	E53-F57 WeakPolarHBondContact O-CD2 3.46Å; F57-V63 HydrophobicContact CD1-CG1 4.32Å; F57-V63 HydrophobicContact CE1-CG1 3.95Å
58	R	37.2	Very low	35.3	Very low	244 Å²	244	102.4 Å²	102.4	92%	0.921	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-0.6	176.9	-67.9	-171.7	177.7	-170.8	0.7	114.8	I56	I56-R58 PolarHBondContact O-N 2.68Å
59	A	33	Very low	35.7	Very low	61 Å²	61	103.4 Å²	103.4	50%	0.504	55%	0.549	S	S	.	.	S	Bend	trans	-117.3	95.2	-170.4	0	0	0	0	0	116.6	I56 V63	I56-A59 PolarHBondContact O-N 3.05Å; A59-V63 WeakPolarHBondContact O-CG2 3.45Å
60	H	33.4	Very low	35.9	Very low	177 Å²	177	105.3 Å²	105.3	82%	0.819	55%	0.552	S	S	*	*			trans	68.6	156.1	152.7	-81.1	-119.7	0	0	0	121.3	N62 V63	H60-N62 VanDerWaalsContact C-N 3.27Å; H60-N62 PolarHBondContact O-N 3.02Å; H60-V63 WeakPolarHBondContact O-CG2 3.1Å; H60-V63 PolarHBondContact O-N 3.11Å
61	K	30.6	Very low	35.7	Very low	186 Å²	186	107.4 Å²	107.4	81%	0.809	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-25.4	-169.6	-84.4	-179.2	173.2	175.9	0	116.4	V63 L64	K61-V63 PolarHBondContact O-N 2.61Å; K61-L64 PolarHBondContact O-N 2.94Å
62	N	37.5	Very low	36	Very low	142 Å²	142	107.1 Å²	107.1	76%	0.759	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-19.6	-176.4	-64.3	-0.1	0	0	0	112.5	H60 L64 A65	H60-N62 VanDerWaalsContact C-N 3.27Å; H60-N62 PolarHBondContact O-N 3.02Å; N62-L64 PolarHBondContact O-N 2.98Å; N62-A65 PolarHBondContact O-N 3.05Å
63	V	39.4	Very low	36.4	Very low	46 Å²	46	103.8 Å²	103.8	28%	0.279	53%	0.533	S	S	.	.	H	α-helix	trans	-58.9	-26.2	176.5	175	0	0	0	0	112.8	F57 A59 H60 K61 A65 A66 S67	F57-V63 HydrophobicContact CD1-CG1 4.32Å; F57-V63 HydrophobicContact CE1-CG1 3.95Å; A59-V63 WeakPolarHBondContact O-CG2 3.45Å; H60-V63 WeakPolarHBondContact O-CG2 3.1Å; H60-V63 PolarHBondContact O-N 3.11Å; K61-V63 PolarHBondContact O-N 2.61Å; V63-A65 PolarHBondContact O-N 3.22Å; V63-A66 PolarHBondContact O-N 2.91Å; V63-S67 VanDerWaalsContact O-CB 3.23Å; V63-S67 WeakPolarHBondContact O-CB 3.26Å; V63-S67 PolarHBondContact O-N 3.12Å; V63-S67 PolarHBondContact O-OG 3.1Å; V63-S67 VanDerWaalsContact O-OG 3.04Å
64	L	34.1	Very low	36.7	Very low	135 Å²	135	104.7 Å²	104.7	71%	0.707	54%	0.54	S	S	*	.	H	α-helix	trans	-67.6	-31.2	-179.9	-79.4	166.8	0	0	0	114.2	K61 N62 S67 S68	K61-L64 PolarHBondContact O-N 2.94Å; N62-L64 PolarHBondContact O-N 2.98Å; L64-S67 PolarHBondContact O-OG 3.28Å; L64-S68 PolarHBondContact O-N 3.16Å
65	A	32.2	Very low	37.2	Very low	68 Å²	68	103.2 Å²	103.2	56%	0.562	53%	0.534	S	S	*	.	H	α-helix	trans	-76.5	-45.6	173.8	0	0	0	0	0	110.6	N62 V63 S67 S68 I69	N62-A65 PolarHBondContact O-N 3.05Å; V63-A65 PolarHBondContact O-N 3.22Å; A65-S67 PolarHBondContact O-N 2.66Å; A65-S68 PolarHBondContact O-N 3.25Å; A65-I69 PolarHBondContact O-N 3.37Å
66	A	34.7	Very low	37.8	Very low	58 Å²	58	99.8 Å²	99.8	48%	0.479	51%	0.509	S	S	.	.	H	α-helix	trans	-60.8	-44	177.4	0	0	0	0	0	111.9	V63 S68 I69 Y70	V63-A66 PolarHBondContact O-N 2.91Å; A66-S68 PolarHBondContact O-N 3.14Å; A66-I69 PolarHBondContact O-N 3Å; A66-Y70 WeakPolarHBondContact O-CB 3.47Å; A66-Y70 PolarHBondContact O-N 2.84Å
67	S	38.3	Very low	38.3	Very low	24 Å²	24	98.2 Å²	98.2	17%	0.168	50%	0.499	C	S	.	.	H	α-helix	trans	-69	-32	178.8	70.9	0	0	0	0	112.5	V63 L64 A65 I69 Y70 F71	V63-S67 VanDerWaalsContact O-CB 3.23Å; V63-S67 WeakPolarHBondContact O-CB 3.26Å; V63-S67 PolarHBondContact O-N 3.12Å; V63-S67 PolarHBondContact O-OG 3.1Å; V63-S67 VanDerWaalsContact O-OG 3.04Å; L64-S67 PolarHBondContact O-OG 3.28Å; A65-S67 PolarHBondContact O-N 2.66Å; S67-I69 VanDerWaalsContact C-N 3.27Å; S67-I69 PolarHBondContact O-N 3.2Å; S67-Y70 PolarHBondContact O-N 3.4Å; S67-F71 WeakPolarHBondContact O-CB 3.44Å; S67-F71 WeakPolarHBondContact O-CD2 3.44Å; S67-F71 PolarHBondContact O-N 3.24Å
68	S	35	Very low	38.9	Very low	60 Å²	60	96.7 Å²	96.7	42%	0.42	50%	0.497	S	S	.	.	H	α-helix	trans	-63.7	-32.8	171.9	-168	0	0	0	0	112.5	L64 A65 A66 K72	L64-S68 PolarHBondContact O-N 3.16Å; A65-S68 PolarHBondContact O-N 3.25Å; A66-S68 PolarHBondContact O-N 3.14Å; S68-K72 VanDerWaalsContact O-CD 3.27Å; S68-K72 WeakPolarHBondContact O-CD 3.37Å; S68-K72 VanDerWaalsContact O-CG 3.22Å; S68-K72 WeakPolarHBondContact O-CG 3.44Å
69	I	43.6	Very low	39.2	Very low	102 Å²	102	88.8 Å²	88.8	52%	0.523	47%	0.473	S	S	.	.	H	α-helix	trans	-77.3	-43.3	173.2	-62.1	166.7	0	0	0	110.3	A65 A66 S67 K72 S73	A65-I69 PolarHBondContact O-N 3.37Å; A66-I69 PolarHBondContact O-N 3Å; S67-I69 VanDerWaalsContact C-N 3.27Å; S67-I69 PolarHBondContact O-N 3.2Å; I69-K72 WeakPolarHBondContact O-CB 3.31Å; I69-K72 PolarHBondContact O-N 3.41Å; I69-S73 PolarHBondContact O-N 3.22Å; I69-S73 PolarHBondContact O-OG 3.24Å
70	Y	39.1	Very low	39.9	Very low	115 Å²	115	86.5 Å²	86.5	45%	0.451	45%	0.452	S	S	.	.	H	α-helix	trans	-67.2	-42.1	-177.2	-159	-101.1	0	0	0	112.7	E53 A66 S67 K72 S73 L74	E53-Y70 WeakPolarHBondContact OE1-CE1 3.25Å; A66-Y70 WeakPolarHBondContact O-CB 3.47Å; A66-Y70 PolarHBondContact O-N 2.84Å; S67-Y70 PolarHBondContact O-N 3.4Å; Y70-K72 VanDerWaalsContact C-N 3.34Å; Y70-K72 PolarHBondContact O-N 2.9Å; Y70-S73 CarbonylContact O-C 3.58Å; Y70-S73 WeakPolarHBondContact O-CA 3.41Å; Y70-S73 WeakPolarHBondContact O-CB 3.48Å; Y70-S73 PolarHBondContact O-N 2.83Å; Y70-S73 VanDerWaalsContact O-N 3.1Å; Y70-L74 HydrophobicContact CD1-CD1 3.74Å; Y70-L74 HydrophobicContact CD1-CG 4.45Å; Y70-L74 HydrophobicContact CE1-CD1 3.71Å; Y70-L74 HydrophobicContact CE1-CG 4.35Å; Y70-L74 PolarHBondContact O-N 2.86Å
71	F	36.9	Very low	40.7	Very low	132 Å²	132	84.2 Å²	84.2	58%	0.579	45%	0.445	S	S	*	.	H	α-helix	trans	-64.6	-35.6	172.5	-91	-74.3	0	0	0	112.6	S67 S73 V75	S67-F71 WeakPolarHBondContact O-CB 3.44Å; S67-F71 WeakPolarHBondContact O-CD2 3.44Å; S67-F71 PolarHBondContact O-N 3.24Å; F71-S73 VanDerWaalsContact C-N 3.34Å; F71-V75 WeakPolarHBondContact O-CB 3.35Å; F71-V75 VanDerWaalsContact O-CG2 3.3Å; F71-V75 WeakPolarHBondContact O-CG2 3.41Å; F71-V75 PolarHBondContact O-N 3.44Å
72	K	38.9	Very low	41.1	Very low	128 Å²	128	82 Å²	82	56%	0.557	44%	0.442	S	S	*	.	H	α-helix	trans	-64.4	-42.2	170.4	-71.4	168.8	-170.4	172.1	0	110.5	S68 I69 Y70 L76	S68-K72 VanDerWaalsContact O-CD 3.27Å; S68-K72 WeakPolarHBondContact O-CD 3.37Å; S68-K72 VanDerWaalsContact O-CG 3.22Å; S68-K72 WeakPolarHBondContact O-CG 3.44Å; I69-K72 WeakPolarHBondContact O-CB 3.31Å; I69-K72 PolarHBondContact O-N 3.41Å; Y70-K72 VanDerWaalsContact C-N 3.34Å; Y70-K72 PolarHBondContact O-N 2.9Å; K72-L76 VanDerWaalsContact O-CB 3.23Å; K72-L76 WeakPolarHBondContact O-CB 3.31Å; K72-L76 VanDerWaalsContact O-CD1 3.3Å; K72-L76 WeakPolarHBondContact O-CD1 3.48Å; K72-L76 WeakPolarHBondContact O-CG 3.45Å; K72-L76 PolarHBondContact O-N 3.25Å
73	S	42.8	Very low	41.6	Very low	11 Å²	11	77.1 Å²	77.1	8%	0.077	42%	0.416	C	S	.	.	H	α-helix	trans	-63	-44.7	178	-53.3	0	0	0	0	112	I69 Y70 F71 L76 H77	I69-S73 PolarHBondContact O-N 3.22Å; I69-S73 PolarHBondContact O-OG 3.24Å; Y70-S73 CarbonylContact O-C 3.58Å; Y70-S73 WeakPolarHBondContact O-CA 3.41Å; Y70-S73 WeakPolarHBondContact O-CB 3.48Å; Y70-S73 PolarHBondContact O-N 2.83Å; Y70-S73 VanDerWaalsContact O-N 3.1Å; F71-S73 VanDerWaalsContact C-N 3.34Å; S73-L76 PolarHBondContact O-N 2.96Å; S73-H77 WeakPolarHBondContact O-CB 3.44Å; S73-H77 PolarHBondContact O-CD2 3.02Å; S73-H77 VanDerWaalsContact O-CD2 3.29Å; S73-H77 PolarHBondContact O-N 3.43Å
74	L	44.4	Very low	41.7	Very low	71 Å²	71	80.6 Å²	80.6	37%	0.372	43%	0.432	S	S	.	.	H	α-helix	trans	-61.7	-51.5	175.1	-87.8	162.2	0	0	0	112.2	Y70 L76 H77 D78	Y70-L74 HydrophobicContact CD1-CD1 3.74Å; Y70-L74 HydrophobicContact CD1-CG 4.45Å; Y70-L74 HydrophobicContact CE1-CD1 3.71Å; Y70-L74 HydrophobicContact CE1-CG 4.35Å; Y70-L74 PolarHBondContact O-N 2.86Å; L74-L76 PolarHBondContact O-N 3.42Å; L74-H77 WeakPolarHBondContact O-CB 3.41Å; L74-H77 PolarHBondContact O-N 3.12Å; L74-D78 PolarHBondContact O-N 3.17Å
75	V	44	Very low	42.2	Very low	83 Å²	83	79.9 Å²	79.9	50%	0.503	43%	0.434	S	S	.	.	H	α-helix	trans	-61.3	-36.3	177.1	171.7	0	0	0	0	111.1	F71 N79	F71-V75 WeakPolarHBondContact O-CB 3.35Å; F71-V75 VanDerWaalsContact O-CG2 3.3Å; F71-V75 WeakPolarHBondContact O-CG2 3.41Å; F71-V75 PolarHBondContact O-N 3.44Å; V75-N79 PolarHBondContact O-N 3.31Å; V75-N79 VanDerWaalsContact O-N 3.12Å; V75-N79 PolarHBondContact O-ND2 2.98Å
76	L	47.6	Very low	42.7	Very low	17 Å²	17	83.8 Å²	83.8	9%	0.089	45%	0.445	C	S	.	.	H	α-helix	trans	-69.2	-38.5	173.6	-72.6	163.4	0	0	0	111.8	K72 S73 L74 N79 L80 I100 L126 L128	K72-L76 VanDerWaalsContact O-CB 3.23Å; K72-L76 WeakPolarHBondContact O-CB 3.31Å; K72-L76 VanDerWaalsContact O-CD1 3.3Å; K72-L76 WeakPolarHBondContact O-CD1 3.48Å; K72-L76 WeakPolarHBondContact O-CG 3.45Å; K72-L76 PolarHBondContact O-N 3.25Å; S73-L76 PolarHBondContact O-N 2.96Å; L74-L76 PolarHBondContact O-N 3.42Å; L76-N79 CarbonylContact O-C 3.57Å; L76-N79 PolarHBondContact O-N 2.78Å; L76-L80 WeakPolarHBondContact O-CB 3.49Å; L76-L80 WeakPolarHBondContact O-CD1 3.33Å; L76-L80 WeakPolarHBondContact O-CG 3.26Å; L76-L80 PolarHBondContact O-N 3.06Å; L76-I100 HydrophobicContact CD1-CD1 3.86Å; L76-I100 HydrophobicContact CD1-CG1 4.24Å; L76-L126 HydrophobicContact CD2-CB 4.19Å; L76-L128 HydrophobicContact CD1-CD2 3.84Å; L76-L128 HydrophobicContact CD2-CD1 4.22Å; L76-L128 HydrophobicContact CD2-CD2 3.78Å; L76-L128 HydrophobicContact CD2-CG 3.99Å; L76-L128 HydrophobicContact CG-CD2 4.46Å
77	H	48.8	Very low	43.1	Very low	74 Å²	74	87 Å²	87	34%	0.343	45%	0.452	S	S	.	.	H	α-helix	trans	-61.1	-46.2	174.1	-94.9	-77.2	0	0	0	112	S73 L74 N79 L80 I81	S73-H77 WeakPolarHBondContact O-CB 3.44Å; S73-H77 PolarHBondContact O-CD2 3.02Å; S73-H77 VanDerWaalsContact O-CD2 3.29Å; S73-H77 PolarHBondContact O-N 3.43Å; L74-H77 WeakPolarHBondContact O-CB 3.41Å; L74-H77 PolarHBondContact O-N 3.12Å; H77-N79 VanDerWaalsContact C-N 3.33Å; H77-N79 PolarHBondContact O-N 2.9Å; H77-L80 PolarHBondContact O-N 2.78Å; H77-I81 WeakPolarHBondContact O-CB 3.36Å; H77-I81 WeakPolarHBondContact O-CD1 3.15Å; H77-I81 VanDerWaalsContact O-CG1 3.23Å; H77-I81 WeakPolarHBondContact O-CG1 3.41Å; H77-I81 PolarHBondContact O-N 3.17Å
78	D	45.5	Very low	43.8	Very low	96 Å²	96	87 Å²	87	51%	0.513	45%	0.451	S	S	.	.	H	α-helix	trans	-60.6	-41.9	175.1	-75.6	-24	0	0	0	112	L74 L80 N82	L74-D78 PolarHBondContact O-N 3.17Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-N82 PolarHBondContact O-N 3.29Å; D78-N82 PolarHBondContact O-ND2 2.91Å
79	N	43.6	Very low	45	Very low	79 Å²	79	87.4 Å²	87.4	42%	0.422	45%	0.453	S	S	.	.	H	α-helix	trans	-73.2	-24.3	177.2	-77	-85.9	0	0	0	113.2	V75 L76 H77 L126	V75-N79 PolarHBondContact O-N 3.31Å; V75-N79 VanDerWaalsContact O-N 3.12Å; V75-N79 PolarHBondContact O-ND2 2.98Å; L76-N79 CarbonylContact O-C 3.57Å; L76-N79 PolarHBondContact O-N 2.78Å; H77-N79 VanDerWaalsContact C-N 3.33Å; H77-N79 PolarHBondContact O-N 2.9Å; N79-L126 HydrophobicContact CB-CD2 4Å
80	L	47.9	Very low	45.7	Very low	13 Å²	13	87.1 Å²	87.1	7%	0.068	46%	0.461	C	S	.	.	H	α-helix	trans	-80	-34.1	174	-78.2	168.4	0	0	0	112.2	L76 H77 D78 N82 L83 F93 L97 L126	L76-L80 WeakPolarHBondContact O-CB 3.49Å; L76-L80 WeakPolarHBondContact O-CD1 3.33Å; L76-L80 WeakPolarHBondContact O-CG 3.26Å; L76-L80 PolarHBondContact O-N 3.06Å; H77-L80 PolarHBondContact O-N 2.78Å; D78-L80 VanDerWaalsContact C-N 3.34Å; L80-N82 VanDerWaalsContact C-N 3.29Å; L80-L83 HydrophobicContact CD2-CD2 4.23Å; L80-L83 WeakPolarHBondContact O-CB 3.31Å; L80-L83 PolarHBondContact O-N 2.83Å; L80-F93 HydrophobicContact CB-CE2 4.16Å; L80-F93 HydrophobicContact CD1-CE2 4.16Å; L80-F93 HydrophobicContact CD2-CD2 4.03Å; L80-F93 HydrophobicContact CD2-CE2 3.9Å; L80-F93 HydrophobicContact CG-CE2 4.31Å; L80-L97 HydrophobicContact CD1-CD2 4.17Å; L80-L126 HydrophobicContact CD2-CD1 3.6Å; L80-L126 HydrophobicContact CD2-CD2 3.9Å; L80-L126 HydrophobicContact CD2-CG 4.4Å; L80-L126 HydrophobicContact CG-CD1 4.33Å; L80-L126 HydrophobicContact CG-CD2 4.02Å
81	I	49.1	Very low	46.7	Very low	128 Å²	128	84.9 Å²	84.9	66%	0.656	46%	0.459	S	S	*	.	H	α-helix	trans	-69	-31.3	174.5	-70.5	162.4	0	0	0	110.8	H77 L83	H77-I81 WeakPolarHBondContact O-CB 3.36Å; H77-I81 WeakPolarHBondContact O-CD1 3.15Å; H77-I81 VanDerWaalsContact O-CG1 3.23Å; H77-I81 WeakPolarHBondContact O-CG1 3.41Å; H77-I81 PolarHBondContact O-N 3.17Å; I81-L83 VanDerWaalsContact C-N 3.28Å
82	N	40.3	Very low	48.1	Very low	140 Å²	140	78.9 Å²	78.9	75%	0.749	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	8.9	172.7	-73	-85	0	0	0	113.8	D78 L80	D78-N82 PolarHBondContact O-N 3.29Å; D78-N82 PolarHBondContact O-ND2 2.91Å; L80-N82 VanDerWaalsContact C-N 3.29Å
83	L	46.6	Very low	49.2	Very low	40 Å²	40	76.4 Å²	76.4	21%	0.209	42%	0.422	C	S	.	.	S	Bend	trans	-93.6	114.5	178.9	-164.1	63.9	0	0	0	109.9	L80 I81 T85 V88	L80-L83 HydrophobicContact CD2-CD2 4.23Å; L80-L83 WeakPolarHBondContact O-CB 3.31Å; L80-L83 PolarHBondContact O-N 2.83Å; I81-L83 VanDerWaalsContact C-N 3.28Å; L83-T85 PolarHBondContact O-N 2.8Å; L83-V88 HydrophobicContact CD2-CB 4.49Å; L83-V88 HydrophobicContact CD2-CG2 3.73Å; L83-V88 HydrophobicContact CG-CG2 4.31Å
84	D	41.5	Very low	50.2	Low	118 Å²	118	80.5 Å²	80.5	63%	0.631	44%	0.441	S	S	*	.			trans	-53.7	122.8	-173.5	-147.5	-10.3	0	0	0	111.6	D86 M87	D84-D86 PolarHBondContact O-N 3.21Å; D84-M87 PolarHBondContact O-N 3.42Å
85	T	45.5	Very low	51.3	Low	120 Å²	120	78 Å²	78	74%	0.736	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.1	-161.5	46.1	0	0	0	0	114.1	L83 M87	L83-T85 PolarHBondContact O-N 2.8Å; T85-M87 VanDerWaalsContact C-N 3.33Å
86	D	42.1	Very low	52.5	Low	151 Å²	151	74 Å²	74	81%	0.807	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-16.2	179.9	-67.6	-1.5	0	0	0	113.1	D84	D84-D86 PolarHBondContact O-N 3.21Å
87	M	44	Very low	53.3	Low	126 Å²	126	74.4 Å²	74.4	62%	0.621	41%	0.405	S	S	*	.	S	Bend	trans	-91.9	-15.8	-173.3	-76	-75.3	-75.8	0	0	114.5	D84 T85	D84-M87 PolarHBondContact O-N 3.42Å; T85-M87 VanDerWaalsContact C-N 3.33Å
88	V	53.3	Low	54.1	Low	24 Å²	24	72.9 Å²	72.9	15%	0.145	40%	0.399	C	S	.	.	S	Bend	trans	-136.5	107.8	-176.1	179.7	0	0	0	0	110.5	L83 V92 F93	L83-V88 HydrophobicContact CD2-CB 4.49Å; L83-V88 HydrophobicContact CD2-CG2 3.73Å; L83-V88 HydrophobicContact CG-CG2 4.31Å; V88-V92 HydrophobicContact CG1-CB 3.86Å; V88-V92 HydrophobicContact CG1-CG1 3.82Å; V88-F93 HydrophobicContact CG1-CB 4.15Å
89	S	60.4	Low	55.3	Low	67 Å²	67	69.3 Å²	69.3	47%	0.469	38%	0.379	S	S	.	.			trans	-59.4	146.7	173.1	63.8	0	0	0	0	111.2	T91 V92 F93	S89-T91 PolarHBondContact O-N 3.25Å; S89-T91 PolarHBondContact OG-OG1 3.12Å; S89-V92 PolarHBondContact O-N 2.91Å; S89-F93 PolarHBondContact O-N 3.12Å; S89-F93 VanDerWaalsContact O-N 3.11Å
90	S	56.8	Low	56.4	Low	97 Å²	97	67.5 Å²	67.5	68%	0.678	37%	0.369	S	S	*	.	H	α-helix	trans	-51.6	-32	-178.9	53.1	0	0	0	0	113.9	F93 Q94	S90-F93 PolarHBondContact O-N 2.8Å; S90-Q94 WeakPolarHBondContact O-CB 3.26Å; S90-Q94 PolarHBondContact O-N 3.49Å
91	T	61.8	Low	57	Low	68 Å²	68	74 Å²	74	42%	0.417	39%	0.394	S	S	.	.	H	α-helix	trans	-65.2	-38.8	173.9	51.5	0	0	0	0	113.9	S89 Q95	S89-T91 PolarHBondContact O-N 3.25Å; S89-T91 PolarHBondContact OG-OG1 3.12Å; T91-Q95 WeakPolarHBondContact O-CB 3.23Å; T91-Q95 WeakPolarHBondContact O-CG 3.19Å; T91-Q95 PolarHBondContact O-N 2.83Å; T91-Q95 VanDerWaalsContact O-N 3.09Å
92	V	65.2	Low	57.9	Low	6 Å²	6	71.2 Å²	71.2	4%	0.036	38%	0.383	C	S	.	.	H	α-helix	trans	-74.6	-37.7	177	174.8	0	0	0	0	110	V88 S89 Q95 I96 T118 L119	V88-V92 HydrophobicContact CG1-CB 3.86Å; V88-V92 HydrophobicContact CG1-CG1 3.82Å; S89-V92 PolarHBondContact O-N 2.91Å; V92-Q95 PolarHBondContact O-N 2.69Å; V92-I96 HydrophobicContact CG1-CD1 4.12Å; V92-I96 WeakPolarHBondContact O-CD1 3.5Å; V92-I96 VanDerWaalsContact O-CG1 3.28Å; V92-I96 WeakPolarHBondContact O-CG1 3.44Å; V92-I96 PolarHBondContact O-N 3.41Å; V92-T118 HydrophobicContact CG1-CG2 4.33Å; V92-T118 HydrophobicContact CG2-CG2 4.32Å; V92-L119 HydrophobicContact CG1-CD2 3.82Å; V92-L119 HydrophobicContact CG1-CG 4.23Å
93	F	62.8	Low	59.1	Low	75 Å²	75	66.9 Å²	66.9	33%	0.329	37%	0.371	S	S	.	.	H	α-helix	trans	-59.3	-48.7	171.6	-179.4	-90.1	0	0	0	111.5	L80 V88 S89 S90 Q95 I96 L97	L80-F93 HydrophobicContact CB-CE2 4.16Å; L80-F93 HydrophobicContact CD1-CE2 4.16Å; L80-F93 HydrophobicContact CD2-CD2 4.03Å; L80-F93 HydrophobicContact CD2-CE2 3.9Å; L80-F93 HydrophobicContact CG-CE2 4.31Å; V88-F93 HydrophobicContact CG1-CB 4.15Å; S89-F93 PolarHBondContact O-N 3.12Å; S89-F93 VanDerWaalsContact O-N 3.11Å; S90-F93 PolarHBondContact O-N 2.8Å; F93-Q95 PolarHBondContact O-N 3.41Å; F93-I96 WeakPolarHBondContact O-CB 3.28Å; F93-I96 PolarHBondContact O-N 3.46Å; F93-I96 VanDerWaalsContact O-N 3.16Å; F93-L97 HydrophobicContact CD1-CD1 4.03Å; F93-L97 HydrophobicContact CD1-CG 4.45Å; F93-L97 HydrophobicContact CE1-CD1 3.46Å; F93-L97 VanDerWaalsContact CE1-CD1 3.46Å; F93-L97 HydrophobicContact CE1-CG 4.15Å; F93-L97 HydrophobicContact CZ-CD1 4.08Å; F93-L97 PolarHBondContact O-N 3.02Å; F93-L97 VanDerWaalsContact O-N 3.1Å
94	Q	62.5	Low	60.1	Low	98 Å²	98	71.6 Å²	71.6	46%	0.458	39%	0.39	S	S	.	.	H	α-helix	trans	-59.6	-45.8	177.2	-168.9	62.2	48.2	0	0	111.7	S90 I96 L97 D98	S90-Q94 WeakPolarHBondContact O-CB 3.26Å; S90-Q94 PolarHBondContact O-N 3.49Å; Q94-I96 VanDerWaalsContact C-N 3.26Å; Q94-I96 PolarHBondContact O-N 2.56Å; Q94-L97 PolarHBondContact O-N 3.27Å; Q94-L97 VanDerWaalsContact O-N 3.12Å; Q94-D98 PolarHBondContact NE2-OD1 3.19Å; Q94-D98 PolarHBondContact O-N 3.42Å
95	Q	67.8	Low	61.2	Low	17 Å²	17	67.9 Å²	67.9	8%	0.079	37%	0.37	C	S	.	.	H	α-helix	trans	-61.8	-30.4	177	-73.9	167.1	12.1	0	0	113.6	T91 V92 F93 F99 L105 L119	T91-Q95 WeakPolarHBondContact O-CB 3.23Å; T91-Q95 WeakPolarHBondContact O-CG 3.19Å; T91-Q95 PolarHBondContact O-N 2.83Å; T91-Q95 VanDerWaalsContact O-N 3.09Å; V92-Q95 PolarHBondContact O-N 2.69Å; F93-Q95 PolarHBondContact O-N 3.41Å; Q95-F99 WeakPolarHBondContact O-CB 3.3Å; Q95-F99 PolarHBondContact O-N 3.05Å; Q95-F99 VanDerWaalsContact O-N 3.14Å; Q95-L105 HydrophobicContact CB-CD2 4.12Å; Q95-L105 WeakPolarHBondContact O-CD2 3.21Å; Q95-L119 HydrophobicContact CB-CD2 4.13Å
96	I	68.7	Low	61.6	Low	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-70.3	-45.3	173.4	-69.8	162	0	0	0	110.4	V92 F93 Q94 F99 I100 L119 A122 L126 L128 L131	V92-I96 HydrophobicContact CG1-CD1 4.12Å; V92-I96 WeakPolarHBondContact O-CD1 3.5Å; V92-I96 VanDerWaalsContact O-CG1 3.28Å; V92-I96 WeakPolarHBondContact O-CG1 3.44Å; V92-I96 PolarHBondContact O-N 3.41Å; F93-I96 WeakPolarHBondContact O-CB 3.28Å; F93-I96 PolarHBondContact O-N 3.46Å; F93-I96 VanDerWaalsContact O-N 3.16Å; Q94-I96 VanDerWaalsContact C-N 3.26Å; Q94-I96 PolarHBondContact O-N 2.56Å; I96-F99 PolarHBondContact O-N 3.46Å; I96-I100 HydrophobicContact CG2-CD1 3.76Å; I96-I100 WeakPolarHBondContact O-CD1 3.13Å; I96-I100 VanDerWaalsContact O-CG1 3.26Å; I96-I100 WeakPolarHBondContact O-CG1 3.48Å; I96-I100 PolarHBondContact O-N 3.29Å; I96-L119 HydrophobicContact CD1-CD2 4.5Å; I96-L119 HydrophobicContact CG1-CD2 3.93Å; I96-A122 HydrophobicContact CD1-CB 3.72Å; I96-L126 HydrophobicContact CD1-CD1 4.17Å; I96-L126 HydrophobicContact CG2-CD1 4.09Å; I96-L128 HydrophobicContact CG2-CD1 4.18Å; I96-L131 HydrophobicContact CG1-CD2 4.09Å
97	L	65.4	Low	62.1	Low	25 Å²	25	64.7 Å²	64.7	13%	0.131	35%	0.354	C	S	.	.	H	α-helix	trans	-62.4	-47.1	175.5	-66	-176.2	0	0	0	111.8	L80 F93 Q94 F99 I100 Y101	L80-L97 HydrophobicContact CD1-CD2 4.17Å; F93-L97 HydrophobicContact CD1-CD1 4.03Å; F93-L97 HydrophobicContact CD1-CG 4.45Å; F93-L97 HydrophobicContact CE1-CD1 3.46Å; F93-L97 VanDerWaalsContact CE1-CD1 3.46Å; F93-L97 HydrophobicContact CE1-CG 4.15Å; F93-L97 HydrophobicContact CZ-CD1 4.08Å; F93-L97 PolarHBondContact O-N 3.02Å; F93-L97 VanDerWaalsContact O-N 3.1Å; Q94-L97 PolarHBondContact O-N 3.27Å; Q94-L97 VanDerWaalsContact O-N 3.12Å; L97-F99 VanDerWaalsContact C-N 3.25Å; L97-F99 PolarHBondContact O-N 3.31Å; L97-I100 PolarHBondContact O-N 2.9Å; L97-Y101 HydrophobicContact CB-CD2 4.38Å; L97-Y101 HydrophobicContact CB-CE2 4.49Å; L97-Y101 HydrophobicContact CD2-CE2 4.43Å; L97-Y101 VanDerWaalsContact O-CD2 3.26Å; L97-Y101 WeakPolarHBondContact O-CD2 3.2Å; L97-Y101 PolarHBondContact O-N 3.44Å
98	D	66.3	Low	62.1	Low	43 Å²	43	61.5 Å²	61.5	23%	0.23	34%	0.344	C	S	.	.	H	α-helix	trans	-59.4	-38	178.8	-61.7	-18.1	0	0	0	111.1	Q94 T102	Q94-D98 PolarHBondContact NE2-OD1 3.19Å; Q94-D98 PolarHBondContact O-N 3.42Å; D98-T102 VanDerWaalsContact O-CB 3.31Å; D98-T102 WeakPolarHBondContact O-CB 3.23Å; D98-T102 WeakPolarHBondContact O-CG2 3.45Å; D98-T102 PolarHBondContact O-N 2.87Å; D98-T102 PolarHBondContact O-OG1 2.91Å
99	F	70.1	Confident	61.5	Low	21 Å²	21	68.2 Å²	68.2	9%	0.092	38%	0.379	C	S	.	.	H	α-helix	trans	-66.4	-41.6	172.6	179.8	-94.6	0	0	0	112.8	Q95 I96 L97 G103 K104 L105 E130 L131 L134	Q95-F99 WeakPolarHBondContact O-CB 3.3Å; Q95-F99 PolarHBondContact O-N 3.05Å; Q95-F99 VanDerWaalsContact O-N 3.14Å; I96-F99 PolarHBondContact O-N 3.46Å; L97-F99 VanDerWaalsContact C-N 3.25Å; L97-F99 PolarHBondContact O-N 3.31Å; F99-G103 WeakPolarHBondContact CE2-O 2.99Å; F99-G103 WeakPolarHBondContact O-CA 3.12Å; F99-G103 PolarHBondContact O-N 2.97Å; F99-K104 WeakPolarHBondContact CA-O 3.39Å; F99-L105 HydrophobicContact CB-CD2 4.06Å; F99-L105 HydrophobicContact CB-CG 4.5Å; F99-L105 HydrophobicContact CD2-CG 4.3Å; F99-E130 HydrophobicContact CZ-CB 4.36Å; F99-L131 HydrophobicContact CB-CD1 4.32Å; F99-L131 HydrophobicContact CD1-CB 3.8Å; F99-L131 HydrophobicContact CD1-CD1 3.95Å; F99-L131 HydrophobicContact CD1-CD2 4.16Å; F99-L131 HydrophobicContact CD1-CG 4.17Å; F99-L131 HydrophobicContact CD2-CD1 4.05Å; F99-L131 HydrophobicContact CE1-CB 3.62Å; F99-L131 HydrophobicContact CE1-CD1 4.34Å; F99-L131 HydrophobicContact CE1-CG 4.44Å; F99-L131 HydrophobicContact CE2-CD1 4.44Å; F99-L131 HydrophobicContact CG-CD1 3.8Å; F99-L131 HydrophobicContact CG-CG 4.5Å; F99-L131 HydrophobicContact CZ-CB 4.2Å; F99-L134 HydrophobicContact CD2-CD1 4.27Å; F99-L134 HydrophobicContact CE2-CD1 3.66Å
100	I	66.4	Low	60.7	Low	40 Å²	40	71.3 Å²	71.3	21%	0.205	39%	0.386	C	S	.	.	H	α-helix	trans	-63.8	-43.6	178.5	-69.5	159.5	0	0	0	111	L76 I96 L97 L128	L76-I100 HydrophobicContact CD1-CD1 3.86Å; L76-I100 HydrophobicContact CD1-CG1 4.24Å; I96-I100 HydrophobicContact CG2-CD1 3.76Å; I96-I100 WeakPolarHBondContact O-CD1 3.13Å; I96-I100 VanDerWaalsContact O-CG1 3.26Å; I96-I100 WeakPolarHBondContact O-CG1 3.48Å; I96-I100 PolarHBondContact O-N 3.29Å; L97-I100 PolarHBondContact O-N 2.9Å; I100-L128 HydrophobicContact CD1-CD1 4.45Å
101	Y	60.1	Low	59.9	Low	151 Å²	151	73.2 Å²	73.2	59%	0.592	40%	0.397	S	S	*	.	H	α-helix	trans	-83.7	-31.4	-176.4	-72.5	-68.2	0	0	0	114.3	L97	L97-Y101 HydrophobicContact CB-CD2 4.38Å; L97-Y101 HydrophobicContact CB-CE2 4.49Å; L97-Y101 HydrophobicContact CD2-CE2 4.43Å; L97-Y101 VanDerWaalsContact O-CD2 3.26Å; L97-Y101 WeakPolarHBondContact O-CD2 3.2Å; L97-Y101 PolarHBondContact O-N 3.44Å
102	T	67.8	Low	59.3	Low	68 Å²	68	73.6 Å²	73.6	42%	0.417	41%	0.407	S	S	.	.	H	α-helix	trans	-109.1	-9.2	-175.7	76.2	0	0	0	0	114.6	D98 K104 L106	D98-T102 VanDerWaalsContact O-CB 3.31Å; D98-T102 WeakPolarHBondContact O-CB 3.23Å; D98-T102 WeakPolarHBondContact O-CG2 3.45Å; D98-T102 PolarHBondContact O-N 2.87Å; D98-T102 PolarHBondContact O-OG1 2.91Å; T102-K104 PolarHBondContact O-N 3.32Å; T102-K104 PolarHBondContact OG1-N 3Å; T102-K104 PolarHBondContact OG1-O 3.3Å; T102-K104 VanDerWaalsContact OG1-O 3.05Å; T102-L106 HydrophobicContact CG2-CD1 4.44Å
103	G	66.6	Low	58.8	Low	50 Å²	50	81 Å²	81	52%	0.515	44%	0.441	S	S	.	.	S	Bend	trans	68.3	6.9	-171.3	0	0	0	0	0	114.4	F99	F99-G103 WeakPolarHBondContact CE2-O 2.99Å; F99-G103 WeakPolarHBondContact O-CA 3.12Å; F99-G103 PolarHBondContact O-N 2.97Å
104	K	66.4	Low	58.6	Low	139 Å²	139	79.4 Å²	79.4	60%	0.604	44%	0.438	S	S	*	.	S	Bend	trans	-134.5	138.9	-172.9	-63.9	171.1	-174.4	169.4	0	110.1	F99 T102 L106	F99-K104 WeakPolarHBondContact CA-O 3.39Å; T102-K104 PolarHBondContact O-N 3.32Å; T102-K104 PolarHBondContact OG1-N 3Å; T102-K104 PolarHBondContact OG1-O 3.3Å; T102-K104 VanDerWaalsContact OG1-O 3.05Å; K104-L106 PolarHBondContact O-N 2.88Å
105	L	66.2	Low	59	Low	39 Å²	39	79.6 Å²	79.6	20%	0.204	44%	0.442	C	S	.	.			trans	-76.2	101	159	-72.6	173.5	0	0	0	106.9	Q95 F99 F116 L119 L131 L134	Q95-L105 HydrophobicContact CB-CD2 4.12Å; Q95-L105 WeakPolarHBondContact O-CD2 3.21Å; F99-L105 HydrophobicContact CB-CD2 4.06Å; F99-L105 HydrophobicContact CB-CG 4.5Å; F99-L105 HydrophobicContact CD2-CG 4.3Å; L105-F116 HydrophobicContact CD1-CD1 4.47Å; L105-F116 HydrophobicContact CD1-CE1 3.91Å; L105-L119 HydrophobicContact CD1-CD1 4.21Å; L105-L119 HydrophobicContact CD2-CD1 4.45Å; L105-L131 HydrophobicContact CD1-CD1 4.13Å; L105-L131 HydrophobicContact CD2-CD1 4.21Å; L105-L131 HydrophobicContact CG-CD1 4.23Å; L105-L134 HydrophobicContact CD1-CD2 3.79Å
106	L	53.8	Low	59.4	Low	88 Å²	88	80.1 Å²	80.1	46%	0.461	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-65.4	146.3	167.9	-65	175.1	0	0	0	109.2	T102 K104 S108	T102-L106 HydrophobicContact CG2-CD1 4.44Å; K104-L106 PolarHBondContact O-N 2.88Å; L106-S108 PolarHBondContact O-N 3.45Å
107	P	51.4	Low	59.6	Low	116 Å²	116	83 Å²	83	75%	0.753	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-60.3	130.6	163.3	-15.3	30.1	0	0	0	108.5
108	S	44	Very low	60	Low	59 Å²	59	84.2 Å²	84.2	41%	0.413	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-78.3	141.1	163.8	-174.1	0	0	0	0	107.8	L106 Q110	L106-S108 PolarHBondContact O-N 3.45Å; S108-Q110 PolarHBondContact O-N 2.94Å
109	D	41.8	Very low	60.4	Low	165 Å²	165	82.1 Å²	82.1	88%	0.882	46%	0.462	S	S	*	.	S	Bend	trans	-72	35.3	179.2	-63.1	-58.6	0	0	0	113.6
110	Q	43.9	Very low	60.9	Low	132 Å²	132	82.7 Å²	82.7	62%	0.617	47%	0.466	S	S	*	.	S	Bend	trans	-116.8	136.8	175.7	-75.1	-76.8	-62.5	0	0	108.6	S108 A112	S108-Q110 PolarHBondContact O-N 2.94Å; Q110-A112 PolarHBondContact O-N 3.14Å
111	P	38.9	Very low	61.3	Low	138 Å²	138	84.2 Å²	84.2	90%	0.896	48%	0.477	S	S	*	.	S	Bend	trans	-74	13.8	-172.8	31.4	-37.4	0	0	0	115
112	A	49.6	Very low	61.8	Low	76 Å²	76	77.3 Å²	77.3	63%	0.628	45%	0.451	S	S	*	.	S	Bend	trans	-99.8	123.7	175.7	0	0	0	0	0	109.9	Q110	Q110-A112 PolarHBondContact O-N 3.14Å
113	E	54.1	Low	62.1	Low	161 Å²	161	74 Å²	74	75%	0.752	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-56.8	139.3	173.2	-70.7	-157.1	140.4	0	0	110.6	N115	E113-N115 PolarHBondContact O-N 2.87Å
114	P	59.7	Low	62.5	Low	41 Å²	41	74.7 Å²	74.7	27%	0.266	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-61.9	122.7	177	26	-34.3	0	0	0	109.6	F116 L119	P114-F116 VanDerWaalsContact C-N 3.3Å; P114-F116 HydrophobicContact CG-CE1 4.11Å; P114-F116 HydrophobicContact CG-CE2 4.01Å; P114-F116 HydrophobicContact CG-CZ 3.66Å; P114-F116 VanDerWaalsContact O-CD2 3.24Å; P114-F116 WeakPolarHBondContact O-CD2 3.27Å; P114-F116 PolarHBondContact O-N 3.44Å; P114-L119 HydrophobicContact CB-CD1 3.97Å
115	N	70.9	Confident	62.5	Low	102 Å²	102	75.6 Å²	75.6	55%	0.545	43%	0.429	S	S	.	.			trans	-64.3	87.5	-179.2	-81.8	-48.8	0	0	0	110.7	E113 S117 T118 L119	E113-N115 PolarHBondContact O-N 2.87Å; N115-S117 PolarHBondContact O-N 2.9Å; N115-T118 PolarHBondContact O-N 3.37Å; N115-L119 PolarHBondContact O-N 2.78Å
116	F	75.9	Confident	62.6	Low	28 Å²	28	74.3 Å²	74.3	12%	0.123	42%	0.422	C	S	.	.	H	α-helix	trans	-60.8	-18.9	-177.5	-68.1	-68.9	0	0	0	113.3	L105 P114 L119 L120 K138 L139	L105-F116 HydrophobicContact CD1-CD1 4.47Å; L105-F116 HydrophobicContact CD1-CE1 3.91Å; P114-F116 VanDerWaalsContact C-N 3.3Å; P114-F116 HydrophobicContact CG-CE1 4.11Å; P114-F116 HydrophobicContact CG-CE2 4.01Å; P114-F116 HydrophobicContact CG-CZ 3.66Å; P114-F116 VanDerWaalsContact O-CD2 3.24Å; P114-F116 WeakPolarHBondContact O-CD2 3.27Å; P114-F116 PolarHBondContact O-N 3.44Å; F116-L119 HydrophobicContact CD1-CD1 4.3Å; F116-L120 WeakPolarHBondContact O-CB 3.02Å; F116-L120 PolarHBondContact O-N 3.34Å; F116-K138 HydrophobicContact CD1-CB 3.78Å; F116-K138 HydrophobicContact CD1-CG 4.18Å; F116-K138 HydrophobicContact CD2-CB 4.12Å; F116-K138 HydrophobicContact CE1-CB 3.77Å; F116-K138 HydrophobicContact CE1-CD 4.11Å; F116-K138 HydrophobicContact CE1-CG 3.67Å; F116-K138 HydrophobicContact CE2-CB 4.1Å; F116-K138 HydrophobicContact CE2-CD 4.24Å; F116-K138 HydrophobicContact CE2-CG 4.41Å; F116-K138 HydrophobicContact CG-CB 3.97Å; F116-K138 HydrophobicContact CZ-CB 3.93Å; F116-K138 HydrophobicContact CZ-CD 3.71Å; F116-K138 HydrophobicContact CZ-CG 3.81Å; F116-L139 HydrophobicContact CB-CD1 4.23Å
117	S	71.5	Confident	63.7	Low	62 Å²	62	78 Å²	78	43%	0.434	44%	0.437	S	S	.	.	H	α-helix	trans	-66.6	-57	166.9	45	0	0	0	0	111.5	N115 L119 L120 T121	N115-S117 PolarHBondContact O-N 2.9Å; S117-L119 PolarHBondContact O-N 3.29Å; S117-L120 WeakPolarHBondContact O-CB 3.49Å; S117-L120 PolarHBondContact O-N 3.33Å; S117-L120 VanDerWaalsContact O-N 3.1Å; S117-T121 PolarHBondContact O-N 2.94Å; S117-T121 PolarHBondContact O-OG1 3.34Å
118	T	73.9	Confident	64.8	Low	49 Å²	49	73.8 Å²	73.8	30%	0.301	41%	0.408	S	S	.	.	H	α-helix	trans	-60.6	-43.9	178.3	-45.7	0	0	0	0	111.7	V92 N115 L120 T121 A122	V92-T118 HydrophobicContact CG1-CG2 4.33Å; V92-T118 HydrophobicContact CG2-CG2 4.32Å; N115-T118 PolarHBondContact O-N 3.37Å; T118-L120 VanDerWaalsContact C-N 3.33Å; T118-L120 PolarHBondContact O-N 2.87Å; T118-T121 PolarHBondContact O-N 2.87Å; T118-A122 WeakPolarHBondContact O-CB 3.48Å; T118-A122 PolarHBondContact O-N 2.79Å
119	L	75.9	Confident	66.1	Low	0 Å²	0	75.4 Å²	75.4	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-61.3	-37.8	173.1	-77.8	167	0	0	0	112.4	V92 Q95 I96 L105 P114 N115 F116 S117 A123	V92-L119 HydrophobicContact CG1-CD2 3.82Å; V92-L119 HydrophobicContact CG1-CG 4.23Å; Q95-L119 HydrophobicContact CB-CD2 4.13Å; I96-L119 HydrophobicContact CD1-CD2 4.5Å; I96-L119 HydrophobicContact CG1-CD2 3.93Å; L105-L119 HydrophobicContact CD1-CD1 4.21Å; L105-L119 HydrophobicContact CD2-CD1 4.45Å; P114-L119 HydrophobicContact CB-CD1 3.97Å; N115-L119 PolarHBondContact O-N 2.78Å; F116-L119 HydrophobicContact CD1-CD1 4.3Å; S117-L119 PolarHBondContact O-N 3.29Å; L119-A123 WeakPolarHBondContact O-CB 3.13Å; L119-A123 PolarHBondContact O-N 2.83Å
120	L	80	Confident	67.8	Low	32 Å²	32	74.4 Å²	74.4	17%	0.168	41%	0.407	C	S	.	.	H	α-helix	trans	-68.6	-39.3	176.5	176.5	57.5	0	0	0	111.8	F116 S117 T118 S124 A132 C135 R136	F116-L120 WeakPolarHBondContact O-CB 3.02Å; F116-L120 PolarHBondContact O-N 3.34Å; S117-L120 WeakPolarHBondContact O-CB 3.49Å; S117-L120 PolarHBondContact O-N 3.33Å; S117-L120 VanDerWaalsContact O-N 3.1Å; T118-L120 VanDerWaalsContact C-N 3.33Å; T118-L120 PolarHBondContact O-N 2.87Å; L120-S124 WeakPolarHBondContact O-CB 3.41Å; L120-S124 PolarHBondContact O-N 3.1Å; L120-S124 PolarHBondContact O-OG 3.05Å; L120-A132 HydrophobicContact CD1-CB 3.75Å; L120-A132 WeakPolarHBondContact CD1-O 3.48Å; L120-C135 HydrophobicContact CB-CB 3.92Å; L120-C135 HydrophobicContact CD1-CB 4.39Å; L120-R136 HydrophobicContact CD1-CG 3.73Å; L120-R136 HydrophobicContact CD2-CG 3.67Å; L120-R136 HydrophobicContact CG-CG 4.39Å
121	T	74.1	Confident	69.3	Low	73 Å²	73	68.1 Å²	68.1	45%	0.448	38%	0.377	S	S	.	.	H	α-helix	trans	-62	-54.9	173.8	-60.7	0	0	0	0	110.3	S117 T118 A123 S124 Y125	S117-T121 PolarHBondContact O-N 2.94Å; S117-T121 PolarHBondContact O-OG1 3.34Å; T118-T121 PolarHBondContact O-N 2.87Å; T121-A123 PolarHBondContact O-N 2.82Å; T121-S124 WeakPolarHBondContact O-CA 3.42Å; T121-S124 WeakPolarHBondContact O-CB 3.37Å; T121-S124 PolarHBondContact O-N 3.27Å; T121-Y125 HydrophobicContact CG2-CD2 3.88Å; T121-Y125 HydrophobicContact CG2-CE2 3.66Å; T121-Y125 WeakPolarHBondContact O-CD2 3.5Å; T121-Y125 PolarHBondContact O-N 3.06Å
122	A	70.5	Confident	71.3	Confident	5 Å²	5	61.6 Å²	61.6	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-58.7	-44.5	178.7	0	0	0	0	0	112.5	I96 T118 S124 Y125 L126	I96-A122 HydrophobicContact CD1-CB 3.72Å; T118-A122 WeakPolarHBondContact O-CB 3.48Å; T118-A122 PolarHBondContact O-N 2.79Å; A122-S124 PolarHBondContact O-N 3.02Å; A122-Y125 PolarHBondContact O-N 3.32Å; A122-L126 WeakPolarHBondContact O-CB 3.47Å; A122-L126 WeakPolarHBondContact O-CG 3.47Å; A122-L126 PolarHBondContact O-N 2.95Å
123	A	74.3	Confident	72.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65	-21.7	175.2	0	0	0	0	0	113.8	L119 T121 Q127 L128 L131 A132	L119-A123 WeakPolarHBondContact O-CB 3.13Å; L119-A123 PolarHBondContact O-N 2.83Å; T121-A123 PolarHBondContact O-N 2.82Å; A123-Q127 PolarHBondContact O-N 3.36Å; A123-L128 HydrophobicContact CB-CB 4.23Å; A123-L128 PolarHBondContact O-N 2.86Å; A123-L131 HydrophobicContact CB-CB 3.99Å; A123-L131 HydrophobicContact CB-CD2 3.81Å; A123-L131 HydrophobicContact CB-CG 3.72Å; A123-A132 HydrophobicContact CB-CB 3.96Å
124	S	74.6	Confident	74	Confident	64 Å²	64	53.8 Å²	53.8	45%	0.448	29%	0.292	S	S	.	.	H	α-helix	trans	-82	-38.7	174.5	-57.2	0	0	0	0	111.6	L120 T121 A122 Q127	L120-S124 WeakPolarHBondContact O-CB 3.41Å; L120-S124 PolarHBondContact O-N 3.1Å; L120-S124 PolarHBondContact O-OG 3.05Å; T121-S124 WeakPolarHBondContact O-CA 3.42Å; T121-S124 WeakPolarHBondContact O-CB 3.37Å; T121-S124 PolarHBondContact O-N 3.27Å; A122-S124 PolarHBondContact O-N 3.02Å; S124-Q127 PolarHBondContact O-N 2.76Å
125	Y	66.7	Low	75	Confident	158 Å²	158	51.8 Å²	51.8	62%	0.62	28%	0.28	S	S	*	.	H	α-helix	trans	-64.1	-47.5	171.2	-82	-77.8	0	0	0	112	T121 A122 Q127	T121-Y125 HydrophobicContact CG2-CD2 3.88Å; T121-Y125 HydrophobicContact CG2-CE2 3.66Å; T121-Y125 WeakPolarHBondContact O-CD2 3.5Å; T121-Y125 PolarHBondContact O-N 3.06Å; A122-Y125 PolarHBondContact O-N 3.32Å; Y125-Q127 PolarHBondContact O-N 3.06Å; Y125-Q127 VanDerWaalsContact O-N 3.17Å
126	L	69.7	Low	75.5	Confident	11 Å²	11	52.4 Å²	52.4	6%	0.058	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	5.2	179.5	-62.8	170.8	0	0	0	114	L76 N79 L80 I96 A122 L128	L76-L126 HydrophobicContact CD2-CB 4.19Å; N79-L126 HydrophobicContact CB-CD2 4Å; L80-L126 HydrophobicContact CD2-CD1 3.6Å; L80-L126 HydrophobicContact CD2-CD2 3.9Å; L80-L126 HydrophobicContact CD2-CG 4.4Å; L80-L126 HydrophobicContact CG-CD1 4.33Å; L80-L126 HydrophobicContact CG-CD2 4.02Å; I96-L126 HydrophobicContact CD1-CD1 4.17Å; I96-L126 HydrophobicContact CG2-CD1 4.09Å; A122-L126 WeakPolarHBondContact O-CB 3.47Å; A122-L126 WeakPolarHBondContact O-CG 3.47Å; A122-L126 PolarHBondContact O-N 2.95Å; L126-L128 VanDerWaalsContact C-N 3.29Å; L126-L128 HydrophobicContact CB-CD1 4.09Å; L126-L128 HydrophobicContact CB-CG 4.13Å; L126-L128 HydrophobicContact CD1-CD1 4.4Å; L126-L128 PolarHBondContact O-N 2.93Å
127	Q	75.3	Confident	75.7	Confident	166 Å²	166	58.1 Å²	58.1	78%	0.776	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	43.4	179.7	-52.8	-174.4	27.9	0	0	113.7	A123 S124 Y125 P129	A123-Q127 PolarHBondContact O-N 3.36Å; S124-Q127 PolarHBondContact O-N 2.76Å; Y125-Q127 PolarHBondContact O-N 3.06Å; Y125-Q127 VanDerWaalsContact O-N 3.17Å; Q127-P129 WeakPolarHBondContact O-CD 3.45Å
128	L	75.1	Confident	76	Confident	28 Å²	28	60.2 Å²	60.2	15%	0.147	30%	0.296	C	S	.	.			trans	-98.4	83.7	178.4	-70.4	174.1	0	0	0	110.7	L76 I96 I100 A123 L126 E130 L131 A132	L76-L128 HydrophobicContact CD1-CD2 3.84Å; L76-L128 HydrophobicContact CD2-CD1 4.22Å; L76-L128 HydrophobicContact CD2-CD2 3.78Å; L76-L128 HydrophobicContact CD2-CG 3.99Å; L76-L128 HydrophobicContact CG-CD2 4.46Å; I96-L128 HydrophobicContact CG2-CD1 4.18Å; I100-L128 HydrophobicContact CD1-CD1 4.45Å; A123-L128 HydrophobicContact CB-CB 4.23Å; A123-L128 PolarHBondContact O-N 2.86Å; L126-L128 VanDerWaalsContact C-N 3.29Å; L126-L128 HydrophobicContact CB-CD1 4.09Å; L126-L128 HydrophobicContact CB-CG 4.13Å; L126-L128 HydrophobicContact CD1-CD1 4.4Å; L126-L128 PolarHBondContact O-N 2.93Å; L128-E130 VanDerWaalsContact C-N 3.28Å; L128-E130 PolarHBondContact O-N 2.88Å; L128-L131 HydrophobicContact CB-CB 4.04Å; L128-L131 HydrophobicContact CD1-CD2 4.02Å; L128-L131 PolarHBondContact O-N 3.36Å; L128-A132 VanDerWaalsContact O-CB 3.31Å; L128-A132 WeakPolarHBondContact O-CB 3.49Å; L128-A132 PolarHBondContact O-N 3.16Å
129	P	72.3	Confident	76.1	Confident	93 Å²	93	61.9 Å²	61.9	60%	0.604	30%	0.303	S	S	*	.	H	α-helix	trans	-62.8	-33.2	-171.8	25.9	-36.6	0	0	0	113.2	Q127 A133	Q127-P129 WeakPolarHBondContact O-CD 3.45Å; P129-A133 WeakPolarHBondContact O-CB 3.45Å; P129-A133 PolarHBondContact O-N 2.79Å
130	E	76.6	Confident	76.1	Confident	143 Å²	143	70.3 Å²	70.3	67%	0.668	34%	0.34	S	S	*	.	H	α-helix	trans	-71.6	-47.9	-178.9	-65.6	-179.3	-160.8	0	0	112.1	F99 L128 A133 L134	F99-E130 HydrophobicContact CZ-CB 4.36Å; L128-E130 VanDerWaalsContact C-N 3.28Å; L128-E130 PolarHBondContact O-N 2.88Å; E130-A133 CarbonylContact O-C 3.52Å; E130-A133 PolarHBondContact O-N 2.98Å; E130-L134 WeakPolarHBondContact O-CB 3.37Å; E130-L134 PolarHBondContact O-N 2.84Å
131	L	76.2	Confident	75.6	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-61.1	-47.2	173.5	-179.3	54.3	0	0	0	110.2	I96 F99 L105 A123 L128 A133 L134 C135	I96-L131 HydrophobicContact CG1-CD2 4.09Å; F99-L131 HydrophobicContact CB-CD1 4.32Å; F99-L131 HydrophobicContact CD1-CB 3.8Å; F99-L131 HydrophobicContact CD1-CD1 3.95Å; F99-L131 HydrophobicContact CD1-CD2 4.16Å; F99-L131 HydrophobicContact CD1-CG 4.17Å; F99-L131 HydrophobicContact CD2-CD1 4.05Å; F99-L131 HydrophobicContact CE1-CB 3.62Å; F99-L131 HydrophobicContact CE1-CD1 4.34Å; F99-L131 HydrophobicContact CE1-CG 4.44Å; F99-L131 HydrophobicContact CE2-CD1 4.44Å; F99-L131 HydrophobicContact CG-CD1 3.8Å; F99-L131 HydrophobicContact CG-CG 4.5Å; F99-L131 HydrophobicContact CZ-CB 4.2Å; L105-L131 HydrophobicContact CD1-CD1 4.13Å; L105-L131 HydrophobicContact CD2-CD1 4.21Å; L105-L131 HydrophobicContact CG-CD1 4.23Å; A123-L131 HydrophobicContact CB-CB 3.99Å; A123-L131 HydrophobicContact CB-CD2 3.81Å; A123-L131 HydrophobicContact CB-CG 3.72Å; L128-L131 HydrophobicContact CB-CB 4.04Å; L128-L131 HydrophobicContact CD1-CD2 4.02Å; L128-L131 PolarHBondContact O-N 3.36Å; L131-A133 VanDerWaalsContact C-N 3.29Å; L131-A133 PolarHBondContact O-N 3.49Å; L131-L134 WeakPolarHBondContact O-CB 3.48Å; L131-L134 PolarHBondContact O-N 3.35Å; L131-C135 PolarHBondContact O-N 2.86Å; L131-C135 PolarHBondContact O-SG 2.86Å; L131-C135 VanDerWaalsContact O-SG 3.32Å
132	A	80.4	Confident	75.1	Confident	2 Å²	2	79 Å²	79	2%	0.017	38%	0.378	C	S	.	.	H	α-helix	trans	-61.4	-36.7	176.4	0	0	0	0	0	112	L120 A123 L128 R136	L120-A132 HydrophobicContact CD1-CB 3.75Å; L120-A132 WeakPolarHBondContact CD1-O 3.48Å; A123-A132 HydrophobicContact CB-CB 3.96Å; L128-A132 VanDerWaalsContact O-CB 3.31Å; L128-A132 WeakPolarHBondContact O-CB 3.49Å; L128-A132 PolarHBondContact O-N 3.16Å; A132-R136 VanDerWaalsContact CB-NH2 3.27Å; A132-R136 VanDerWaalsContact O-CB 3.31Å; A132-R136 WeakPolarHBondContact O-CB 3.47Å; A132-R136 VanDerWaalsContact O-CG 3.25Å; A132-R136 WeakPolarHBondContact O-CG 3.17Å; A132-R136 PolarHBondContact O-N 3.49Å; A132-R136 PolarHBondContact O-NE 3.46Å; A132-R136 VanDerWaalsContact O-NE 3.11Å
133	A	80.6	Confident	74	Confident	34 Å²	34	81.1 Å²	81.1	28%	0.281	40%	0.401	S	S	.	.	H	α-helix	trans	-71.2	-30.7	173.1	0	0	0	0	0	113.2	P129 E130 L131 R137	P129-A133 WeakPolarHBondContact O-CB 3.45Å; P129-A133 PolarHBondContact O-N 2.79Å; E130-A133 CarbonylContact O-C 3.52Å; E130-A133 PolarHBondContact O-N 2.98Å; L131-A133 VanDerWaalsContact C-N 3.29Å; L131-A133 PolarHBondContact O-N 3.49Å; A133-R137 WeakPolarHBondContact O-CB 3.22Å; A133-R137 VanDerWaalsContact O-CG 3.26Å; A133-R137 WeakPolarHBondContact O-CG 3.28Å; A133-R137 PolarHBondContact O-N 3.45Å; A133-R137 VanDerWaalsContact O-N 3.15Å; A133-R137 PolarHBondContact O-NE 2.98Å
134	L	80.3	Confident	72.2	Confident	38 Å²	38	90.8 Å²	90.8	20%	0.199	44%	0.443	C	S	.	.	H	α-helix	trans	-69.3	-50.9	172.1	-168	164.5	0	0	0	110.4	F99 L105 E130 L131 R136 R137 K138	F99-L134 HydrophobicContact CD2-CD1 4.27Å; F99-L134 HydrophobicContact CE2-CD1 3.66Å; L105-L134 HydrophobicContact CD1-CD2 3.79Å; E130-L134 WeakPolarHBondContact O-CB 3.37Å; E130-L134 PolarHBondContact O-N 2.84Å; L131-L134 WeakPolarHBondContact O-CB 3.48Å; L131-L134 PolarHBondContact O-N 3.35Å; L134-R136 PolarHBondContact O-N 3.43Å; L134-R137 CarbonylContact O-C 3.6Å; L134-R137 WeakPolarHBondContact O-CA 3.27Å; L134-R137 WeakPolarHBondContact O-CB 3.43Å; L134-R137 PolarHBondContact O-N 3.01Å; L134-K138 HydrophobicContact CD2-CG 3.88Å; L134-K138 PolarHBondContact O-N 3.16Å
135	C	80.7	Confident	70.5	Confident	0 Å²	0	93 Å²	93	0%	0	46%	0.456	C	S	.	.	H	α-helix	trans	-58.9	-44.4	177	-63.5	0	0	0	0	111.6	L120 L131 R137 K138 L139	L120-C135 HydrophobicContact CB-CB 3.92Å; L120-C135 HydrophobicContact CD1-CB 4.39Å; L131-C135 PolarHBondContact O-N 2.86Å; L131-C135 PolarHBondContact O-SG 2.86Å; L131-C135 VanDerWaalsContact O-SG 3.32Å; C135-R137 VanDerWaalsContact C-N 3.29Å; C135-R137 PolarHBondContact O-N 3.13Å; C135-K138 PolarHBondContact O-N 3.29Å; C135-L139 WeakPolarHBondContact O-CB 3.15Å; C135-L139 PolarHBondContact O-N 3.13Å
136	R	80.4	Confident	68.8	Low	114 Å²	114	95.2 Å²	95.2	43%	0.43	47%	0.469	S	S	.	.	H	α-helix	trans	-59.2	-35.2	172	-76.5	178.5	-70.8	-114.4	3.1	113.2	L120 A132 L134 K140	L120-R136 HydrophobicContact CD1-CG 3.73Å; L120-R136 HydrophobicContact CD2-CG 3.67Å; L120-R136 HydrophobicContact CG-CG 4.39Å; A132-R136 VanDerWaalsContact CB-NH2 3.27Å; A132-R136 VanDerWaalsContact O-CB 3.31Å; A132-R136 WeakPolarHBondContact O-CB 3.47Å; A132-R136 VanDerWaalsContact O-CG 3.25Å; A132-R136 WeakPolarHBondContact O-CG 3.17Å; A132-R136 PolarHBondContact O-N 3.49Å; A132-R136 PolarHBondContact O-NE 3.46Å; A132-R136 VanDerWaalsContact O-NE 3.11Å; L134-R136 PolarHBondContact O-N 3.43Å; R136-K140 WeakPolarHBondContact O-CB 3.47Å; R136-K140 VanDerWaalsContact O-CG 3.26Å; R136-K140 WeakPolarHBondContact O-CG 3.46Å; R136-K140 PolarHBondContact O-N 3.32Å
137	R	80.7	Confident	67	Low	149 Å²	149	98.5 Å²	98.5	56%	0.562	51%	0.506	S	S	*	.	H	α-helix	trans	-74.3	-36.7	175.7	-78.2	176.1	-69.6	175.8	0.6	112.7	A133 L134 C135 R141	A133-R137 WeakPolarHBondContact O-CB 3.22Å; A133-R137 VanDerWaalsContact O-CG 3.26Å; A133-R137 WeakPolarHBondContact O-CG 3.28Å; A133-R137 PolarHBondContact O-N 3.45Å; A133-R137 VanDerWaalsContact O-N 3.15Å; A133-R137 PolarHBondContact O-NE 2.98Å; L134-R137 CarbonylContact O-C 3.6Å; L134-R137 WeakPolarHBondContact O-CA 3.27Å; L134-R137 WeakPolarHBondContact O-CB 3.43Å; L134-R137 PolarHBondContact O-N 3.01Å; C135-R137 VanDerWaalsContact C-N 3.29Å; C135-R137 PolarHBondContact O-N 3.13Å; R137-R141 WeakPolarHBondContact O-CG 3.35Å; R137-R141 PolarHBondContact O-N 2.93Å
138	K	78.3	Confident	64.9	Low	105 Å²	105	96.4 Å²	96.4	46%	0.457	51%	0.509	S	S	.	.	H	α-helix	trans	-67.7	-49.2	174	-79.8	-82.3	-168.3	160.7	0	111.3	F116 L134 C135 K140 R141 A142	F116-K138 HydrophobicContact CD1-CB 3.78Å; F116-K138 HydrophobicContact CD1-CG 4.18Å; F116-K138 HydrophobicContact CD2-CB 4.12Å; F116-K138 HydrophobicContact CE1-CB 3.77Å; F116-K138 HydrophobicContact CE1-CD 4.11Å; F116-K138 HydrophobicContact CE1-CG 3.67Å; F116-K138 HydrophobicContact CE2-CB 4.1Å; F116-K138 HydrophobicContact CE2-CD 4.24Å; F116-K138 HydrophobicContact CE2-CG 4.41Å; F116-K138 HydrophobicContact CG-CB 3.97Å; F116-K138 HydrophobicContact CZ-CB 3.93Å; F116-K138 HydrophobicContact CZ-CD 3.71Å; F116-K138 HydrophobicContact CZ-CG 3.81Å; L134-K138 HydrophobicContact CD2-CG 3.88Å; L134-K138 PolarHBondContact O-N 3.16Å; C135-K138 PolarHBondContact O-N 3.29Å; K138-K140 VanDerWaalsContact C-N 3.32Å; K138-K140 PolarHBondContact O-N 3.28Å; K138-R141 WeakPolarHBondContact O-CA 3.42Å; K138-R141 WeakPolarHBondContact O-CB 3.46Å; K138-R141 PolarHBondContact O-N 3.04Å; K138-A142 PolarHBondContact O-N 3.12Å
139	L	76.4	Confident	62.7	Low	84 Å²	84	98.6 Å²	98.6	44%	0.44	54%	0.539	S	S	.	.	H	α-helix	trans	-60	-40	178.4	-158.5	73.1	0	0	0	112	F116 C135 R141 A142 G143	F116-L139 HydrophobicContact CB-CD1 4.23Å; C135-L139 WeakPolarHBondContact O-CB 3.15Å; C135-L139 PolarHBondContact O-N 3.13Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 PolarHBondContact O-N 3.07Å; L139-A142 PolarHBondContact O-N 2.95Å; L139-G143 PolarHBondContact O-N 3.17Å
140	K	75.3	Confident	60.7	Low	178 Å²	178	106.3 Å²	106.3	77%	0.774	56%	0.556	S	S	*	*	H	α-helix	trans	-67	-19.1	171.8	-78.3	-177.1	177	-169.3	0	115	R136 K138	R136-K140 WeakPolarHBondContact O-CB 3.47Å; R136-K140 VanDerWaalsContact O-CG 3.26Å; R136-K140 WeakPolarHBondContact O-CG 3.46Å; R136-K140 PolarHBondContact O-N 3.32Å; K138-K140 VanDerWaalsContact C-N 3.32Å; K138-K140 PolarHBondContact O-N 3.28Å
141	R	68.3	Low	58.5	Low	210 Å²	210	104.4 Å²	104.4	79%	0.792	57%	0.565	S	S	*	*	H	α-helix	trans	-90.5	-28.5	174.7	-75.1	173.9	177.4	179.8	-1.4	112.4	R137 K138 L139	R137-R141 WeakPolarHBondContact O-CG 3.35Å; R137-R141 PolarHBondContact O-N 2.93Å; K138-R141 WeakPolarHBondContact O-CA 3.42Å; K138-R141 WeakPolarHBondContact O-CB 3.46Å; K138-R141 PolarHBondContact O-N 3.04Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 PolarHBondContact O-N 3.07Å
142	A	64.4	Low	56.2	Low	76 Å²	76	108.5 Å²	108.5	63%	0.628	61%	0.606	S	S	*	*	H	α-helix	trans	-72.5	-37.8	170.4	0	0	0	0	0	112.1	K138 L139 K144	K138-A142 PolarHBondContact O-N 3.12Å; L139-A142 PolarHBondContact O-N 2.95Å; A142-K144 PolarHBondContact O-N 3.27Å; A142-K144 VanDerWaalsContact O-N 3.11Å
143	G	46.9	Very low	53.8	Low	51 Å²	51	113.4 Å²	113.4	53%	0.526	65%	0.647	S	S	.	*			trans	-76.9	91.2	-178.3	0	0	0	0	0	115.1	L139	L139-G143 PolarHBondContact O-N 3.17Å
144	K	37.3	Very low	51.5	Low	202 Å²	202	117 Å²	117	88%	0.878	68%	0.677	S	S	*	*			trans	-87.5	121.9	156.8	-74.1	-179.1	179	175.6	0	110.4	A142	A142-K144 PolarHBondContact O-N 3.27Å; A142-K144 VanDerWaalsContact O-N 3.11Å
145	P	38.7	Very low	49	Very low	110 Å²	110	118.9 Å²	118.9	71%	0.714	71%	0.706	S	S	*	*			trans	-98.6	140.5	166.3	34.9	-29.6	0	0	0	112.3
146	F	30.8	Very low	46.7	Very low	206 Å²	206	127.7 Å²	127.7	90%	0.904	75%	0.751	S	S	*	*			trans	40.1	120.5	156.6	-75.4	-95.6	0	0	0	120.3
147	G	31.3	Very low	44.2	Very low	80 Å²	80	125.6 Å²	125.6	83%	0.825	76%	0.764	S	S	*	*			trans	-75.7	131.9	170.2	0	0	0	0	0	113.1	G149	G147-G149 PolarHBondContact O-N 3.4Å
148	S	32	Very low	41.8	Very low	121 Å²	121	130.3 Å²	130.3	85%	0.846	78%	0.782	S	S	*	*			trans	-92.2	87.3	171.9	44.1	0	0	0	0	111.4
149	G	28.1	Very low	39.3	Very low	75 Å²	75	130.8 Å²	130.8	77%	0.773	80%	0.796	S	S	*	*			trans	-63.9	135.2	165.4	0	0	0	0	0	111.2	G147 A151	G147-G149 PolarHBondContact O-N 3.4Å; G149-A151 PolarHBondContact O-N 3.48Å
150	R	31.9	Very low	37	Very low	255 Å²	255	133.1 Å²	133.1	96%	0.962	82%	0.816	S	S	*	*			trans	-75.6	111	170.7	-79.6	179.4	164.6	-168.1	-3.2	110.5
151	A	29.7	Very low	34.8	Very low	103 Å²	103	135.9 Å²	135.9	85%	0.851	82%	0.822	S	S	*	*			trans	178.6	154.4	143.1	0	0	0	0	0	111.1	G149	G149-A151 PolarHBondContact O-N 3.48Å
152	G	26.7	Very low	32.8	Very low	85 Å²	85	130.6 Å²	130.6	88%	0.876	82%	0.817	S	S	*	*			trans	97.3	115.7	167.7	0	0	0	0	0	114.7
153	A	31.7	Very low	31.1	Very low	106 Å²	106	136.5 Å²	136.5	88%	0.876	83%	0.832	S	S	*	*			trans	-130.7	125.2	176.9	0	0	0	0	0	110.9
154	A	31.5	Very low	30.3	Very low	108 Å²	108	146 Å²	146	89%	0.893	85%	0.852	S	S	*	*			trans	-174.2	161.4	162.3	0	0	0	0	0	110.4
155	G	28.4	Very low	29.8	Very low	79 Å²	79	145 Å²	145	81%	0.814	86%	0.855	S	S	*	*			trans	96.1	92.2	158.1	0	0	0	0	0	117.1
156	I	32.4	Very low	29.2	Very low	185 Å²	185	144.8 Å²	144.8	95%	0.949	86%	0.856	S	S	*	*			trans	-76.4	138.7	174.8	-62.2	164.3	0	0	0	111.1
157	G	27.8	Very low	29.3	Very low	69 Å²	69	142 Å²	142	71%	0.711	86%	0.856	S	S	*	*			trans	177.7	123.8	164.8	0	0	0	0	0	114.9
158	R	29.2	Very low	29.3	Very low	248 Å²	248	142.3 Å²	142.3	94%	0.936	85%	0.851	S	S	*	*			trans	-99.2	134	172.9	-83	-172.6	173.9	-168.1	0.6	111.6
159	P	26.6	Very low	29.1	Very low	115 Å²	115	142 Å²	142	75%	0.747	85%	0.849	S	S	*	*			trans	-86.8	163.1	155.1	34.2	-31.3	0	0	0	112
160	P	28.9	Very low	29.4	Very low	133 Å²	133	145.3 Å²	145.3	86%	0.864	85%	0.854	S	S	*	*			trans	-88.3	178.5	-168.9	35.5	-37.7	0	0	0	115.4
161	R	28.1	Very low	29.4	Very low	237 Å²	237	141.2 Å²	141.2	89%	0.894	85%	0.849	S	S	*	*			trans	-91	123.7	-173.6	-166.3	-177.8	-172.5	167.6	1.6	112
162	S	27.1	Very low	29.4	Very low	99 Å²	99	145.9 Å²	145.9	69%	0.692	85%	0.853	S	S	*	*			trans	48.4	113.6	156.7	62.6	0	0	0	0	120
163	Q	28.2	Very low	29.5	Very low	200 Å²	200	146.7 Å²	146.7	94%	0.935	85%	0.851	S	S	*	*			trans	-122.5	152.2	132.4	-71.3	-168.3	-3.8	0	0	109.1
164	R	29.2	Very low	29.6	Very low	251 Å²	251	152.5 Å²	152.5	95%	0.947	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-84.7	135.8	178.3	-64.7	-178.8	177.1	-156.9	1.2	109.4
165	L	27.5	Very low	29.7	Very low	180 Å²	180	157.6 Å²	157.6	94%	0.942	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-88.6	141	163.6	-77.5	169	0	0	0	110.2
166	S	25.6	Very low	29.7	Very low	106 Å²	106	163.4 Å²	163.4	74%	0.741	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-88.4	157.1	-175.5	-168.9	0	0	0	0	112.3	A168	S166-A168 PolarHBondContact O-N 3.3Å; S166-A168 VanDerWaalsContact O-N 3.17Å
167	T	32.9	Very low	29.5	Very low	146 Å²	146	158 Å²	158	90%	0.896	84%	0.844	S	S	*	*	S	Bend	trans	-80.4	86.4	175.8	47.6	0	0	0	0	111.1
168	A	31.5	Very low	29.6	Very low	87 Å²	87	162.5 Å²	162.5	72%	0.719	85%	0.851	S	S	*	*			trans	-151.6	68.1	179.8	0	0	0	0	0	113.3	S166	S166-A168 PolarHBondContact O-N 3.3Å; S166-A168 VanDerWaalsContact O-N 3.17Å
169	S	28.6	Very low	29.6	Very low	116 Å²	116	156.9 Å²	156.9	81%	0.811	84%	0.844	S	S	*	*			trans	-159.7	45.1	-180	53.6	0	0	0	0	115.9
170	V	34	Very low	29.9	Very low	144 Å²	144	159.6 Å²	159.6	87%	0.873	85%	0.852	S	S	*	*			trans	-135.9	41.7	174.6	-156.4	0	0	0	0	113.7
171	I	31.4	Very low	29.8	Very low	169 Å²	169	156 Å²	156	87%	0.867	84%	0.839	S	S	*	*			trans	-142.9	87.1	160.6	-51.1	179.3	0	0	0	110
172	Q	30.2	Very low	30.1	Very low	201 Å²	201	155.4 Å²	155.4	94%	0.939	84%	0.837	S	S	*	*			trans	-163.3	73.4	158.2	-122.9	173.7	-4.1	0	0	111.2
173	A	29.2	Very low	30.3	Very low	101 Å²	101	160.4 Å²	160.4	84%	0.835	85%	0.846	S	S	*	*			trans	-152.1	60.5	179.6	0	0	0	0	0	112.2
174	R	34.4	Very low	30.2	Very low	229 Å²	229	154.9 Å²	154.9	86%	0.864	84%	0.843	S	S	*	*	S	Bend	trans	-151	139.3	163.1	-112.9	172.1	-175.6	157.2	3.9	109.3
175	Y	32.8	Very low	30.3	Very low	214 Å²	214	147.3 Å²	147.3	84%	0.839	83%	0.834	S	S	*	*			trans	60.6	88.3	-176.8	-55.8	-72.7	0	0	0	116.7
176	H	27.6	Very low	30.3	Very low	202 Å²	202	148 Å²	148	94%	0.935	83%	0.832	S	S	*	*				-145.8	129.5	121.1	-121.1	-86.3	0	0	0	109
177	G	28.2	Very low	30.4	Very low	71 Å²	71	147 Å²	147	73%	0.732	83%	0.83	S	S	*	*			trans	-173.8	71.1	-171	0	0	0	0	0	113.6
178	L	31	Very low	31	Very low	163 Å²	163	145.1 Å²	145.1	85%	0.853	82%	0.82	S	S	*	*			trans	-161.8	159.6	152.1	-140	72.9	0	0	0	111
179	V	29.9	Very low	30.7	Very low	130 Å²	130	148.7 Å²	148.7	79%	0.788	82%	0.822	S	S	*	*			trans	68.2	100.6	173	-166.8	0	0	0	0	116.3
180	D	31.9	Very low	30.5	Very low	172 Å²	172	150.5 Å²	150.5	92%	0.92	82%	0.818	S	S	*	*			trans	-125	123.3	145.9	-161.7	-17	0	0	0	107.1
181	G	27.9	Very low	30.2	Very low	58 Å²	58	150.8 Å²	150.8	60%	0.598	81%	0.813	S	S	*	*			trans	-151.7	6.5	-143	0	0	0	0	0	119.7
182	R	32.5	Very low	30.4	Very low	225 Å²	225	148.6 Å²	148.6	85%	0.849	81%	0.81	S	S	*	*			trans	48.2	123	166.2	-71.6	-177.3	170.3	-174.3	-0.5	120.6
183	K	31.3	Very low	30.3	Very low	204 Å²	204	147.8 Å²	147.8	89%	0.887	81%	0.806	S	S	*	*			trans	59.1	123	138.2	-63.7	-174	174.9	-170.9	0	119.8
184	G	27.9	Very low	30.2	Very low	84 Å²	84	147 Å²	147	87%	0.866	80%	0.8	S	S	*	*			trans	174.5	131.6	154	0	0	0	0	0	110.6
185	A	30.2	Very low	29.9	Very low	92 Å²	92	146.1 Å²	146.1	76%	0.76	80%	0.802	S	S	*	*			trans	-112.2	135.1	173.5	0	0	0	0	0	109.2
186	H	27.1	Very low	29.6	Very low	195 Å²	195	139.7 Å²	139.7	90%	0.903	80%	0.802	S	S	*	*			trans	-175.1	160.3	136.8	-110.6	-81.6	0	0	0	110.7
187	A	27.2	Very low	29.7	Very low	83 Å²	83	135.6 Å²	135.6	69%	0.686	80%	0.796	S	S	*	*			trans	-139	169.1	163.9	0	0	0	0	0	106.9
188	P	45.6	Very low	29.6	Very low	107 Å²	107	139.1 Å²	139.1	70%	0.695	80%	0.798	S	S	*	*			cis	-132.3	-156.7	2.7	40.6	-21.7	0	0	0	113.3
189	Q	25.4	Very low	29.6	Very low	163 Å²	163	139.4 Å²	139.4	76%	0.762	80%	0.8	S	S	*	*			trans	93.7	161	144.3	-104.1	-175.5	-79.3	0	0	122.4
190	E	24.1	Very low	29.7	Very low	154 Å²	154	140.2 Å²	140.2	72%	0.72	80%	0.795	S	S	*	*			trans	73.5	120.7	171.9	-54.2	-45.3	86	0	0	123
191	L	28.5	Very low	29.6	Very low	149 Å²	149	139.2 Å²	139.2	78%	0.78	79%	0.789	S	S	*	*			trans	-72.7	162.1	154.6	-88.6	156	0	0	0	110.2
192	P	35.6	Very low	29.5	Very low	124 Å²	124	143.9 Å²	143.9	81%	0.805	79%	0.793	S	S	*	*				-140.7	164	100	34.9	-20.5	0	0	0	115.2
193	Q	27.8	Very low	29.3	Very low	183 Å²	183	140.6 Å²	140.6	86%	0.855	79%	0.792	S	S	*	*			trans	-83.3	163.9	174.2	-52.6	163	-41.8	0	0	111.8
194	A	28	Very low	29	Very low	85 Å²	85	134.7 Å²	134.7	70%	0.702	79%	0.788	S	S	*	*				-175.8	130.5	127.3	0	0	0	0	0	113.2
195	K	27.5	Very low	28.9	Very low	210 Å²	210	133.8 Å²	133.8	91%	0.913	78%	0.779	S	S	*	*			trans	54.8	132.1	148.3	-57.8	171.4	-177.1	178.7	0	117.2
196	G	25.7	Very low	28.8	Very low	80 Å²	80	134.8 Å²	134.8	83%	0.825	78%	0.781	S	S	*	*			cis	119.1	142.1	42	0	0	0	0	0	106.5
197	S	29.8	Very low	28.8	Very low	116 Å²	116	131.3 Å²	131.3	81%	0.811	77%	0.769	S	S	*	*			cis	-136.8	-174.4	36.9	58.3	0	0	0	0	114.4
198	D	27.1	Very low	28.9	Very low	145 Å²	145	134.3 Å²	134.3	78%	0.775	77%	0.768	S	S	*	*			trans	-89.2	160.4	-169.5	-37.5	-96.6	0	0	0	114
199	D	31.1	Very low	28	Very low	169 Å²	169	135.6 Å²	135.6	90%	0.904	77%	0.77	S	S	*	*			trans	-161	133.9	132.7	-106.8	-31.6	0	0	0	109.2
200	E	32.1	Very low	28.1	Very low	146 Å²	146	131.9 Å²	131.9	68%	0.682	76%	0.762	S	S	*	*			trans	-84.8	164.2	178.2	-68.1	-156.8	99.6	0	0	111.4	F202	E200-F202 WeakPolarHBondContact OE1-CE2 3.24Å
201	L	29.2	Very low	28.3	Very low	152 Å²	152	130 Å²	130	80%	0.796	76%	0.76	S	S	*	*				-158.6	136.1	71.1	-74.6	164.8	0	0	0	109.6
202	F	24.9	Very low	28.4	Very low	155 Å²	155	132 Å²	132	68%	0.68	77%	0.766	S	S	*	*				52.6	120.9	85.5	-93.1	-118.9	0	0	0	112.8	E200	E200-F202 WeakPolarHBondContact OE1-CE2 3.24Å
203	L	29.8	Very low	28	Very low	157 Å²	157	129.2 Å²	129.2	82%	0.822	76%	0.759	S	S	*	*			cis	-153.4	159	24.2	-94.1	166.1	0	0	0	114
204	G	24.8	Very low	28.1	Very low	79 Å²	79	129.4 Å²	129.4	81%	0.814	77%	0.766	S	S	*	*			trans	82.4	121.1	146.7	0	0	0	0	0	117.9
205	G	26.1	Very low	28	Very low	65 Å²	65	129 Å²	129	67%	0.67	77%	0.769	S	S	*	*			cis	120.6	140.7	-6.5	0	0	0	0	0	113.9
206	S	28.2	Very low	28.2	Very low	114 Å²	114	131 Å²	131	80%	0.797	77%	0.771	S	S	*	*			trans	62.9	146.1	175.7	51.1	0	0	0	0	116.9
207	N	26.8	Very low	28.2	Very low	121 Å²	121	131.1 Å²	131.1	65%	0.647	76%	0.764	S	S	*	*			cis	-152.8	144.1	-1.5	-119.1	11.8	0	0	0	110.9
208	Q	30	Very low	28.1	Very low	146 Å²	146	132.4 Å²	132.4	68%	0.682	77%	0.767	S	S	*	*				58	109.9	106.5	-66.4	-177.4	-13.6	0	0	114.2
209	D	25.3	Very low	28	Very low	134 Å²	134	131 Å²	131	72%	0.717	77%	0.767	S	S	*	*				100.3	154.6	95.1	-88.5	-55.8	0	0	0	111.7
210	S	27	Very low	28.7	Very low	85 Å²	85	129 Å²	129	59%	0.594	76%	0.763	S	S	*	*			cis	-161.9	145	-23.5	-128.5	0	0	0	0	111.6
211	V	28.4	Very low	28.6	Very low	115 Å²	115	127.1 Å²	127.1	70%	0.697	77%	0.773	S	S	*	*			trans	65.9	144.6	132.9	171.8	0	0	0	0	120.7
212	Q	31.6	Very low	28.5	Very low	191 Å²	191	123.6 Å²	123.6	89%	0.893	77%	0.773	S	S	*	*			trans	74	141.7	176.3	-32.4	-164.4	7.8	0	0	117.4
213	G	27.5	Very low	28.6	Very low	65 Å²	65	119.7 Å²	119.7	67%	0.67	78%	0.777	S	S	*	*			cis	154.9	143.1	-13.2	0	0	0	0	0	114.8
214	L	29.2	Very low	28.5	Very low	188 Å²	188	121 Å²	121	98%	0.984	78%	0.779	S	S	*	*			trans	66.5	139.4	166.4	-46.8	175.6	0	0	0	116.2
215	G	27.1	Very low	28.8	Very low	76 Å²	76	124.6 Å²	124.6	78%	0.784	78%	0.784	S	S	*	*			cis	-173.8	-162.2	0.1	0	0	0	0	0	114.9
216	R	30.3	Very low	28.8	Very low	252 Å²	252	124.6 Å²	124.6	95%	0.951	79%	0.785	S	S	*	*			trans	-54.6	164.2	179.7	-75.8	172.4	158	-159.9	-5.2	115.2
217	A	27.3	Very low	28.9	Very low	82 Å²	82	128.1 Å²	128.1	68%	0.678	79%	0.793	S	S	*	*			cis	178.5	-162.5	-18.6	0	0	0	0	0	109.1
218	V	26.4	Very low	28.8	Very low	143 Å²	143	126.1 Å²	126.1	87%	0.867	80%	0.802	S	S	*	*			trans	98.6	147	160.9	-170.5	0	0	0	0	116.7
219	C	25.6	Very low	28.6	Very low	116 Å²	116	122.5 Å²	122.5	78%	0.784	80%	0.804	S	S	*	*			trans	-99.9	-151.7	-174.2	-37	0	0	0	0	109.8
220	P	45.4	Very low	28.5	Very low	127 Å²	127	122 Å²	122	83%	0.825	81%	0.81	S	S	*	*			cis	-140.5	-170.6	13.3	44.8	-23.6	0	0	0	117.6
221	A	30.8	Very low	28.7	Very low	106 Å²	106	123.1 Å²	123.1	88%	0.876	82%	0.817	S	S	*	*			trans	-55.6	170.9	-177.9	0	0	0	0	0	120.2
222	G	26.7	Very low	28.8	Very low	78 Å²	78	122.9 Å²	122.9	80%	0.804	82%	0.821	S	S	*	*			trans	157	143.1	151.5	0	0	0	0	0	116.7
223	G	26.6	Very low	28.7	Very low	73 Å²	73	118.7 Å²	118.7	75%	0.753	81%	0.812	S	S	*	*			trans	82	128.8	170.5	0	0	0	0	0	115.2
224	E	28.5	Very low	28.9	Very low	185 Å²	185	120.8 Å²	120.8	86%	0.864	81%	0.812	S	S	*	*			cis	80.5	142.7	13.3	-49.6	-164.2	176.1	0	0	118.4
225	V	30.1	Very low	28.9	Very low	154 Å²	154	119.5 Å²	119.5	93%	0.933	81%	0.806	S	S	*	*			trans	58.9	154.2	-178.1	-51	0	0	0	0	117.6
226	G	26.8	Very low	29	Very low	66 Å²	66	119.1 Å²	119.1	68%	0.68	80%	0.802	S	S	*	*			cis	158.6	141	-14	0	0	0	0	0	114.5
227	L	29.6	Very low	29.1	Very low	187 Å²	187	113.4 Å²	113.4	98%	0.979	80%	0.801	S	S	*	*			trans	63.5	132.1	160.2	-54.4	175.2	0	0	0	121.8
228	G	24.8	Very low	29.4	Very low	80 Å²	80	115 Å²	115	83%	0.825	81%	0.807	S	S	*	*			trans	105.4	149.7	131.3	0	0	0	0	0	120.4
229	G	25.3	Very low	29.6	Very low	70 Å²	70	112 Å²	112	72%	0.722	80%	0.804	S	S	*	*			trans	92.2	114.3	173	0	0	0	0	0	113.9
230	C	24.3	Very low	29.7	Very low	124 Å²	124	110.3 Å²	110.3	84%	0.838	81%	0.807	S	S	*	*			cis	78.4	111.3	29.5	-49.1	0	0	0	0	115.8
231	S	30.3	Very low	28.8	Very low	107 Å²	107	109.5 Å²	109.5	75%	0.748	80%	0.803	S	S	*	*				162.4	143	116.7	-70.2	0	0	0	0	114.3
232	S	30	Very low	28.6	Very low	111 Å²	111	112.9 Å²	112.9	78%	0.776	80%	0.801	S	S	*	*			trans	54.2	135.3	147.2	62.2	0	0	0	0	119.7
233	S	30.9	Very low	28.7	Very low	103 Å²	103	117.9 Å²	117.9	72%	0.72	80%	0.803	S	S	*	*			cis	-171.9	170.1	45.9	-83	0	0	0	0	109.9
234	T	30.8	Very low	28.8	Very low	108 Å²	108	121.6 Å²	121.6	66%	0.663	80%	0.801	S	S	*	*			cis	-170.7	155.7	-17.6	32	0	0	0	0	108.3
235	N	30.6	Very low	28.9	Very low	162 Å²	162	120.2 Å²	120.2	87%	0.866	80%	0.799	S	S	*	*			trans	69.3	147.7	166.8	-50.8	-22.2	0	0	0	116.9
236	G	27.7	Very low	28.7	Very low	67 Å²	67	116 Å²	116	69%	0.691	79%	0.786	S	S	*	*			cis	168.1	147.8	-10	0	0	0	0	0	113.3
237	S	32.6	Very low	28.8	Very low	133 Å²	133	120.8 Å²	120.8	93%	0.93	80%	0.796	S	S	*	*			trans	67.2	146	177	-59	0	0	0	0	116.6
238	S	34.8	Very low	28.6	Very low	116 Å²	116	118 Å²	118	81%	0.811	78%	0.782	S	S	*	*			cis	-143.7	161.2	-0.5	49.5	0	0	0	0	111.6
239	G	28.7	Very low	28.7	Very low	78 Å²	78	120.9 Å²	120.9	80%	0.804	78%	0.778	S	S	*	*			trans	-61.2	168.2	178.3	0	0	0	0	0	114.3
240	G	28.1	Very low	28.8	Very low	82 Å²	82	121.3 Å²	121.3	85%	0.845	77%	0.769	S	S	*	*				115.9	153	56	0	0	0	0	0	107
241	C	26.2	Very low	29.1	Very low	109 Å²	109	124.2 Å²	124.2	74%	0.736	77%	0.768	S	S	*	*			cis	-148.2	144.1	5.5	43.7	0	0	0	0	107.9
242	E	27.5	Very low	29	Very low	178 Å²	178	129.1 Å²	129.1	83%	0.832	78%	0.776	S	S	*	*				58.1	150.3	104.1	-58.2	-170	107	0	0	118.6
243	Q	29	Very low	29	Very low	183 Å²	183	129.1 Å²	129.1	86%	0.855	78%	0.775	S	S	*	*			trans	91.5	150.6	170.3	-58.9	172.1	26.4	0	0	118
244	E	29.4	Very low	30.1	Very low	151 Å²	151	129.9 Å²	129.9	71%	0.706	78%	0.778	S	S	*	*			cis	174.9	147.3	-39.9	-108.5	-78.6	77	0	0	109.3
245	L	30.3	Very low	30.7	Very low	156 Å²	156	130.3 Å²	130.3	82%	0.817	78%	0.783	S	S	*	*			trans	66.1	154.2	157.4	-57.7	166	0	0	0	123.1
246	G	25.9	Very low	30.8	Very low	65 Å²	65	130.4 Å²	130.4	67%	0.67	78%	0.782	S	S	*	*			trans	100.6	121.7	166.9	0	0	0	0	0	115.3
247	L	28.5	Very low	32.1	Very low	167 Å²	167	132.9 Å²	132.9	87%	0.874	79%	0.786	S	S	*	*			cis	68.1	133.1	36.5	-51.1	178.6	0	0	0	113.4
248	D	25.4	Very low	32.8	Very low	129 Å²	129	132.6 Å²	132.6	69%	0.69	78%	0.781	S	S	*	*			cis	-159.7	166.8	6.1	-147.1	-17.1	0	0	0	115
249	L	27.5	Very low	32.6	Very low	140 Å²	140	131 Å²	131	73%	0.733	78%	0.775	S	S	*	*			trans	33.5	136.5	150.1	-87.4	163	0	0	0	126.2
250	S	27.4	Very low	32.8	Very low	78 Å²	78	134 Å²	134	55%	0.545	78%	0.777	S	S	.	*				106.1	119	127.8	-81.5	0	0	0	0	124.8
251	K	30.2	Very low	33.4	Very low	186 Å²	186	136.1 Å²	136.1	81%	0.809	78%	0.776	S	S	*	*			trans	62.7	114.5	130.9	-60.2	170.1	-176.4	171.1	0	121.8
252	K	27.6	Very low	33.8	Very low	210 Å²	210	134.2 Å²	134.2	91%	0.913	78%	0.775	S	S	*	*				-179.9	162.2	108.5	-103.2	175.4	178.5	178.5	0	115.4
253	S	29.3	Very low	34.6	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	78%	0.776	S	S	*	*			trans	-155	175.6	167	-40.1	0	0	0	0	107.4
254	P	54.9	Low	34.7	Very low	120 Å²	120	131.1 Å²	131.1	78%	0.779	77%	0.772	S	S	*	*			cis	-113.4	-147.8	-18.2	38.6	-19.1	0	0	0	109.8
255	P	42.5	Very low	34.7	Very low	117 Å²	117	130 Å²	130	76%	0.76	77%	0.77	S	S	*	*				-147.6	-176.5	57.7	42.1	-20.3	0	0	0	117.9
256	L	34.3	Very low	34.8	Very low	164 Å²	164	128.7 Å²	128.7	86%	0.859	77%	0.769	S	S	*	*			trans	-116.2	-171.3	165.6	-70.3	171.2	0	0	0	108.4
257	P	54.6	Low	36.4	Very low	119 Å²	119	130.6 Å²	130.6	77%	0.773	77%	0.769	S	S	*	*			cis	-113.7	-121.8	-9.7	40.5	-21.3	0	0	0	110.1
258	P	47.3	Very low	36.3	Very low	126 Å²	126	130.3 Å²	130.3	82%	0.818	77%	0.768	S	S	*	*			cis	-109	-157.1	-0.3	44.5	-33.2	0	0	0	114.1
259	A	30.1	Very low	36.5	Very low	82 Å²	82	131.4 Å²	131.4	68%	0.678	78%	0.775	S	S	*	*			trans	-156.4	164.5	179.2	0	0	0	0	0	114.8
260	T	32.7	Very low	37.6	Very low	141 Å²	141	129.7 Å²	129.7	87%	0.865	77%	0.772	S	S	*	*			trans	64.9	164	161.9	43.1	0	0	0	0	117.9
261	P	42	Very low	37.7	Very low	127 Å²	127	130.3 Å²	130.3	83%	0.825	78%	0.781	S	S	*	*			cis	-129.8	-166.8	14.7	44	-27.1	0	0	0	116
262	G	33.1	Very low	37.7	Very low	69 Å²	69	129 Å²	129	71%	0.711	78%	0.778	S	S	*	*			trans	-139.1	170.5	172.3	0	0	0	0	0	114
263	P	45.3	Very low	37.8	Very low	129 Å²	129	126.2 Å²	126.2	84%	0.838	77%	0.772	S	S	*	*			trans	-140.4	166.5	159.1	39.8	-25	0	0	0	113
264	H	29.6	Very low	37.9	Very low	167 Å²	167	125.4 Å²	125.4	77%	0.773	77%	0.766	S	S	*	*			cis	-143.1	-124.6	-11	-161.3	-111	0	0	0	111.4
265	L	31.3	Very low	36.7	Very low	128 Å²	128	125.7 Å²	125.7	67%	0.67	76%	0.761	S	S	*	*			trans	-153.3	136	-165.3	-70.1	166.2	0	0	0	114
266	T	30.7	Very low	36.4	Very low	129 Å²	129	124.8 Å²	124.8	79%	0.791	76%	0.758	S	S	*	*			trans	61.2	-179.8	139.5	63.2	0	0	0	0	120.5
267	P	59.3	Low	36.3	Very low	105 Å²	105	125.4 Å²	125.4	68%	0.682	76%	0.757	S	S	*	*				-134.7	-151.3	-75.6	43.7	-25	0	0	0	114.3
268	D	27.1	Very low	35.3	Very low	160 Å²	160	128.5 Å²	128.5	86%	0.856	76%	0.761	S	S	*	*			trans	105.1	152.8	159.4	-63.9	-49.9	0	0	0	122.1
269	D	29.2	Very low	34.3	Very low	153 Å²	153	125.9 Å²	125.9	82%	0.818	76%	0.756	S	S	*	*			trans	-124	-169.5	-172.3	-131.2	-48	0	0	0	107.8
270	P	50.3	Low	34.3	Very low	104 Å²	104	127.7 Å²	127.7	68%	0.675	76%	0.764	S	S	*	*			cis	-137	-164.5	-19.8	41.1	-21.4	0	0	0	115.1
271	A	31.2	Very low	35.3	Very low	90 Å²	90	126.6 Å²	126.6	74%	0.744	76%	0.759	S	S	*	*			trans	75.8	158.9	149.5	0	0	0	0	0	119.2
272	Q	29.7	Very low	36.2	Very low	160 Å²	160	125.7 Å²	125.7	75%	0.748	75%	0.753	S	S	*	*			cis	-168.2	171.9	-7.2	-114.2	-79.6	-9.7	0	0	111.3
273	L	29	Very low	36	Very low	151 Å²	151	129.2 Å²	129.2	79%	0.791	76%	0.76	S	S	*	*			trans	64	156.9	167.4	-60.8	166.3	0	0	0	118.5
274	S	32.2	Very low	35.3	Very low	92 Å²	92	127.1 Å²	127.1	64%	0.643	75%	0.754	S	S	*	*			cis	-162.8	-163.7	-28.9	58.9	0	0	0	0	107.9
275	D	29.8	Very low	35.2	Very low	126 Å²	126	125.2 Å²	125.2	67%	0.674	76%	0.76	S	S	*	*			cis	-166.7	152.2	10.1	-138.6	-59.7	0	0	0	113.7
276	S	35.5	Very low	35	Very low	99 Å²	99	123.7 Å²	123.7	69%	0.692	77%	0.765	S	S	*	*			trans	51.3	162.1	153.1	-65.7	0	0	0	0	122.5
277	Q	32.1	Very low	36	Very low	177 Å²	177	122.6 Å²	122.6	83%	0.827	76%	0.76	S	S	*	*			cis	-143	178.3	22.1	-75	-175.6	-0.3	0	0	115.4
278	H	33	Very low	35.5	Very low	184 Å²	184	123 Å²	123	85%	0.852	76%	0.763	S	S	*	*			trans	-47.9	171.3	178.7	-45.6	-70.7	0	0	0	118.9
279	G	27	Very low	35.8	Very low	70 Å²	70	121.8 Å²	121.8	72%	0.722	76%	0.761	S	S	*	*			cis	-178.7	-162.4	9.2	0	0	0	0	0	114.8
280	S	29.8	Very low	36	Very low	120 Å²	120	118.1 Å²	118.1	84%	0.839	75%	0.752	S	S	*	*			trans	-151.7	-174.9	-176.8	-47.8	0	0	0	0	110.1
281	P	55.2	Low	35	Very low	118 Å²	118	120.6 Å²	120.6	77%	0.766	76%	0.76	S	S	*	*			cis	-139.8	-136.8	4	39.3	-14.2	0	0	0	112.5
282	P	60.8	Low	35.2	Very low	109 Å²	109	121.1 Å²	121.1	71%	0.708	76%	0.758	S	S	*	*				-123.9	-166.6	-57.7	28.3	-7	0	0	0	115
283	V	28.5	Very low	35.2	Very low	142 Å²	142	118 Å²	118	86%	0.861	76%	0.76	S	S	*	*			trans	114.9	147.1	151.8	-173.1	0	0	0	0	115.9
284	A	29.7	Very low	35.3	Very low	85 Å²	85	115.8 Å²	115.8	70%	0.702	76%	0.757	S	S	*	*			trans	-131.9	165.1	-162	0	0	0	0	0	114.2
285	S	27.3	Very low	35	Very low	128 Å²	128	121.8 Å²	121.8	90%	0.895	77%	0.767	S	S	*	*			trans	-175.2	168.4	150.9	-84.9	0	0	0	0	112.5
286	A	28.3	Very low	35.2	Very low	95 Å²	95	119.5 Å²	119.5	79%	0.785	76%	0.761	S	S	*	*			trans	-112.2	-146.2	178	0	0	0	0	0	112.4
287	P	52.1	Low	35.2	Very low	106 Å²	106	123 Å²	123	69%	0.688	77%	0.766	S	S	*	*				-119.9	174.5	-108.9	41.5	-27.4	0	0	0	116.6
288	P	47	Very low	35.3	Very low	114 Å²	114	121.7 Å²	121.7	74%	0.74	76%	0.764	S	S	*	*			trans	-84	159.2	155	34	-32.6	0	0	0	111.8
289	V	34.5	Very low	35	Very low	135 Å²	135	116.9 Å²	116.9	82%	0.818	76%	0.764	S	S	*	*			cis	64.4	131.9	-3	-66.3	0	0	0	0	119.8
290	A	32.3	Very low	35.1	Very low	76 Å²	76	117.4 Å²	117.4	63%	0.628	77%	0.769	S	S	*	*			cis	-167.3	-175.1	-2.5	0	0	0	0	0	112.8
291	N	31.2	Very low	35.1	Very low	156 Å²	156	118.2 Å²	118.2	83%	0.834	77%	0.77	S	S	*	*			trans	78.6	149.5	156.3	-62.2	-19.3	0	0	0	119.5
292	S	34.5	Very low	35.1	Very low	101 Å²	101	117.3 Å²	117.3	71%	0.706	76%	0.764	S	S	*	*			cis	-174.5	151.6	-14.5	50.7	0	0	0	0	113.7
293	A	29.5	Very low	33.6	Very low	95 Å²	95	119.5 Å²	119.5	79%	0.785	77%	0.769	S	S	*	*			trans	67.1	153.4	152.9	0	0	0	0	0	119.5
294	S	30.9	Very low	33.9	Very low	104 Å²	104	121.3 Å²	121.3	73%	0.727	77%	0.768	S	S	*	*			cis	-172.5	173	-15.6	51.2	0	0	0	0	111.6
295	Y	26.8	Very low	35.3	Very low	218 Å²	218	121.8 Å²	121.8	86%	0.855	76%	0.764	S	S	*	*			trans	72	132.7	176.8	-103.7	-113.4	0	0	0	115.2
296	S	33.7	Very low	35.5	Very low	77 Å²	77	123.4 Å²	123.4	54%	0.538	76%	0.759	S	S	.	*			cis	123.9	108.3	9.8	-80.9	0	0	0	0	108.4
297	E	35.4	Very low	35.7	Very low	172 Å²	172	125.1 Å²	125.1	80%	0.804	76%	0.756	S	S	*	*				73.9	154.7	109.6	-61.4	-164.8	108.9	0	0	115
298	L	33.3	Very low	34.9	Very low	151 Å²	151	127.5 Å²	127.5	79%	0.791	76%	0.762	S	S	*	*			cis	-146.5	157.8	17.9	-76.4	167.6	0	0	0	112.2
299	G	28	Very low	34.1	Very low	83 Å²	83	130.6 Å²	130.6	86%	0.856	77%	0.766	S	S	*	*			trans	74.6	159.7	148.4	0	0	0	0	0	119
300	G	28.8	Very low	33.9	Very low	80 Å²	80	127.9 Å²	127.9	83%	0.825	77%	0.766	S	S	*	*			cis	-175.4	155.6	-5.4	0	0	0	0	0	112.4
301	T	29.4	Very low	33.8	Very low	138 Å²	138	128.4 Å²	128.4	85%	0.847	77%	0.77	S	S	*	*			trans	-96.9	179.6	-178.9	55.7	0	0	0	0	112.3
302	P	55.6	Low	34	Very low	99 Å²	99	129.1 Å²	129.1	64%	0.643	77%	0.768	S	S	*	*			cis	-130.6	-156.2	-15.3	23.9	2.7	0	0	0	112.6
303	D	28.7	Very low	34	Very low	155 Å²	155	130.9 Å²	130.9	83%	0.829	77%	0.77	S	S	*	*			trans	115.6	140.7	141.5	-62.1	-34.7	0	0	0	120.7
304	E	35.9	Very low	34.2	Very low	180 Å²	180	132.8 Å²	132.8	84%	0.841	77%	0.767	S	S	*	*			trans	-97.9	-171.9	-177.9	-112	-173.6	112.2	0	0	110.9
305	P	57.9	Low	34.2	Very low	94 Å²	94	135.1 Å²	135.1	61%	0.61	77%	0.766	S	S	*	*			cis	-131.2	-161.9	-27.4	31.6	-10.8	0	0	0	111.7
306	M	32.6	Very low	34.3	Very low	162 Å²	162	131.2 Å²	131.2	80%	0.798	76%	0.759	S	S	*	*			trans	141.6	144.1	133.2	-72.3	-61.3	-79	0	0	114.9
307	D	31.1	Very low	34.2	Very low	132 Å²	132	131.8 Å²	131.8	71%	0.706	76%	0.763	S	S	*	*			trans	-72.2	164.4	179.3	-43.6	-102.5	0	0	0	114.2
308	L	35.1	Very low	33.9	Very low	155 Å²	155	131 Å²	131	81%	0.812	76%	0.764	S	S	*	*				-178.3	161.8	105	-95.3	174.1	0	0	0	115.5
309	E	31.8	Very low	33.8	Very low	180 Å²	180	131.5 Å²	131.5	84%	0.841	77%	0.766	S	S	*	*			trans	-59.7	163.3	-171.2	-55.8	164.2	116.6	0	0	118.3
310	G	28.8	Very low	33.8	Very low	78 Å²	78	136 Å²	136	80%	0.804	77%	0.765	S	S	*	*			trans	97.3	164.5	147	0	0	0	0	0	118
311	A	31.6	Very low	33.8	Very low	86 Å²	86	136.5 Å²	136.5	71%	0.711	76%	0.761	S	S	*	*			cis	-160.9	148.2	-6.9	0	0	0	0	0	112.4
312	E	34.6	Very low	34.4	Very low	171 Å²	171	135.9 Å²	135.9	80%	0.799	76%	0.759	S	S	*	*			trans	45.4	128.6	149.1	-8.7	-167.5	148.6	0	0	122.9
313	D	34.7	Very low	32.9	Very low	139 Å²	139	135.2 Å²	135.2	74%	0.743	77%	0.771	S	S	*	*			trans	40.1	127.3	131.1	-55.5	-12.8	0	0	0	122
314	N	33.1	Very low	32.8	Very low	135 Å²	135	131.8 Å²	131.8	72%	0.722	77%	0.772	S	S	*	*				-174.8	144.8	92.9	-104.8	-78.4	0	0	0	117.3
315	H	31.4	Very low	32.6	Very low	152 Å²	152	132.1 Å²	132.1	70%	0.704	77%	0.773	S	S	*	*			trans	53.9	129.6	144.4	-89.6	-135.3	0	0	0	124.8
316	L	30	Very low	32.1	Very low	137 Å²	137	132 Å²	132	72%	0.717	77%	0.773	S	S	*	*				19.6	149	122.7	-72.6	99.6	0	0	0	120.7
317	S	31	Very low	31.9	Very low	89 Å²	89	135.4 Å²	135.4	62%	0.622	78%	0.777	S	S	*	*			cis	178.8	169.4	-12	-97.5	0	0	0	0	109
318	L	29.2	Very low	31.9	Very low	156 Å²	156	137.5 Å²	137.5	82%	0.817	78%	0.78	S	S	*	*			trans	59.8	119.1	154.2	-100.6	74.5	0	0	0	119.1
319	L	30.7	Very low	31.6	Very low	160 Å²	160	135.7 Å²	135.7	84%	0.838	78%	0.78	S	S	*	*				-178.6	172.7	102.8	-93.9	176.1	0	0	0	111.6
320	E	27.4	Very low	31.6	Very low	177 Å²	177	132.6 Å²	132.6	83%	0.827	77%	0.769	S	S	*	*			trans	-108.4	136.9	-159.9	-60.6	173.9	87.5	0	0	115.8
321	A	29.4	Very low	31.8	Very low	92 Å²	92	138.8 Å²	138.8	76%	0.76	77%	0.768	S	S	*	*			trans	61.7	-175.7	142.4	0	0	0	0	0	118.7
322	P	41.2	Very low	31.8	Very low	124 Å²	124	142.1 Å²	142.1	81%	0.805	77%	0.768	S	S	*	*			cis	-128.8	157.4	-26.2	18.6	3.8	0	0	0	115.6
323	G	25	Very low	31.4	Very low	85 Å²	85	138.8 Å²	138.8	88%	0.876	76%	0.764	S	S	*	*			trans	90.6	145.4	144.3	0	0	0	0	0	118.9
324	G	26.9	Very low	31.3	Very low	83 Å²	83	137.7 Å²	137.7	86%	0.856	76%	0.762	S	S	*	*			trans	159.1	22.4	174.9	0	0	0	0	0	121.3
325	Q	32	Very low	31	Very low	187 Å²	187	142.2 Å²	142.2	87%	0.874	77%	0.769	S	S	*	*			trans	-85.2	172.8	163.5	-71.3	-162.7	-2.4	0	0	110.7
326	P	46.2	Very low	31	Very low	93 Å²	93	142.3 Å²	142.3	60%	0.604	77%	0.768	S	S	*	*			cis	-138.8	170.9	2.5	41.5	-25.4	0	0	0	116.7
327	R	28.5	Very low	30.9	Very low	232 Å²	232	145.7 Å²	145.7	88%	0.875	78%	0.777	S	S	*	*			trans	-178.4	153.6	138.2	-99.4	149.8	-172.1	-93.2	5.7	111.2
328	K	32	Very low	30.9	Very low	177 Å²	177	147.6 Å²	147.6	77%	0.77	78%	0.776	S	S	*	*			cis	177.7	107.1	-40.9	-112.1	178.4	-178.5	-179.5	0	109.3
329	S	28.7	Very low	30.9	Very low	117 Å²	117	152.7 Å²	152.7	82%	0.818	78%	0.784	S	S	*	*			trans	-164.8	130.8	144.7	-149.4	0	0	0	0	108.3
330	L	30.4	Very low	30.7	Very low	115 Å²	115	148 Å²	148	60%	0.602	77%	0.774	S	S	*	*			cis	69.8	131.1	34.3	-107.7	71.2	0	0	0	112.7
331	R	33.1	Very low	30.8	Very low	208 Å²	208	149.8 Å²	149.8	79%	0.785	78%	0.779	S	S	*	*			cis	-138.7	138	11.7	-82.4	178.5	-165.6	-93.5	0.8	110
332	H	32.3	Very low	30.7	Very low	155 Å²	155	155.3 Å²	155.3	72%	0.718	79%	0.786	S	S	*	*				63.6	123.7	79.9	-80.9	-80	0	0	0	117.9
333	S	26.2	Very low	30.4	Very low	101 Å²	101	158.2 Å²	158.2	71%	0.706	79%	0.789	S	S	*	*				-166.6	106.2	115.7	-164.5	0	0	0	0	111.3
334	T	32.7	Very low	31.5	Very low	116 Å²	116	159.4 Å²	159.4	71%	0.712	78%	0.782	S	S	*	*				61.7	152.1	102.6	81	0	0	0	0	116.3
335	R	27.7	Very low	31.5	Very low	231 Å²	231	162 Å²	162	87%	0.872	78%	0.781	S	S	*	*			cis	-159.3	116.8	24.1	-171.1	178	-175.6	174.4	1.2	109.6
336	K	30.9	Very low	31.3	Very low	153 Å²	153	158 Å²	158	67%	0.665	78%	0.779	S	S	*	*				72.8	117.6	73.5	-162.1	-175.9	-154.5	-103.7	0	116	E338	K336-E338 VanDerWaalsContact CE-OE1 3.32Å; K336-E338 WeakPolarHBondContact CE-OE1 3.33Å; K336-E338 WeakPolarHBondContact CE-OE2 3.28Å; K336-E338 IonicContact NZ-OE1 2.64Å; K336-E338 PolarHBondContact NZ-OE1 2.81Å; K336-E338 IonicContact NZ-OE2 3.59Å; K336-E338 PolarHBondContact NZ-OE2 3.33Å
337	K	27.9	Very low	30.3	Very low	209 Å²	209	157.5 Å²	157.5	91%	0.909	79%	0.791	S	S	*	*			trans	-155.2	150.9	143.6	-113.5	177.2	-178.9	-179.4	0	110
338	E	30.3	Very low	30.3	Very low	128 Å²	128	152 Å²	152	60%	0.598	79%	0.788	S	S	*	*			trans	-130.6	150.1	-169.8	-62.5	128.2	122	0	0	112.9	K336	K336-E338 VanDerWaalsContact CE-OE1 3.32Å; K336-E338 WeakPolarHBondContact CE-OE1 3.33Å; K336-E338 WeakPolarHBondContact CE-OE2 3.28Å; K336-E338 IonicContact NZ-OE1 2.64Å; K336-E338 PolarHBondContact NZ-OE1 2.81Å; K336-E338 IonicContact NZ-OE2 3.59Å; K336-E338 PolarHBondContact NZ-OE2 3.33Å
339	W	28.6	Very low	31	Very low	263 Å²	263	148.1 Å²	148.1	100%	0.996	78%	0.781	S	S	*	*			trans	-163.5	146.6	147.5	-134.1	-84.8	0	0	0	106.9
340	G	27.3	Very low	30.9	Very low	61 Å²	61	150.7 Å²	150.7	63%	0.629	78%	0.778	S	S	*	*			cis	163.1	109	-9	0	0	0	0	0	108.8
341	K	30.1	Very low	30.8	Very low	215 Å²	215	153.2 Å²	153.2	94%	0.935	79%	0.786	S	S	*	*			trans	-63.6	137.9	-170.1	-70.4	-171.9	176.7	-171.4	0	113.5
342	K	27	Very low	30.8	Very low	208 Å²	208	153 Å²	153	90%	0.904	79%	0.785	S	S	*	*			trans	-144.6	123.8	147.1	-76.8	-164.6	176.7	-176.9	0	111.3
343	E	34.3	Very low	30.5	Very low	185 Å²	185	157.2 Å²	157.2	86%	0.864	80%	0.795	S	S	*	*			trans	-105.6	176.7	150.7	-82.8	-159.7	159.6	0	0	107.1
344	P	48	Very low	30.6	Very low	111 Å²	111	160.1 Å²	160.1	72%	0.721	80%	0.797	S	S	*	*			cis	-137.5	-174.3	13.4	39.1	-18.7	0	0	0	115.5
345	V	27.7	Very low	30.6	Very low	138 Å²	138	159.5 Å²	159.5	84%	0.836	80%	0.804	S	S	*	*				168.8	148.5	122.7	155.8	0	0	0	0	109.8
346	A	27.3	Very low	30.6	Very low	102 Å²	102	151.9 Å²	151.9	84%	0.843	80%	0.798	S	S	*	*			trans	-86.3	153.9	-175.3	0	0	0	0	0	114.3
347	G	26.3	Very low	30.8	Very low	82 Å²	82	151.1 Å²	151.1	85%	0.845	81%	0.809	S	S	*	*			trans	-164.9	127.5	170.6	0	0	0	0	0	111.7
348	S	27.6	Very low	31.3	Very low	117 Å²	117	151.4 Å²	151.4	82%	0.818	81%	0.81	S	S	*	*			trans	-139.4	175	-179.9	-157.7	0	0	0	0	106.9
349	P	47.2	Very low	31.1	Very low	96 Å²	96	148.3 Å²	148.3	62%	0.623	81%	0.813	S	S	*	*			cis	-128	-145.7	-6.6	36.3	-15.5	0	0	0	113
350	F	25.2	Very low	31.3	Very low	170 Å²	170	142.1 Å²	142.1	75%	0.746	81%	0.806	S	S	*	*			trans	81.7	133	175.5	-70	-92.5	0	0	0	117.7
351	E	28.6	Very low	31.2	Very low	168 Å²	168	145 Å²	145	79%	0.785	82%	0.815	S	S	*	*			cis	-153.2	166.7	-16.4	-143.8	-175.6	-160.1	0	0	112.4
352	R	33.3	Very low	31.3	Very low	204 Å²	204	140.8 Å²	140.8	77%	0.77	81%	0.81	S	S	*	*			trans	-83.2	140.4	171.9	177.5	-164.3	-61.7	-152.7	1.5	110.6
353	R	27	Very low	31.5	Very low	244 Å²	244	134.3 Å²	134.3	92%	0.921	80%	0.802	S	S	*	*			trans	-143.4	147.6	153.2	-149.9	162.7	-173.7	161.7	3.4	113.7
354	E	28.3	Very low	31.1	Very low	161 Å²	161	135.2 Å²	135.2	75%	0.752	81%	0.806	S	S	*	*			trans	-75.8	176.2	-172.1	-60.7	-71.2	131.3	0	0	113.6
355	A	32.2	Very low	30.2	Very low	103 Å²	103	139.1 Å²	139.1	85%	0.851	82%	0.815	S	S	*	*			trans	-107.1	156.9	-167	0	0	0	0	0	116.2
356	G	27.1	Very low	30.4	Very low	72 Å²	72	136.1 Å²	136.1	74%	0.742	81%	0.812	S	S	*	*			trans	103.8	165.2	162.4	0	0	0	0	0	116.1
357	P	34.9	Very low	30.3	Very low	137 Å²	137	141.4 Å²	141.4	89%	0.89	82%	0.819	S	S	*	*			cis	-107.4	-173.6	-3.1	40.3	-31.3	0	0	0	113.7
358	K	38.3	Very low	30.4	Very low	214 Å²	214	140.9 Å²	140.9	93%	0.93	81%	0.814	S	S	*	*			trans	-81.7	148.6	-179.2	-69.4	-178.8	177.1	178.9	0	113.6
359	G	27.8	Very low	30.6	Very low	64 Å²	64	142.5 Å²	142.5	66%	0.66	82%	0.819	S	S	*	*			trans	-137.7	159.6	161	0	0	0	0	0	110.4
360	P	31.9	Very low	29.6	Very low	133 Å²	133	140.4 Å²	140.4	86%	0.864	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-83	142.7	-167.8	32.4	-35.2	0	0	0	113.8
361	C	25.9	Very low	29.7	Very low	121 Å²	121	140.6 Å²	140.6	82%	0.818	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-100.4	153	166.8	-69.2	0	0	0	0	111.1
362	P	32.3	Very low	29.6	Very low	127 Å²	127	143.2 Å²	143.2	83%	0.825	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-81.5	170.2	-168.6	-10	29	0	0	0	113.6
363	G	29.7	Very low	29.5	Very low	72 Å²	72	139.7 Å²	139.7	74%	0.742	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-78.2	142.7	164.8	0	0	0	0	0	111.6
364	E	27.1	Very low	30.5	Very low	204 Å²	204	133.2 Å²	133.2	95%	0.953	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-94.3	123.9	166.7	-66.9	-176.9	143	0	0	109.3
365	E	29.5	Very low	30.5	Very low	192 Å²	192	132.7 Å²	132.7	90%	0.897	82%	0.819	S	S	*	*			trans	-124.1	135.8	177.5	61.3	178.9	119.5	0	0	111.8
366	G	30	Very low	30.1	Very low	75 Å²	75	130.7 Å²	130.7	77%	0.773	81%	0.808	S	S	*	*			trans	75.4	95.2	162.8	0	0	0	0	0	117.9	G368	G366-G368 VanDerWaalsContact C-N 3.26Å; G366-G368 PolarHBondContact O-N 3.48Å
367	E	27.2	Very low	30.1	Very low	213 Å²	213	134.7 Å²	134.7	100%	0.995	81%	0.811	S	S	*	*			trans	-67.8	88.8	150.1	-74.1	-175	128.1	0	0	109.1
368	G	27.6	Very low	29.7	Very low	72 Å²	72	136.5 Å²	136.5	74%	0.742	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-90.7	138.2	173.4	0	0	0	0	0	112.1	G366	G366-G368 VanDerWaalsContact C-N 3.26Å; G366-G368 PolarHBondContact O-N 3.48Å
369	V	31.2	Very low	29.1	Very low	150 Å²	150	131.2 Å²	131.2	91%	0.909	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-87.4	122.8	-179.4	172.8	0	0	0	0	110.8
370	G	27	Very low	28.9	Very low	53 Å²	53	132 Å²	132	55%	0.546	82%	0.817	S	S	.	*	P	Polyproline II helix	trans	-81.8	164.7	159.3	0	0	0	0	0	111.5
371	D	27.1	Very low	28.7	Very low	174 Å²	174	129.6 Å²	129.6	93%	0.93	82%	0.816	S	S	*	*			cis	-135.7	-174.2	13.7	-85.1	-61.2	0	0	0	113.1
372	R	27.3	Very low	28.7	Very low	222 Å²	222	128.9 Å²	128.9	84%	0.838	82%	0.818	S	S	*	*			trans	-147.8	140.2	-157.3	-152.5	-168.3	-173	179.2	3.2	113.6
373	V	29.6	Very low	28.3	Very low	131 Å²	131	126.1 Å²	126.1	79%	0.794	81%	0.813	S	S	*	*			trans	59.1	170.1	164.2	-82.8	0	0	0	0	116.5
374	P	48.8	Very low	29.2	Very low	107 Å²	107	128.7 Å²	128.7	70%	0.695	82%	0.817	S	S	*	*			cis	-111	177.5	0.8	42.5	-29	0	0	0	113.6
375	N	27.9	Very low	29.3	Very low	151 Å²	151	124.7 Å²	124.7	81%	0.807	81%	0.812	S	S	*	*			cis	-153.9	164.7	30.6	-131.9	-24.9	0	0	0	114.2
376	G	23.6	Very low	29.1	Very low	60 Å²	60	118.8 Å²	118.8	62%	0.619	80%	0.802	S	S	*	*			trans	-89.1	-159.4	156.7	0	0	0	0	0	110.5
377	I	26.8	Very low	29.8	Very low	156 Å²	156	120 Å²	120	80%	0.8	80%	0.796	S	S	*	*			cis	-157.8	141.8	14.3	-63.9	168.6	0	0	0	107.3
378	L	26.8	Very low	29.8	Very low	176 Å²	176	120.5 Å²	120.5	92%	0.921	79%	0.791	S	S	*	*				174.5	165.8	128.7	-94.4	174.7	0	0	0	111.9
379	A	25.8	Very low	29.7	Very low	102 Å²	102	120.4 Å²	120.4	84%	0.843	79%	0.79	S	S	*	*			trans	-131.1	161.4	-170.5	0	0	0	0	0	112.3
380	G	24.9	Very low	29.5	Very low	81 Å²	81	122.4 Å²	122.4	84%	0.835	79%	0.789	S	S	*	*			trans	163.8	133.8	173.3	0	0	0	0	0	110
381	G	26.1	Very low	30.4	Very low	82 Å²	82	125.2 Å²	125.2	85%	0.845	80%	0.798	S	S	*	*			trans	-141.1	140.9	-178.5	0	0	0	0	0	112
382	A	25.7	Very low	31.2	Very low	106 Å²	106	122.2 Å²	122.2	88%	0.876	79%	0.787	S	S	*	*			trans	-158.6	144.8	169.4	0	0	0	0	0	110.3
383	G	25.7	Very low	31.3	Very low	69 Å²	69	122.1 Å²	122.1	71%	0.711	79%	0.789	S	S	*	*			trans	-114.8	-168.6	144.2	0	0	0	0	0	108.1
384	P	47.3	Very low	31.8	Very low	126 Å²	126	121.3 Å²	121.3	82%	0.818	79%	0.786	S	S	*	*			cis	-134.4	-151.9	9.5	43	-25	0	0	0	112.8
385	S	28.5	Very low	30.6	Very low	121 Å²	121	121.9 Å²	121.9	85%	0.846	79%	0.791	S	S	*	*			trans	100	134.6	164.3	74.4	0	0	0	0	118.9
386	G	25.6	Very low	30.5	Very low	67 Å²	67	121.6 Å²	121.6	69%	0.691	78%	0.783	S	S	*	*			trans	-108.4	-141.2	165.6	0	0	0	0	0	109.7
387	P	44.5	Very low	30.6	Very low	101 Å²	101	128 Å²	128	66%	0.656	80%	0.797	S	S	*	*			cis	-108.5	-167.4	8.7	15.3	10.3	0	0	0	111.5
388	Y	28	Very low	30.6	Very low	224 Å²	224	127.1 Å²	127.1	88%	0.878	79%	0.789	S	S	*	*			cis	-141.3	-165.2	19.8	-51.7	-102.7	0	0	0	109.3
389	G	26.5	Very low	30.7	Very low	70 Å²	70	127.9 Å²	127.9	72%	0.722	79%	0.788	S	S	*	*			cis	175.3	169	2.7	0	0	0	0	0	112.5
390	E	25.2	Very low	30.8	Very low	192 Å²	192	131 Å²	131	90%	0.897	79%	0.785	S	S	*	*			trans	-155.7	174.1	-176.4	-78.5	-166.4	132.4	0	0	110.3
391	P	47.1	Very low	30.9	Very low	112 Å²	112	133.6 Å²	133.6	73%	0.727	78%	0.78	S	S	*	*			cis	-125.1	-142	-41.3	38.3	-19	0	0	0	108.6
392	P	43.8	Very low	31	Very low	110 Å²	110	132.7 Å²	132.7	71%	0.714	77%	0.77	S	S	*	*			cis	-132.5	-164.3	-19.3	40.1	-19.1	0	0	0	115.7
393	Y	28.6	Very low	31.1	Very low	221 Å²	221	136.5 Å²	136.5	87%	0.867	77%	0.767	S	S	*	*			trans	-41.9	177.4	168.3	-62.1	-81.3	0	0	0	118.3
394	P	40.7	Very low	31.1	Very low	113 Å²	113	139.5 Å²	139.5	73%	0.734	77%	0.767	S	S	*	*			cis	-143.2	-177.3	13.9	45.2	-27	0	0	0	118
395	C	22.8	Very low	30.1	Very low	119 Å²	119	138.2 Å²	138.2	80%	0.804	77%	0.767	S	S	*	*			trans	161.8	158	141.3	-88.5	0	0	0	0	111.2
396	K	26.3	Very low	30	Very low	145 Å²	145	136.6 Å²	136.6	63%	0.63	76%	0.755	S	S	*	*			cis	-171.3	136.5	-37.1	-139	-169.1	175.6	-147.6	0	107.4	E398	K396-E398 WeakPolarHBondContact CE-OE1 3.38Å; K396-E398 IonicContact NZ-OE1 2.69Å; K396-E398 PolarHBondContact NZ-OE1 2.81Å; K396-E398 IonicContact NZ-OE2 2.7Å; K396-E398 PolarHBondContact NZ-OE2 3.46Å
397	E	25.8	Very low	30.1	Very low	196 Å²	196	142 Å²	142	92%	0.916	76%	0.762	S	S	*	*			trans	-133.1	128.1	169.7	-70.7	-174.8	156.4	0	0	109.3
398	E	27	Very low	29.2	Very low	136 Å²	136	143.5 Å²	143.5	64%	0.636	77%	0.765	S	S	*	*			trans	-141.2	109.2	176.9	-72.6	168.9	161.6	0	0	105.1	K396	K396-E398 WeakPolarHBondContact CE-OE1 3.38Å; K396-E398 IonicContact NZ-OE1 2.69Å; K396-E398 PolarHBondContact NZ-OE1 2.81Å; K396-E398 IonicContact NZ-OE2 2.7Å; K396-E398 PolarHBondContact NZ-OE2 3.46Å
399	E	28.8	Very low	29.3	Very low	193 Å²	193	137.4 Å²	137.4	90%	0.902	76%	0.756	S	S	*	*				64.3	122.1	99.3	-72.5	-156.7	140.4	0	0	116.3
400	E	28.8	Very low	29.3	Very low	168 Å²	168	137.9 Å²	137.9	79%	0.785	75%	0.753	S	S	*	*				-162.7	145	116.8	-122.9	-160.8	143.1	0	0	113.2
401	N	26.1	Very low	29.5	Very low	134 Å²	134	137.4 Å²	137.4	72%	0.717	75%	0.75	S	S	*	*			trans	44.7	140	156.9	-61.4	-43.1	0	0	0	122.2
402	G	28	Very low	28.6	Very low	63 Å²	63	136.7 Å²	136.7	65%	0.649	75%	0.748	S	S	*	*			cis	144.9	153.6	-6.5	0	0	0	0	0	113.7
403	K	28.7	Very low	27.9	Very low	187 Å²	187	135.2 Å²	135.2	81%	0.813	75%	0.753	S	S	*	*			trans	70.5	153.8	168.6	-58.3	-173.2	172.7	-175.9	0	117.4
404	D	25.4	Very low	27.9	Very low	132 Å²	132	129.8 Å²	129.8	71%	0.706	75%	0.747	S	S	*	*			cis	-162.5	148.5	-21.8	-96.9	-26.6	0	0	0	107.5
405	A	26.4	Very low	27.3	Very low	98 Å²	98	133.8 Å²	133.8	81%	0.81	76%	0.756	S	S	*	*			trans	61	168.4	157.9	0	0	0	0	0	118.1
406	S	27	Very low	27.4	Very low	87 Å²	87	132.3 Å²	132.3	61%	0.608	76%	0.761	S	S	*	*			cis	-168.5	144.6	-34.9	52.1	0	0	0	0	108.7
407	E	27.2	Very low	27.4	Very low	180 Å²	180	128.6 Å²	128.6	84%	0.841	76%	0.764	S	S	*	*			trans	63.7	165.1	157.9	-64.6	157.2	-171.3	0	0	115.4
408	D	26	Very low	27.5	Very low	134 Å²	134	125.6 Å²	125.6	72%	0.717	76%	0.764	S	S	*	*			cis	-144.1	165	-17	-144	-30.2	0	0	0	111.6
409	S	29.3	Very low	27.5	Very low	96 Å²	96	122.3 Å²	122.3	67%	0.671	77%	0.767	S	S	*	*			trans	21.4	115.1	143.9	-66.6	0	0	0	0	122.5
410	A	26.6	Very low	27.4	Very low	80 Å²	80	122.5 Å²	122.5	66%	0.661	77%	0.768	S	S	*	*				88	154.7	113.4	0	0	0	0	0	123
411	Q	30	Very low	27.3	Very low	181 Å²	181	118.6 Å²	118.6	85%	0.846	77%	0.765	S	S	*	*			trans	67.8	162.4	156.7	-74.1	169.2	-103.4	0	0	119.6
412	S	28.4	Very low	27.3	Very low	97 Å²	97	117.4 Å²	117.4	68%	0.678	77%	0.766	S	S	*	*			cis	-178.7	125.9	-48.8	52.7	0	0	0	0	109
413	G	27.7	Very low	27.3	Very low	79 Å²	79	119 Å²	119	81%	0.814	77%	0.773	S	S	*	*			trans	69.7	179.5	-179.4	0	0	0	0	0	113.7
414	S	29.5	Very low	27.2	Very low	108 Å²	108	117.6 Å²	117.6	76%	0.755	77%	0.77	S	S	*	*			cis	-162.5	144.1	-15.2	46.3	0	0	0	0	110.6
415	E	26.9	Very low	27	Very low	197 Å²	197	120.3 Å²	120.3	92%	0.921	77%	0.771	S	S	*	*			trans	32.6	113.8	151.3	-57.1	-173.3	121.6	0	0	121.9
416	G	25.9	Very low	27.1	Very low	87 Å²	87	123 Å²	123	90%	0.897	77%	0.769	S	S	*	*			trans	93.4	153.6	131	0	0	0	0	0	119
417	G	26.1	Very low	26.9	Very low	68 Å²	68	126.5 Å²	126.5	70%	0.701	77%	0.77	S	S	*	*			trans	155.7	-7.9	144.9	0	0	0	0	0	124.6
418	S	27.6	Very low	26.7	Very low	132 Å²	132	128.3 Å²	128.3	92%	0.923	77%	0.769	S	S	*	*			trans	65.1	162.5	162.5	77	0	0	0	0	121.4
419	G	26.4	Very low	26.7	Very low	68 Å²	68	128.2 Å²	128.2	70%	0.701	76%	0.764	S	S	*	*			trans	86.6	139.7	173.4	0	0	0	0	0	114.6
420	H	27.1	Very low	26.7	Very low	196 Å²	196	131.5 Å²	131.5	91%	0.907	77%	0.769	S	S	*	*			cis	-152.3	164.9	-4.8	-125.4	-116.7	0	0	0	105.9
421	A	27.6	Very low	26.6	Very low	87 Å²	87	131.7 Å²	131.7	72%	0.719	78%	0.779	S	S	*	*			cis	-150.6	170.3	7.5	0	0	0	0	0	110.6
422	S	24.6	Very low	26.5	Very low	108 Å²	108	131.9 Å²	131.9	76%	0.755	77%	0.773	S	S	*	*			trans	-86.4	158.5	-176.4	-50.3	0	0	0	0	115.2
423	A	28.7	Very low	26.3	Very low	96 Å²	96	135.8 Å²	135.8	79%	0.793	78%	0.781	S	S	*	*			trans	-122.9	140.3	142.5	0	0	0	0	0	108.7
424	H	25.9	Very low	26.3	Very low	159 Å²	159	137.5 Å²	137.5	74%	0.736	78%	0.776	S	S	*	*			trans	-80.3	153.7	-176.7	-77.7	-129.9	0	0	0	110.8
425	Y	22.1	Very low	26.2	Very low	189 Å²	189	137.5 Å²	137.5	74%	0.741	77%	0.771	S	S	*	*				53.1	139.8	59.9	-79	-70.5	0	0	0	112
426	M	27.4	Very low	26.3	Very low	155 Å²	155	133 Å²	133	76%	0.764	76%	0.761	S	S	*	*			cis	-138.4	178.9	15.1	-74.1	-68.8	179.2	0	0	109.8
427	Y	24.5	Very low	26.7	Very low	159 Å²	159	139.1 Å²	139.1	62%	0.624	76%	0.758	S	S	*	*			cis	171.3	143.3	-39.8	-179.2	-118.7	0	0	0	107.9	Q429	Y427-Q429 HydrophobicContact CD1-CB 4.46Å; Y427-Q429 HydrophobicContact CE1-CB 3.63Å; Y427-Q429 HydrophobicContact CE1-CG 4.33Å
428	R	22.1	Very low	27.4	Very low	218 Å²	218	138.2 Å²	138.2	82%	0.823	75%	0.75	S	S	*	*			trans	-149.9	146.8	162.9	-159.4	168.7	-175.1	147.7	3.4	111.7	E430	R428-E430 IonicContact NE-OE1 3.91Å; R428-E430 IonicContact NH2-OE1 3.9Å
429	Q	26.5	Very low	28.6	Very low	133 Å²	133	138.1 Å²	138.1	62%	0.621	74%	0.738	S	S	*	*			trans	-144.8	117.4	-160.9	172.7	-171.4	14.1	0	0	109.4	Y427	Y427-Q429 HydrophobicContact CD1-CB 4.46Å; Y427-Q429 HydrophobicContact CE1-CB 3.63Å; Y427-Q429 HydrophobicContact CE1-CG 4.33Å
430	E	29.2	Very low	29.8	Very low	164 Å²	164	138.8 Å²	138.8	77%	0.766	73%	0.726	S	S	*	*			trans	-145.1	144.6	167.4	-67.1	-173.5	-165	0	0	109.6	R428	R428-E430 IonicContact NE-OE1 3.91Å; R428-E430 IonicContact NH2-OE1 3.9Å
431	G	25.3	Very low	31.2	Very low	84 Å²	84	135.8 Å²	135.8	87%	0.866	72%	0.716	S	S	*	*			trans	67	62.3	157.8	0	0	0	0	0	118.9
432	Y	26.4	Very low	32.5	Very low	185 Å²	185	136.2 Å²	136.2	73%	0.725	70%	0.7	S	S	*	*			trans	-99.5	112.7	145.5	90.6	-98	0	0	0	108.6	T434	Y432-T434 HydrophobicContact CD2-CG2 3.86Å; Y432-T434 HydrophobicContact CE2-CG2 3.85Å
433	E	24.1	Very low	34.5	Very low	180 Å²	180	134.9 Å²	134.9	84%	0.841	69%	0.687	S	S	*	*			trans	-97.5	108	157.1	-73.9	-165.9	143.1	0	0	107.1	V435	E433-V435 PolarHBondContact O-N 3.11Å
434	T	27.9	Very low	36.2	Very low	115 Å²	115	130.3 Å²	130.3	71%	0.706	65%	0.649	S	S	*	*			trans	-68.4	86.2	163.1	36.6	0	0	0	0	108.3	Y432 S436	Y432-T434 HydrophobicContact CD2-CG2 3.86Å; Y432-T434 HydrophobicContact CE2-CG2 3.85Å; T434-S436 VanDerWaalsContact C-N 3.31Å; T434-S436 PolarHBondContact O-N 3.3Å
435	V	26.9	Very low	37.7	Very low	108 Å²	108	130.4 Å²	130.4	66%	0.655	65%	0.653	S	S	*	*			trans	-60.5	101	161	177.9	0	0	0	0	106.5	E433 Y437	E433-V435 PolarHBondContact O-N 3.11Å; V435-Y437 PolarHBondContact O-N 3.09Å
436	S	30	Very low	39.5	Very low	103 Å²	103	126.1 Å²	126.1	72%	0.72	65%	0.649	S	S	*	*			trans	-66.1	101.3	174.5	54.5	0	0	0	0	108.3	T434 G438	T434-S436 VanDerWaalsContact C-N 3.31Å; T434-S436 PolarHBondContact O-N 3.3Å; S436-G438 VanDerWaalsContact C-N 3.26Å; S436-G438 PolarHBondContact O-N 3.23Å
437	Y	33.2	Very low	41.4	Very low	214 Å²	214	121 Å²	121	84%	0.839	63%	0.627	S	S	*	*			trans	-60	98.2	158.3	-88	-92.7	0	0	0	106.9	V435 D439	V435-Y437 PolarHBondContact O-N 3.09Å; Y437-D439 PolarHBondContact O-N 2.98Å
438	G	41.3	Very low	43.4	Very low	50 Å²	50	117.1 Å²	117.1	52%	0.515	63%	0.628	S	S	.	*			trans	-57.7	131.3	179.6	0	0	0	0	0	109.8	S436 N440	S436-G438 VanDerWaalsContact C-N 3.26Å; S436-G438 PolarHBondContact O-N 3.23Å; G438-N440 PolarHBondContact O-N 2.86Å
439	D	53	Low	45.4	Very low	129 Å²	129	112.3 Å²	112.3	69%	0.69	61%	0.613	S	S	*	*			trans	-66.9	82.1	-178.7	-74.1	-62.7	0	0	0	110.6	Y437 L441	Y437-D439 PolarHBondContact O-N 2.98Å; D439-L441 HydrophobicContact CB-CD1 4.44Å; D439-L441 HydrophobicContact CB-CG 4.23Å; D439-L441 PolarHBondContact O-N 3.42Å
440	N	52.9	Low	47.2	Very low	82 Å²	82	107.4 Å²	107.4	44%	0.439	60%	0.599	S	S	.	*			trans	-72.8	68.8	174.9	-78.8	-23.2	0	0	0	110.3	G438 Y442 F451 P452	G438-N440 PolarHBondContact O-N 2.86Å; N440-Y442 PolarHBondContact O-N 3Å; N440-F451 CarbonylContact C-O 3.54Å; N440-F451 VanDerWaalsContact CA-O 3.31Å; N440-F451 WeakPolarHBondContact CA-O 3.22Å; N440-F451 VanDerWaalsContact OD1-C 3.23Å; N440-P452 WeakPolarHBondContact OD1-CD 3.36Å
441	L	56.6	Low	49.2	Very low	133 Å²	133	101.2 Å²	101.2	70%	0.696	57%	0.569	S	S	*	*			trans	-64.3	-20.8	-177.6	-70.3	162.3	0	0	0	113	D439 F451	D439-L441 HydrophobicContact CB-CD1 4.44Å; D439-L441 HydrophobicContact CB-CG 4.23Å; D439-L441 PolarHBondContact O-N 3.42Å; L441-F451 PolarHBondContact N-O 3.19Å
442	Y	54.1	Low	51.2	Low	96 Å²	96	100.5 Å²	100.5	38%	0.376	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.4	-175.5	-60.9	-85.1	0	0	0	109.8	N440 G450 F451 S453 L457	N440-Y442 PolarHBondContact O-N 3Å; Y442-G450 CarbonylContact O-C 3.51Å; Y442-G450 WeakPolarHBondContact O-CA 3.26Å; Y442-F451 PolarHBondContact N-O 2.95Å; Y442-F451 VanDerWaalsContact N-O 3.14Å; Y442-F451 PolarHBondContact O-N 3.1Å; Y442-S453 VanDerWaalsContact CD2-C 3.45Å; Y442-L457 HydrophobicContact CD1-CD2 4.39Å
443	V	65.6	Low	53.3	Low	80 Å²	80	93.2 Å²	93.2	49%	0.485	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.8	-176.8	-177.8	0	0	0	0	110.7	I445 K449	V443-I445 PolarHBondContact O-N 3.41Å; V443-K449 WeakPolarHBondContact CA-O 3.35Å
444	C	66.1	Low	55.2	Low	1 Å²	1	86.9 Å²	86.9	1%	0.007	50%	0.501	C	S	.	.			trans	-71.6	113.8	178.6	-173.3	0	0	0	0	110.7	C447 A448 K449 F451 L457 H460	C444-C447 PolarHBondContact O-N 3.12Å; C444-A448 VanDerWaalsContact O-CA 3.24Å; C444-A448 WeakPolarHBondContact O-CA 3.36Å; C444-A448 PolarHBondContact O-N 3.42Å; C444-K449 PolarHBondContact N-O 3.41Å; C444-F451 HydrophobicContact CB-CE2 4Å; C444-L457 HydrophobicContact CB-CD1 3.6Å; C444-H460 VanDerWaalsContact SG-CD2 3.5Å
445	I	55.7	Low	57.1	Low	160 Å²	160	89 Å²	89	82%	0.821	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-38.7	-172.6	-61.6	174.4	0	0	0	113.4	V443	V443-I445 PolarHBondContact O-N 3.41Å
446	P	60.5	Low	58.7	Low	99 Å²	99	88.9 Å²	88.9	64%	0.643	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-46.7	173.5	-30	35.9	0	0	0	115.6
447	C	66.9	Low	60.7	Low	47 Å²	47	85.1 Å²	85.1	32%	0.318	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-2	-166.6	68.9	0	0	0	0	115.2	C444 K449 H460	C444-C447 PolarHBondContact O-N 3.12Å; C447-K449 PolarHBondContact O-N 2.96Å; C447-K449 VanDerWaalsContact O-N 3.14Å; C447-H460 PolarHBondContact SG-NE2 3.39Å
448	A	66.6	Low	62.2	Low	78 Å²	78	78.7 Å²	78.7	65%	0.645	45%	0.447	S	S	*	.			trans	58.8	13.3	-176	0	0	0	0	0	116.6	C444	C444-A448 VanDerWaalsContact O-CA 3.24Å; C444-A448 WeakPolarHBondContact O-CA 3.36Å; C444-A448 PolarHBondContact O-N 3.42Å
449	K	64.5	Low	63.7	Low	117 Å²	117	78.9 Å²	78.9	51%	0.509	44%	0.444	S	S	.	.			trans	-65.6	133	170.7	-69.5	176.9	-178.8	171.8	0	110.3	V443 C444 C447 F451	V443-K449 WeakPolarHBondContact CA-O 3.35Å; C444-K449 PolarHBondContact N-O 3.41Å; C447-K449 PolarHBondContact O-N 2.96Å; C447-K449 VanDerWaalsContact O-N 3.14Å; K449-F451 HydrophobicContact CB-CE2 3.6Å; K449-F451 HydrophobicContact CB-CZ 3.83Å; K449-F451 WeakPolarHBondContact O-CD2 3.3Å; K449-F451 WeakPolarHBondContact O-CE2 3.34Å
450	G	64.8	Low	64.7	Low	30 Å²	30	73.9 Å²	73.9	31%	0.309	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	145.4	175.6	0	0	0	0	0	112.2	Y442	Y442-G450 CarbonylContact O-C 3.51Å; Y442-G450 WeakPolarHBondContact O-CA 3.26Å
451	F	71.6	Confident	65.4	Low	35 Å²	35	73.1 Å²	73.1	15%	0.154	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.3	-176.3	-61.7	-89.2	0	0	0	110.5	N440 L441 Y442 C444 K449 Q456 L457 H460	N440-F451 CarbonylContact C-O 3.54Å; N440-F451 VanDerWaalsContact CA-O 3.31Å; N440-F451 WeakPolarHBondContact CA-O 3.22Å; N440-F451 VanDerWaalsContact OD1-C 3.23Å; L441-F451 PolarHBondContact N-O 3.19Å; Y442-F451 PolarHBondContact N-O 2.95Å; Y442-F451 VanDerWaalsContact N-O 3.14Å; Y442-F451 PolarHBondContact O-N 3.1Å; C444-F451 HydrophobicContact CB-CE2 4Å; K449-F451 HydrophobicContact CB-CE2 3.6Å; K449-F451 HydrophobicContact CB-CZ 3.83Å; K449-F451 WeakPolarHBondContact O-CD2 3.3Å; K449-F451 WeakPolarHBondContact O-CE2 3.34Å; F451-Q456 HydrophobicContact CB-CB 4.35Å; F451-Q456 HydrophobicContact CD1-CB 4Å; F451-L457 HydrophobicContact CB-CB 4.33Å; F451-L457 HydrophobicContact CD2-CB 4.33Å; F451-L457 HydrophobicContact CD2-CD1 3.94Å; F451-L457 HydrophobicContact CE2-CD1 4.27Å; F451-L457 HydrophobicContact CG-CB 4.43Å; F451-H460 HydrophobicContact CE1-CB 3.9Å; F451-H460 HydrophobicContact CE2-CB 4.13Å; F451-H460 AromaticContact CE2-CD2 3.38Å; F451-H460 WeakPolarHBondContact CE2-CD2 3.29Å; F451-H460 AromaticContact CE2-CG 3.94Å; F451-H460 HydrophobicContact CZ-CB 3.56Å; F451-H460 AromaticContact CZ-CD2 3.24Å; F451-H460 WeakPolarHBondContact CZ-CD2 3.47Å; F451-H460 AromaticContact CZ-CG 3.38Å
452	P	66.9	Low	65.9	Low	69 Å²	69	73.3 Å²	73.3	45%	0.448	41%	0.412	S	S	.	.	S	Bend	trans	-79	-15.5	-179.7	32.1	-36.4	0	0	0	113.5	N440 Q456	N440-P452 WeakPolarHBondContact OD1-CD 3.36Å; P452-Q456 VanDerWaalsContact CD-OE1 3.29Å; P452-Q456 VanDerWaalsContact CG-OE1 3.3Å
453	S	70.8	Confident	66.3	Low	32 Å²	32	73.2 Å²	73.2	22%	0.224	42%	0.421	C	S	.	.	S	Bend	trans	-136.9	153.9	176.8	80	0	0	0	0	113.2	Y442 E455 Q456 L457	Y442-S453 VanDerWaalsContact CD2-C 3.45Å; S453-E455 VanDerWaalsContact C-N 3.25Å; S453-E455 PolarHBondContact O-N 3.01Å; S453-Q456 PolarHBondContact O-N 3.3Å; S453-Q456 WeakPolarHBondContact OG-CG 3.34Å; S453-Q456 PolarHBondContact OG-N 3.45Å; S453-L457 PolarHBondContact O-N 3.18Å
454	S	62.4	Low	66.1	Low	46 Å²	46	71.6 Å²	71.6	32%	0.322	41%	0.408	S	S	.	.	H	α-helix	trans	-66.8	-26.9	176.7	-165.5	0	0	0	0	112.7	L457 N458	S454-L457 PolarHBondContact O-N 3.33Å; S454-N458 WeakPolarHBondContact O-CB 3.4Å; S454-N458 PolarHBondContact O-N 3.28Å; S454-N458 PolarHBondContact O-OD1 3.25Å
455	E	69.1	Low	65.7	Low	161 Å²	161	76.9 Å²	76.9	75%	0.752	44%	0.44	S	S	*	.	H	α-helix	trans	-69.4	-42	177.8	-65.4	167.5	165.8	0	0	110.6	S453 N458 A459	S453-E455 VanDerWaalsContact C-N 3.25Å; S453-E455 PolarHBondContact O-N 3.01Å; E455-N458 PolarHBondContact O-N 3.13Å; E455-A459 WeakPolarHBondContact O-CB 3.36Å; E455-A459 PolarHBondContact O-N 3.31Å
456	Q	60.2	Low	65.5	Low	104 Å²	104	77.9 Å²	77.9	49%	0.486	44%	0.442	S	S	.	.	H	α-helix	trans	-70	-34.2	174.3	-67.6	175.9	8.9	0	0	112	F451 P452 S453 H460	F451-Q456 HydrophobicContact CB-CB 4.35Å; F451-Q456 HydrophobicContact CD1-CB 4Å; P452-Q456 VanDerWaalsContact CD-OE1 3.29Å; P452-Q456 VanDerWaalsContact CG-OE1 3.3Å; S453-Q456 PolarHBondContact O-N 3.3Å; S453-Q456 WeakPolarHBondContact OG-CG 3.34Å; S453-Q456 PolarHBondContact OG-N 3.45Å; Q456-H460 WeakPolarHBondContact O-CB 3.45Å; Q456-H460 PolarHBondContact O-N 3.3Å; Q456-H460 VanDerWaalsContact O-N 3.08Å
457	L	72.8	Confident	65	Low	24 Å²	24	81.7 Å²	81.7	13%	0.126	45%	0.451	C	S	.	.	H	α-helix	trans	-63.2	-47	169.3	174.6	62	0	0	0	111.3	Y442 C444 F451 S453 S454 H460 V461	Y442-L457 HydrophobicContact CD1-CD2 4.39Å; C444-L457 HydrophobicContact CB-CD1 3.6Å; F451-L457 HydrophobicContact CB-CB 4.33Å; F451-L457 HydrophobicContact CD2-CB 4.33Å; F451-L457 HydrophobicContact CD2-CD1 3.94Å; F451-L457 HydrophobicContact CE2-CD1 4.27Å; F451-L457 HydrophobicContact CG-CB 4.43Å; S453-L457 PolarHBondContact O-N 3.18Å; S454-L457 PolarHBondContact O-N 3.33Å; L457-H460 CarbonylContact O-C 3.49Å; L457-H460 PolarHBondContact O-N 3.43Å; L457-V461 HydrophobicContact CD1-CG2 3.89Å; L457-V461 HydrophobicContact CG-CG2 4.23Å; L457-V461 WeakPolarHBondContact O-CG2 3.3Å; L457-V461 PolarHBondContact O-N 3.36Å
458	N	63.9	Low	64.2	Low	79 Å²	79	86.5 Å²	86.5	42%	0.422	47%	0.469	S	S	.	.	H	α-helix	trans	-65.8	-47.8	-176.9	-72.2	-2.1	0	0	0	111.5	S454 E455 H460 V461 E462	S454-N458 WeakPolarHBondContact O-CB 3.4Å; S454-N458 PolarHBondContact O-N 3.28Å; S454-N458 PolarHBondContact O-OD1 3.25Å; E455-N458 PolarHBondContact O-N 3.13Å; N458-H460 PolarHBondContact O-N 3.43Å; N458-V461 CarbonylContact O-C 3.32Å; N458-V461 WeakPolarHBondContact O-CA 3.2Å; N458-V461 PolarHBondContact O-N 3.45Å; N458-E462 WeakPolarHBondContact O-CG 3.33Å; N458-E462 PolarHBondContact O-N 3.38Å
459	A	72.9	Confident	63	Low	54 Å²	54	91.1 Å²	91.1	45%	0.446	48%	0.482	S	S	.	.	H	α-helix	trans	-58.1	-32.9	173.2	0	0	0	0	0	112.2	E455 T463	E455-A459 WeakPolarHBondContact O-CB 3.36Å; E455-A459 PolarHBondContact O-N 3.31Å; A459-T463 PolarHBondContact O-N 3.08Å
460	H	74.7	Confident	61.8	Low	25 Å²	25	93.5 Å²	93.5	12%	0.116	49%	0.492	C	S	.	.	H	α-helix	trans	-73.8	-40.2	171.1	178.1	46.4	0	0	0	112.9	C444 C447 F451 Q456 L457 N458 E462 T463 H464	C444-H460 VanDerWaalsContact SG-CD2 3.5Å; C447-H460 PolarHBondContact SG-NE2 3.39Å; F451-H460 HydrophobicContact CE1-CB 3.9Å; F451-H460 HydrophobicContact CE2-CB 4.13Å; F451-H460 AromaticContact CE2-CD2 3.38Å; F451-H460 WeakPolarHBondContact CE2-CD2 3.29Å; F451-H460 AromaticContact CE2-CG 3.94Å; F451-H460 HydrophobicContact CZ-CB 3.56Å; F451-H460 AromaticContact CZ-CD2 3.24Å; F451-H460 WeakPolarHBondContact CZ-CD2 3.47Å; F451-H460 AromaticContact CZ-CG 3.38Å; Q456-H460 WeakPolarHBondContact O-CB 3.45Å; Q456-H460 PolarHBondContact O-N 3.3Å; Q456-H460 VanDerWaalsContact O-N 3.08Å; L457-H460 CarbonylContact O-C 3.49Å; L457-H460 PolarHBondContact O-N 3.43Å; N458-H460 PolarHBondContact O-N 3.43Å; H460-E462 PolarHBondContact O-N 3.13Å; H460-T463 PolarHBondContact ND1-OG1 3.41Å; H460-T463 WeakPolarHBondContact O-CA 3.44Å; H460-T463 WeakPolarHBondContact O-CB 3.13Å; H460-T463 PolarHBondContact O-N 3.2Å; H460-T463 PolarHBondContact O-OG1 3.04Å; H460-H464 AromaticContact CD2-NE2 3.89Å; H460-H464 AromaticContact CE1-CD2 3.85Å; H460-H464 AromaticContact CE1-NE2 3.19Å; H460-H464 PolarHBondContact CE1-NE2 2.77Å; H460-H464 AromaticContact NE2-CD2 3.86Å; H460-H464 AromaticContact NE2-NE2 3.02Å; H460-H464 PolarHBondContact NE2-NE2 3.31Å; H460-H464 PolarHBondContact O-CD2 3.4Å; H460-H464 VanDerWaalsContact O-CD2 3.3Å
461	V	67.1	Low	60.3	Low	66 Å²	66	100.3 Å²	100.3	40%	0.4	52%	0.52	S	S	.	.	H	α-helix	trans	-61.5	-33.7	175.1	168.7	0	0	0	0	111.2	L457 N458 T463 H464	L457-V461 HydrophobicContact CD1-CG2 3.89Å; L457-V461 HydrophobicContact CG-CG2 4.23Å; L457-V461 WeakPolarHBondContact O-CG2 3.3Å; L457-V461 PolarHBondContact O-N 3.36Å; N458-V461 CarbonylContact O-C 3.32Å; N458-V461 WeakPolarHBondContact O-CA 3.2Å; N458-V461 PolarHBondContact O-N 3.45Å; V461-T463 PolarHBondContact O-N 3.06Å; V461-H464 WeakPolarHBondContact O-CB 3.38Å; V461-H464 PolarHBondContact O-N 3.49Å
462	E	66.3	Low	58.3	Low	137 Å²	137	106.4 Å²	106.4	64%	0.64	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-66.8	-20	171.6	-71.6	159.3	-162.8	0	0	112.8	N458 H460 H464 T465	N458-E462 WeakPolarHBondContact O-CG 3.33Å; N458-E462 PolarHBondContact O-N 3.38Å; H460-E462 PolarHBondContact O-N 3.13Å; E462-H464 VanDerWaalsContact C-N 3.33Å; E462-T465 PolarHBondContact O-OG1 2.84Å; E462-T465 VanDerWaalsContact O-OG1 3.09Å
463	T	63.3	Low	57	Low	94 Å²	94	111.6 Å²	111.6	58%	0.577	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-79.1	-7.2	168.5	64	0	0	0	0	114.5	A459 H460 V461	A459-T463 PolarHBondContact O-N 3.08Å; H460-T463 PolarHBondContact ND1-OG1 3.41Å; H460-T463 WeakPolarHBondContact O-CA 3.44Å; H460-T463 WeakPolarHBondContact O-CB 3.13Å; H460-T463 PolarHBondContact O-N 3.2Å; H460-T463 PolarHBondContact O-OG1 3.04Å; V461-T463 PolarHBondContact O-N 3.06Å
464	H	61.3	Low	55.3	Low	46 Å²	46	119.6 Å²	119.6	21%	0.213	60%	0.599	C	S	.	*	G	3₁₀ helix	trans	-84.5	-3.3	178.3	-77.9	-91	0	0	0	114.4	H460 V461 E462	H460-H464 AromaticContact CD2-NE2 3.89Å; H460-H464 AromaticContact CE1-CD2 3.85Å; H460-H464 AromaticContact CE1-NE2 3.19Å; H460-H464 PolarHBondContact CE1-NE2 2.77Å; H460-H464 AromaticContact NE2-CD2 3.86Å; H460-H464 AromaticContact NE2-NE2 3.02Å; H460-H464 PolarHBondContact NE2-NE2 3.31Å; H460-H464 PolarHBondContact O-CD2 3.4Å; H460-H464 VanDerWaalsContact O-CD2 3.3Å; V461-H464 WeakPolarHBondContact O-CB 3.38Å; V461-H464 PolarHBondContact O-N 3.49Å; E462-H464 VanDerWaalsContact C-N 3.33Å
465	T	57.3	Low	53.7	Low	111 Å²	111	120.9 Å²	120.9	68%	0.681	62%	0.619	S	S	*	*	S	Bend	trans	-87.7	-21	-164.7	47.2	0	0	0	0	116.5	E462	E462-T465 PolarHBondContact O-OG1 2.84Å; E462-T465 VanDerWaalsContact O-OG1 3.09Å
466	E	52.3	Low	52.1	Low	182 Å²	182	118.3 Å²	118.3	85%	0.85	63%	0.625	S	S	*	*	S	Bend	trans	-127	-26.3	-168.9	-59.7	-160.7	146.9	0	0	118.3
467	E	50.4	Low	50.6	Low	178 Å²	178	123.2 Å²	123.2	83%	0.832	64%	0.641	S	S	*	*	S	Bend	trans	-125.5	-15.5	-174.5	-69.2	-155.9	131.3	0	0	119.1	L469	E467-L469 PolarHBondContact O-N 3.31Å
468	E	49.3	Very low	48.8	Very low	149 Å²	149	131 Å²	131	70%	0.696	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	49.1	-179.9	-72.1	-155.4	163.5	0	0	114.8
469	L	42	Very low	47.1	Very low	174 Å²	174	133.6 Å²	133.6	91%	0.911	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	4.3	162.3	-79.8	179	0	0	0	113.9	E467	E467-L469 PolarHBondContact O-N 3.31Å
470	F	37.7	Very low	45.1	Very low	168 Å²	168	134.7 Å²	134.7	74%	0.737	71%	0.712	S	S	*	*			trans	-115.3	59	-178.4	-143.9	-88.7	0	0	0	114.1	K472	F470-K472 VanDerWaalsContact C-N 3.28Å; F470-K472 HydrophobicContact CD1-CB 4.05Å; F470-K472 HydrophobicContact CD1-CG 4.46Å; F470-K472 HydrophobicContact CE1-CB 4.01Å; F470-K472 HydrophobicContact CE1-CD 4.15Å; F470-K472 HydrophobicContact CE1-CG 3.94Å; F470-K472 PolarHBondContact O-N 2.98Å
471	I	34.8	Very low	42.9	Very low	172 Å²	172	139.6 Å²	139.6	88%	0.882	75%	0.749	S	S	*	*			trans	-70.6	93.8	160.6	-59.4	-178.2	0	0	0	107.8
472	K	29.9	Very low	41	Very low	164 Å²	164	139.9 Å²	139.9	71%	0.713	77%	0.766	S	S	*	*			trans	-67.8	132.9	174.7	-161.7	175.3	-176.6	179.1	0	109.6	F470	F470-K472 VanDerWaalsContact C-N 3.28Å; F470-K472 HydrophobicContact CD1-CB 4.05Å; F470-K472 HydrophobicContact CD1-CG 4.46Å; F470-K472 HydrophobicContact CE1-CB 4.01Å; F470-K472 HydrophobicContact CE1-CD 4.15Å; F470-K472 HydrophobicContact CE1-CG 3.94Å; F470-K472 PolarHBondContact O-N 2.98Å
473	E	38.8	Very low	39.1	Very low	178 Å²	178	137.3 Å²	137.3	83%	0.832	78%	0.776	S	S	*	*	S	Bend	trans	-71.9	163.6	166.3	-68.5	-173	131.9	0	0	110.7
474	E	35.7	Very low	37.4	Very low	200 Å²	200	137.4 Å²	137.4	94%	0.935	79%	0.786	S	S	*	*			trans	74.9	127.1	-179.5	-52.1	-169.5	171.1	0	0	116.9
475	G	28.9	Very low	36.3	Very low	72 Å²	72	143.7 Å²	143.7	74%	0.742	82%	0.816	S	S	*	*			trans	163.1	53.3	-174	0	0	0	0	0	112.2
476	A	34.8	Very low	35.2	Very low	108 Å²	108	147.9 Å²	147.9	89%	0.893	83%	0.827	S	S	*	*			trans	-69.2	135.9	-178.6	0	0	0	0	0	111.8
477	Y	28.1	Very low	34.2	Very low	206 Å²	206	147.9 Å²	147.9	81%	0.808	83%	0.827	S	S	*	*			trans	-136	132.6	158	67.9	-87.6	0	0	0	109.6
478	E	34.7	Very low	33.4	Very low	189 Å²	189	144.2 Å²	144.2	88%	0.883	83%	0.827	S	S	*	*			trans	-86.4	143	174.2	-61.2	-178.2	141.9	0	0	109.8
479	T	30.1	Very low	32.9	Very low	132 Å²	132	145.8 Å²	145.8	81%	0.81	84%	0.835	S	S	*	*			trans	-157.9	111.5	150.9	-14.6	0	0	0	0	108.6
480	G	29.5	Very low	32.2	Very low	78 Å²	78	144.1 Å²	144.1	80%	0.804	83%	0.827	S	S	*	*			trans	-95.3	141.9	-167	0	0	0	0	0	115
481	S	28.7	Very low	32.5	Very low	127 Å²	127	144.1 Å²	144.1	89%	0.888	83%	0.834	S	S	*	*			trans	-168.8	146.9	152.7	54.5	0	0	0	0	107.7
482	G	27.2	Very low	32.3	Very low	73 Å²	73	141.5 Å²	141.5	75%	0.753	83%	0.831	S	S	*	*			cis	-151.7	163.4	-13.1	0	0	0	0	0	107.8
483	G	26.8	Very low	32.4	Very low	83 Å²	83	138.2 Å²	138.2	86%	0.856	83%	0.834	S	S	*	*			trans	-65.4	144.8	-169	0	0	0	0	0	115.1
484	A	28.1	Very low	33.4	Very low	96 Å²	96	135.7 Å²	135.7	79%	0.793	83%	0.833	S	S	*	*			trans	-139.3	113.1	148.3	0	0	0	0	0	106.2
485	E	38	Very low	33	Very low	178 Å²	178	132.4 Å²	132.4	83%	0.832	83%	0.832	S	S	*	*			trans	-69.6	140.9	175.4	52.6	-97.1	73	0	0	112.1
486	E	33.8	Very low	33.2	Very low	198 Å²	198	132.8 Å²	132.8	93%	0.925	83%	0.828	S	S	*	*			trans	-152.2	138.8	149	-128.9	170.2	-153.2	0	0	110.5
487	E	30.7	Very low	33.5	Very low	182 Å²	182	132.4 Å²	132.4	85%	0.85	83%	0.825	S	S	*	*			trans	-56.6	154.4	-165	-66.4	-86.5	62.6	0	0	115.7
488	A	34.7	Very low	34.2	Very low	101 Å²	101	133.5 Å²	133.5	84%	0.835	83%	0.83	S	S	*	*			trans	-90.6	129.7	161.9	0	0	0	0	0	110.1
489	E	37.2	Very low	34.6	Very low	183 Å²	183	129.1 Å²	129.1	86%	0.855	83%	0.825	S	S	*	*			trans	-123.9	150.2	172.7	-96.7	-68.2	-176.8	0	0	111.5
490	D	28.7	Very low	35.6	Very low	139 Å²	139	127.6 Å²	127.6	74%	0.743	83%	0.827	S	S	*	*			trans	-93.9	158.9	-144.9	-163.6	17.4	0	0	0	115.8	S492	D490-S492 PolarHBondContact O-N 3.31Å
491	L	43.9	Very low	37.2	Very low	167 Å²	167	129.1 Å²	129.1	87%	0.874	81%	0.813	S	S	*	*			trans	-86.1	99.9	173.4	-78.9	174.7	0	0	0	111.4
492	S	29.2	Very low	38.8	Very low	117 Å²	117	128.5 Å²	128.5	82%	0.818	81%	0.805	S	S	*	*			trans	-133.7	142	159.2	-84.9	0	0	0	0	111.9	D490	D490-S492 PolarHBondContact O-N 3.31Å
493	A	32.2	Very low	40.8	Very low	95 Å²	95	131 Å²	131	79%	0.785	79%	0.792	S	S	*	*			trans	-108.5	-163.6	-164	0	0	0	0	0	112.3
494	P	60.3	Low	43.1	Very low	126 Å²	126	131.2 Å²	131.2	82%	0.818	78%	0.779	S	S	*	*				-116.1	150.6	-96.4	35.5	-22.4	0	0	0	113.3
495	S	26.6	Very low	45.6	Very low	130 Å²	130	130.3 Å²	130.3	91%	0.909	76%	0.757	S	S	*	*			trans	-148.6	167.5	165	-161.6	0	0	0	0	112.6
496	A	33.7	Very low	47.7	Very low	80 Å²	80	129.2 Å²	129.2	66%	0.661	75%	0.75	S	S	*	*			trans	-79.1	157.3	-157.1	0	0	0	0	0	116.1
497	A	40.9	Very low	49.9	Very low	100 Å²	100	119.9 Å²	119.9	83%	0.826	71%	0.706	S	S	*	*			trans	56.4	62.4	144.2	0	0	0	0	0	118.2
498	Y	42.4	Very low	51.8	Low	230 Å²	230	116 Å²	116	90%	0.902	70%	0.699	S	S	*	*			trans	-92.3	143.4	144.5	-84.6	-94.3	0	0	0	110.1
499	A	44	Very low	53.3	Low	96 Å²	96	113.1 Å²	113.1	79%	0.793	67%	0.671	S	S	*	*			trans	-59.8	138.3	-168.6	0	0	0	0	0	112	E501	A499-E501 PolarHBondContact O-N 3.42Å
500	A	51.3	Low	55	Low	101 Å²	101	106.4 Å²	106.4	84%	0.835	64%	0.643	S	S	*	*			trans	-66.7	97.2	172.8	0	0	0	0	0	109.4
501	E	62.4	Low	57.1	Low	110 Å²	110	107.6 Å²	107.6	51%	0.514	65%	0.645	S	S	.	*			trans	-49.2	130.5	169.8	-73	179.2	-143.9	0	0	109.5	A499 R503 K515	A499-E501 PolarHBondContact O-N 3.42Å; E501-R503 PolarHBondContact O-N 2.51Å; E501-K515 IonicContact OE1-NZ 2.69Å; E501-K515 PolarHBondContact OE1-NZ 3.03Å; E501-K515 VanDerWaalsContact OE2-CD 3.25Å; E501-K515 WeakPolarHBondContact OE2-CD 3.23Å; E501-K515 WeakPolarHBondContact OE2-CE 3.49Å; E501-K515 IonicContact OE2-NZ 2.65Å; E501-K515 PolarHBondContact OE2-NZ 3.41Å
502	P	62.5	Low	58.5	Low	113 Å²	113	105.5 Å²	105.5	73%	0.734	63%	0.629	S	S	*	*			trans	-62.4	118	175.7	26.3	-32.9	0	0	0	108.7	P504	P502-P504 WeakPolarHBondContact O-CD 3.28Å
503	R	70.4	Confident	61	Low	125 Å²	125	103.1 Å²	103.1	47%	0.472	61%	0.609	S	S	.	*			trans	-104	71.1	170.4	-65.1	-170.3	-178.4	-153.6	2.8	109.6	E501 F505 T513 Y514 K515	E501-R503 PolarHBondContact O-N 2.51Å; R503-F505 PolarHBondContact O-N 2.74Å; R503-T513 WeakPolarHBondContact CD-O 3.18Å; R503-T513 PolarHBondContact NH1-O 2.81Å; R503-Y514 CarbonylContact C-O 3.26Å; R503-Y514 VanDerWaalsContact CA-O 3.3Å; R503-Y514 WeakPolarHBondContact CA-O 3.48Å; R503-Y514 WeakPolarHBondContact CB-O 3.17Å; R503-K515 HydrophobicContact CG-CG 4.31Å
504	P	75.1	Confident	63.5	Low	89 Å²	89	100.6 Å²	100.6	58%	0.578	58%	0.58	S	S	*	*			trans	-68.6	-20.2	-171.1	30.5	-37.3	0	0	0	112.6	P502 K506	P502-P504 WeakPolarHBondContact O-CD 3.28Å; P504-K506 PolarHBondContact O-N 2.48Å
505	F	78.9	Confident	64.6	Low	76 Å²	76	99.1 Å²	99.1	33%	0.333	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.6	80.8	-177.1	-54.1	-69.4	0	0	0	110.7	R503 Y514 K515 D516 P517 L520	R503-F505 PolarHBondContact O-N 2.74Å; F505-Y514 PolarHBondContact O-N 2.88Å; F505-K515 VanDerWaalsContact CD2-O 3.27Å; F505-K515 WeakPolarHBondContact CD2-O 3.04Å; F505-K515 WeakPolarHBondContact CE2-O 3.46Å; F505-D516 VanDerWaalsContact CD2-C 3.49Å; F505-P517 HydrophobicContact CD1-CB 4.06Å; F505-P517 HydrophobicContact CE1-CB 3.96Å; F505-P517 HydrophobicContact CE1-CG 4.32Å; F505-P517 HydrophobicContact CE2-CG 4.5Å; F505-P517 HydrophobicContact CG-CB 4.46Å; F505-P517 HydrophobicContact CZ-CB 4.3Å; F505-P517 HydrophobicContact CZ-CG 4.18Å; F505-L520 HydrophobicContact CB-CB 4.14Å; F505-L520 HydrophobicContact CB-CD2 3.85Å
506	K	82.8	Confident	67.3	Low	156 Å²	156	96.7 Å²	96.7	68%	0.678	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	135.9	171	65.3	-179.7	-178.6	175.6	0	111.6	P504 T513	P504-K506 PolarHBondContact O-N 2.48Å; K506-T513 HydrophobicContact CB-CG2 4.1Å
507	C	79.1	Confident	69.5	Low	2 Å²	2	95.8 Å²	95.8	1%	0.014	53%	0.525	C	S	.	.			trans	-71.5	127	172.1	-178.4	0	0	0	0	110.7	V509 E511 K512 Y514 L520	C507-V509 PolarHBondContact O-N 3.31Å; C507-E511 VanDerWaalsContact O-CA 3.26Å; C507-E511 WeakPolarHBondContact O-CA 3.5Å; C507-E511 PolarHBondContact O-N 3.44Å; C507-K512 PolarHBondContact N-O 3.33Å; C507-Y514 HydrophobicContact CB-CE2 4.37Å; C507-L520 HydrophobicContact CB-CD1 3.69Å
508	S	71.8	Confident	71.5	Confident	99 Å²	99	94.3 Å²	94.3	69%	0.692	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.9	-179.9	58.1	0	0	0	0	114.6
509	V	64.9	Low	73.2	Confident	41 Å²	41	86.3 Å²	86.3	25%	0.248	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-31.5	-169.6	166.2	0	0	0	0	113.5	C507 H527 M541	C507-V509 PolarHBondContact O-N 3.31Å; V509-H527 HydrophobicContact CG1-CB 4.41Å; V509-H527 VanDerWaalsContact CG1-CD2 3.43Å; V509-H527 WeakPolarHBondContact CG1-CD2 3.35Å; V509-M541 HydrophobicContact CG1-CB 4.14Å; V509-M541 HydrophobicContact CG1-CG 3.31Å; V509-M541 HydrophobicContact CG2-CG 4.5Å
510	C	73	Confident	75	Confident	42 Å²	42	82.6 Å²	82.6	28%	0.284	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.2	11.1	-179.5	76.3	0	0	0	0	114.6	K512 H523 H527	C510-K512 PolarHBondContact O-N 3.26Å; C510-H523 PolarHBondContact SG-NE2 3.19Å; C510-H527 WeakPolarHBondContact CB-NE2 3.23Å; C510-H527 PolarHBondContact SG-NE2 2.96Å
511	E	73	Confident	76.3	Confident	164 Å²	164	86 Å²	86	77%	0.766	45%	0.446	S	S	*	.			trans	62.9	-2.2	171.1	-54.1	-174.8	144.9	0	0	116.4	C507	C507-E511 VanDerWaalsContact O-CA 3.26Å; C507-E511 WeakPolarHBondContact O-CA 3.5Å; C507-E511 PolarHBondContact O-N 3.44Å
512	K	74.9	Confident	76.9	Confident	124 Å²	124	86.1 Å²	86.1	54%	0.539	45%	0.446	S	S	.	.			trans	-55.3	138.9	171.1	-69.8	-175	179.3	-168.7	0	111.8	C507 C510 Y514	C507-K512 PolarHBondContact N-O 3.33Å; C510-K512 PolarHBondContact O-N 3.26Å; K512-Y514 HydrophobicContact CB-CE2 3.6Å; K512-Y514 WeakPolarHBondContact O-CD2 3.26Å; K512-Y514 WeakPolarHBondContact O-CE2 3.3Å
513	T	80.1	Confident	77.6	Confident	67 Å²	67	81.7 Å²	81.7	41%	0.411	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.7	-176.3	55.1	0	0	0	0	112.7	R503 K506	R503-T513 WeakPolarHBondContact CD-O 3.18Å; R503-T513 PolarHBondContact NH1-O 2.81Å; K506-T513 HydrophobicContact CB-CG2 4.1Å
514	Y	84.8	Confident	77.7	Confident	42 Å²	42	77.5 Å²	77.5	17%	0.165	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.6	-173.4	-66.5	-89.6	0	0	0	111.1	R503 F505 C507 K512 D516 L520 H523	R503-Y514 CarbonylContact C-O 3.26Å; R503-Y514 VanDerWaalsContact CA-O 3.3Å; R503-Y514 WeakPolarHBondContact CA-O 3.48Å; R503-Y514 WeakPolarHBondContact CB-O 3.17Å; F505-Y514 PolarHBondContact O-N 2.88Å; C507-Y514 HydrophobicContact CB-CE2 4.37Å; K512-Y514 HydrophobicContact CB-CE2 3.6Å; K512-Y514 WeakPolarHBondContact O-CD2 3.26Å; K512-Y514 WeakPolarHBondContact O-CE2 3.3Å; Y514-D516 VanDerWaalsContact C-N 3.34Å; Y514-L520 HydrophobicContact CD2-CB 4.24Å; Y514-L520 HydrophobicContact CD2-CD1 3.87Å; Y514-L520 HydrophobicContact CE2-CD1 4.32Å; Y514-L520 HydrophobicContact CG-CB 4.17Å; Y514-H523 HydrophobicContact CE1-CB 3.92Å; Y514-H523 HydrophobicContact CE2-CB 4.25Å; Y514-H523 AromaticContact CE2-CD2 3.3Å; Y514-H523 WeakPolarHBondContact CE2-CD2 3.36Å; Y514-H523 AromaticContact CE2-CG 3.98Å; Y514-H523 AromaticContact CZ-CD2 3.3Å; Y514-H523 AromaticContact CZ-CG 3.53Å; Y514-H523 PolarHBondContact OH-CD2 3.31Å; Y514-H523 PolarHBondContact OH-NE2 2.78Å
515	K	84.4	Confident	77.4	Confident	94 Å²	94	78.1 Å²	78.1	41%	0.409	40%	0.395	S	S	.	.	S	Bend	trans	-65.8	-39.1	174.7	-66.2	-170.7	178.6	-150.1	0	111.2	E501 R503 F505	E501-K515 IonicContact OE1-NZ 2.69Å; E501-K515 PolarHBondContact OE1-NZ 3.03Å; E501-K515 VanDerWaalsContact OE2-CD 3.25Å; E501-K515 WeakPolarHBondContact OE2-CD 3.23Å; E501-K515 WeakPolarHBondContact OE2-CE 3.49Å; E501-K515 IonicContact OE2-NZ 2.65Å; E501-K515 PolarHBondContact OE2-NZ 3.41Å; R503-K515 HydrophobicContact CG-CG 4.31Å; F505-K515 VanDerWaalsContact CD2-O 3.27Å; F505-K515 WeakPolarHBondContact CD2-O 3.04Å; F505-K515 WeakPolarHBondContact CE2-O 3.46Å
516	D	83.1	Confident	76.7	Confident	79 Å²	79	77.3 Å²	77.3	42%	0.422	40%	0.396	S	S	.	.	S	Bend	trans	-127.5	152.6	-168.9	-50.2	-77	0	0	0	112.8	F505 Y514 A518 T519 L520	F505-D516 VanDerWaalsContact CD2-C 3.49Å; Y514-D516 VanDerWaalsContact C-N 3.34Å; D516-A518 PolarHBondContact O-N 2.81Å; D516-T519 PolarHBondContact N-OG1 2.68Å; D516-T519 PolarHBondContact O-N 3.24Å; D516-T519 PolarHBondContact O-OG1 2.88Å; D516-T519 VanDerWaalsContact O-OG1 3.13Å; D516-L520 PolarHBondContact O-N 2.69Å
517	P	80.1	Confident	75.7	Confident	62 Å²	62	71 Å²	71	40%	0.403	37%	0.369	S	S	.	.	H	α-helix	trans	-69.3	-22.5	172.8	30.5	-34.2	0	0	0	111.9	F505 R521	F505-P517 HydrophobicContact CD1-CB 4.06Å; F505-P517 HydrophobicContact CE1-CB 3.96Å; F505-P517 HydrophobicContact CE1-CG 4.32Å; F505-P517 HydrophobicContact CE2-CG 4.5Å; F505-P517 HydrophobicContact CG-CB 4.46Å; F505-P517 HydrophobicContact CZ-CB 4.3Å; F505-P517 HydrophobicContact CZ-CG 4.18Å; P517-R521 WeakPolarHBondContact O-CB 3.44Å; P517-R521 WeakPolarHBondContact O-CD 3.5Å; P517-R521 WeakPolarHBondContact O-CG 3.46Å; P517-R521 PolarHBondContact O-N 3.34Å
518	A	81.6	Confident	74.9	Confident	68 Å²	68	77.9 Å²	77.9	56%	0.562	40%	0.395	S	S	*	.	H	α-helix	trans	-70.9	-45.9	175.4	0	0	0	0	0	111.8	D516 R521 Q522	D516-A518 PolarHBondContact O-N 2.81Å; A518-R521 PolarHBondContact O-N 3.12Å; A518-Q522 PolarHBondContact O-N 3.38Å
519	T	79.8	Confident	74.3	Confident	62 Å²	62	80 Å²	80	38%	0.38	40%	0.397	S	S	.	.	H	α-helix	trans	-70	-34.9	177.1	52.1	0	0	0	0	111.6	D516 H523	D516-T519 PolarHBondContact N-OG1 2.68Å; D516-T519 PolarHBondContact O-N 3.24Å; D516-T519 PolarHBondContact O-OG1 2.88Å; D516-T519 VanDerWaalsContact O-OG1 3.13Å; T519-H523 WeakPolarHBondContact O-CB 3.44Å; T519-H523 PolarHBondContact O-N 3.07Å
520	L	81.6	Confident	74.1	Confident	19 Å²	19	81.9 Å²	81.9	10%	0.099	41%	0.409	C	S	.	.	H	α-helix	trans	-58.7	-53.6	166.9	173.8	59.2	0	0	0	111.7	F505 C507 Y514 D516 Q522 H523 E524	F505-L520 HydrophobicContact CB-CB 4.14Å; F505-L520 HydrophobicContact CB-CD2 3.85Å; C507-L520 HydrophobicContact CB-CD1 3.69Å; Y514-L520 HydrophobicContact CD2-CB 4.24Å; Y514-L520 HydrophobicContact CD2-CD1 3.87Å; Y514-L520 HydrophobicContact CE2-CD1 4.32Å; Y514-L520 HydrophobicContact CG-CB 4.17Å; D516-L520 PolarHBondContact O-N 2.69Å; L520-Q522 VanDerWaalsContact C-N 3.29Å; L520-Q522 PolarHBondContact O-N 3.3Å; L520-H523 CarbonylContact O-C 3.54Å; L520-H523 WeakPolarHBondContact O-CA 3Å; L520-H523 WeakPolarHBondContact O-CB 3.33Å; L520-H523 PolarHBondContact O-N 3.33Å; L520-E524 HydrophobicContact CD1-CG 3.82Å; L520-E524 HydrophobicContact CG-CG 4.26Å; L520-E524 WeakPolarHBondContact O-CG 3.23Å; L520-E524 PolarHBondContact O-N 3.21Å
521	R	77.9	Confident	73.7	Confident	173 Å²	173	85 Å²	85	65%	0.653	42%	0.415	S	S	*	.	H	α-helix	trans	-59.1	-38.8	-179.1	-77.3	168.9	-178.1	-88.3	5.7	112.7	P517 A518 H523 E524 K525	P517-R521 WeakPolarHBondContact O-CB 3.44Å; P517-R521 WeakPolarHBondContact O-CD 3.5Å; P517-R521 WeakPolarHBondContact O-CG 3.46Å; P517-R521 PolarHBondContact O-N 3.34Å; A518-R521 PolarHBondContact O-N 3.12Å; R521-H523 VanDerWaalsContact C-N 3.34Å; R521-E524 PolarHBondContact O-N 2.68Å; R521-K525 WeakPolarHBondContact O-CG 3.31Å; R521-K525 PolarHBondContact O-N 3.43Å; R521-K525 VanDerWaalsContact O-N 3.12Å
522	Q	75.1	Confident	73.7	Confident	111 Å²	111	80.1 Å²	80.1	52%	0.519	40%	0.398	S	S	.	.	H	α-helix	trans	-68.5	-34.6	176	-173	64	9	0	0	111.7	A518 L520 K525	A518-Q522 PolarHBondContact O-N 3.38Å; L520-Q522 VanDerWaalsContact C-N 3.29Å; L520-Q522 PolarHBondContact O-N 3.3Å; Q522-K525 WeakPolarHBondContact O-CB 3.16Å
523	H	77.2	Confident	73.8	Confident	20 Å²	20	76.8 Å²	76.8	9%	0.093	38%	0.383	C	S	.	.	H	α-helix	trans	-68.1	-42	170.4	170.9	40.8	0	0	0	112.8	C510 Y514 T519 L520 R521 K525 T526 H527	C510-H523 PolarHBondContact SG-NE2 3.19Å; Y514-H523 HydrophobicContact CE1-CB 3.92Å; Y514-H523 HydrophobicContact CE2-CB 4.25Å; Y514-H523 AromaticContact CE2-CD2 3.3Å; Y514-H523 WeakPolarHBondContact CE2-CD2 3.36Å; Y514-H523 AromaticContact CE2-CG 3.98Å; Y514-H523 AromaticContact CZ-CD2 3.3Å; Y514-H523 AromaticContact CZ-CG 3.53Å; Y514-H523 PolarHBondContact OH-CD2 3.31Å; Y514-H523 PolarHBondContact OH-NE2 2.78Å; T519-H523 WeakPolarHBondContact O-CB 3.44Å; T519-H523 PolarHBondContact O-N 3.07Å; L520-H523 CarbonylContact O-C 3.54Å; L520-H523 WeakPolarHBondContact O-CA 3Å; L520-H523 WeakPolarHBondContact O-CB 3.33Å; L520-H523 PolarHBondContact O-N 3.33Å; R521-H523 VanDerWaalsContact C-N 3.34Å; H523-K525 PolarHBondContact O-N 3.41Å; H523-T526 PolarHBondContact ND1-OG1 2.84Å; H523-T526 WeakPolarHBondContact O-CA 3.5Å; H523-T526 PolarHBondContact O-N 3.24Å; H523-T526 PolarHBondContact O-OG1 3.22Å; H523-H527 AromaticContact CE1-NE2 3.48Å; H523-H527 PolarHBondContact CE1-NE2 3.39Å; H523-H527 AromaticContact NE2-NE2 3.77Å; H523-H527 PolarHBondContact O-N 2.9Å
524	E	72.7	Confident	73.7	Confident	37 Å²	37	76.2 Å²	76.2	17%	0.173	38%	0.381	C	S	.	.	H	α-helix	trans	-60.9	-34.4	177.3	-69.3	179.6	145.9	0	0	111.4	L520 R521 T526 H527 W528	L520-E524 HydrophobicContact CD1-CG 3.82Å; L520-E524 HydrophobicContact CG-CG 4.26Å; L520-E524 WeakPolarHBondContact O-CG 3.23Å; L520-E524 PolarHBondContact O-N 3.21Å; R521-E524 PolarHBondContact O-N 2.68Å; E524-T526 VanDerWaalsContact C-N 3.28Å; E524-T526 PolarHBondContact O-N 2.87Å; E524-H527 WeakPolarHBondContact O-CB 3.38Å; E524-H527 PolarHBondContact O-N 3.41Å; E524-W528 HydrophobicContact CB-CE3 4.46Å; E524-W528 HydrophobicContact CB-CH2 3.62Å; E524-W528 HydrophobicContact CB-CZ2 4.46Å; E524-W528 HydrophobicContact CB-CZ3 3.63Å; E524-W528 PolarHBondContact O-N 3.22Å
525	K	68.7	Low	73.5	Confident	103 Å²	103	74.3 Å²	74.3	45%	0.448	37%	0.373	S	S	.	.	H	α-helix	trans	-56.9	-36.8	167.3	-66.8	179.3	-159.2	163.6	0	113.1	R521 Q522 H523 H527 W528 L529	R521-K525 WeakPolarHBondContact O-CG 3.31Å; R521-K525 PolarHBondContact O-N 3.43Å; R521-K525 VanDerWaalsContact O-N 3.12Å; Q522-K525 WeakPolarHBondContact O-CB 3.16Å; H523-K525 PolarHBondContact O-N 3.41Å; K525-H527 PolarHBondContact O-N 3.21Å; K525-W528 PolarHBondContact O-N 3.14Å; K525-L529 HydrophobicContact CB-CD1 4.26Å; K525-L529 WeakPolarHBondContact O-CB 3.38Å; K525-L529 VanDerWaalsContact O-CG 3.25Å; K525-L529 WeakPolarHBondContact O-CG 3.4Å; K525-L529 PolarHBondContact O-N 2.71Å
526	T	63.6	Low	73.1	Confident	59 Å²	59	76.8 Å²	76.8	36%	0.362	39%	0.391	S	S	.	.	H	α-helix	trans	-68	-25.3	176.8	80.4	0	0	0	0	112.2	H523 E524 T530	H523-T526 PolarHBondContact ND1-OG1 2.84Å; H523-T526 WeakPolarHBondContact O-CA 3.5Å; H523-T526 PolarHBondContact O-N 3.24Å; H523-T526 PolarHBondContact O-OG1 3.22Å; E524-T526 VanDerWaalsContact C-N 3.28Å; E524-T526 PolarHBondContact O-N 2.87Å; T526-T530 WeakPolarHBondContact O-CB 3.25Å; T526-T530 WeakPolarHBondContact O-CG2 3.42Å; T526-T530 PolarHBondContact O-N 3.18Å; T526-T530 PolarHBondContact O-OG1 3.15Å
527	H	63.3	Low	72.7	Confident	22 Å²	22	77.5 Å²	77.5	10%	0.102	39%	0.394	C	S	.	.	H	α-helix	trans	-66.3	-47.8	168.3	-68	-40.3	0	0	0	112.3	V509 C510 H523 E524 K525 R531 M541	V509-H527 HydrophobicContact CG1-CB 4.41Å; V509-H527 VanDerWaalsContact CG1-CD2 3.43Å; V509-H527 WeakPolarHBondContact CG1-CD2 3.35Å; C510-H527 WeakPolarHBondContact CB-NE2 3.23Å; C510-H527 PolarHBondContact SG-NE2 2.96Å; H523-H527 AromaticContact CE1-NE2 3.48Å; H523-H527 PolarHBondContact CE1-NE2 3.39Å; H523-H527 AromaticContact NE2-NE2 3.77Å; H523-H527 PolarHBondContact O-N 2.9Å; E524-H527 WeakPolarHBondContact O-CB 3.38Å; E524-H527 PolarHBondContact O-N 3.41Å; K525-H527 PolarHBondContact O-N 3.21Å; H527-R531 CarbonylContact O-C 3.46Å; H527-R531 VanDerWaalsContact O-CA 3.28Å; H527-R531 WeakPolarHBondContact O-CA 3.2Å; H527-R531 PolarHBondContact O-N 3.37Å; H527-M541 HydrophobicContact CB-CE 3.84Å; H527-M541 HydrophobicContact CB-CG 4.34Å
528	W	60.4	Low	72.6	Confident	148 Å²	148	76.8 Å²	76.8	56%	0.561	39%	0.39	S	S	*	.	H	α-helix	trans	-69.2	-35	178.6	-60.5	-56.2	0	0	0	113.2	E524 K525 P532 M541	E524-W528 HydrophobicContact CB-CE3 4.46Å; E524-W528 HydrophobicContact CB-CH2 3.62Å; E524-W528 HydrophobicContact CB-CZ2 4.46Å; E524-W528 HydrophobicContact CB-CZ3 3.63Å; E524-W528 PolarHBondContact O-N 3.22Å; K525-W528 PolarHBondContact O-N 3.14Å; W528-P532 WeakPolarHBondContact O-CB 3.38Å; W528-M541 HydrophobicContact CG-CE 4.43Å
529	L	59.3	Low	72.1	Confident	143 Å²	143	75 Å²	75	75%	0.749	38%	0.378	S	S	*	.	H	α-helix	trans	-77.6	-33.6	180	-67.9	167.6	0	0	0	113.7	K525	K525-L529 HydrophobicContact CB-CD1 4.26Å; K525-L529 WeakPolarHBondContact O-CB 3.38Å; K525-L529 VanDerWaalsContact O-CG 3.25Å; K525-L529 WeakPolarHBondContact O-CG 3.4Å; K525-L529 PolarHBondContact O-N 2.71Å
530	T	61.3	Low	71.8	Confident	81 Å²	81	77.9 Å²	77.9	50%	0.497	39%	0.385	S	S	.	.	H	α-helix	trans	-105.5	-23.7	-177.2	69.3	0	0	0	0	114.2	T526	T526-T530 WeakPolarHBondContact O-CB 3.25Å; T526-T530 WeakPolarHBondContact O-CG2 3.42Å; T526-T530 PolarHBondContact O-N 3.18Å; T526-T530 PolarHBondContact O-OG1 3.15Å
531	R	65.8	Low	71.6	Confident	107 Å²	107	77.3 Å²	77.3	40%	0.404	38%	0.382	S	S	.	.			trans	-139.8	56.4	-173.9	-61.7	172.7	74.1	139.4	-1.8	111.7	H527 F533 M541 F542 T543	H527-R531 CarbonylContact O-C 3.46Å; H527-R531 VanDerWaalsContact O-CA 3.28Å; H527-R531 WeakPolarHBondContact O-CA 3.2Å; H527-R531 PolarHBondContact O-N 3.37Å; R531-F533 PolarHBondContact O-N 2.87Å; R531-M541 HydrophobicContact CB-CB 3.7Å; R531-M541 VanDerWaalsContact CZ-O 3.26Å; R531-M541 PolarHBondContact NE-O 3.16Å; R531-M541 PolarHBondContact NH2-O 2.85Å; R531-M541 WeakPolarHBondContact O-CB 3.46Å; R531-M541 WeakPolarHBondContact O-CE 3.4Å; R531-F542 CarbonylContact C-O 3.52Å; R531-F542 VanDerWaalsContact CA-O 3.23Å; R531-F542 WeakPolarHBondContact CA-O 3.31Å; R531-T543 HydrophobicContact CG-CG2 3.96Å
532	P	72.2	Confident	71.7	Confident	62 Å²	62	70.9 Å²	70.9	40%	0.403	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-62.1	-5.2	-166.8	22.4	-33.7	0	0	0	116.9	W528 P534	W528-P532 WeakPolarHBondContact O-CB 3.38Å; P532-P534 WeakPolarHBondContact O-CD 3.4Å
533	F	77.1	Confident	71.8	Confident	53 Å²	53	69.6 Å²	69.6	23%	0.232	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	92.8	-175.6	-54.8	-71.2	0	0	0	112.1	R531 F542 T543 R545 M548	R531-F533 PolarHBondContact O-N 2.87Å; F533-F542 HydrophobicContact CB-CB 4.27Å; F533-F542 PolarHBondContact N-O 3.45Å; F533-F542 PolarHBondContact O-N 3.35Å; F533-T543 WeakPolarHBondContact CE2-O 3.46Å; F533-R545 HydrophobicContact CD1-CB 3.92Å; F533-R545 HydrophobicContact CD1-CG 4.23Å; F533-R545 HydrophobicContact CD2-CB 4.34Å; F533-R545 HydrophobicContact CE1-CB 3.75Å; F533-R545 HydrophobicContact CE1-CG 4.22Å; F533-R545 HydrophobicContact CE2-CB 4.16Å; F533-R545 VanDerWaalsContact CE2-N 3.26Å; F533-R545 HydrophobicContact CG-CB 4.22Å; F533-R545 HydrophobicContact CZ-CB 3.87Å; F533-M548 HydrophobicContact CB-CB 3.9Å; F533-M548 HydrophobicContact CB-CE 4.46Å; F533-M548 HydrophobicContact CB-CG 4.2Å
534	P	77.3	Confident	71.7	Confident	56 Å²	56	74.5 Å²	74.5	36%	0.364	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	149.4	173	24.8	-32.4	0	0	0	112.8	P532 M541 M548	P532-P534 WeakPolarHBondContact O-CD 3.4Å; P534-M541 WeakPolarHBondContact CA-SD 3.39Å; P534-M541 HydrophobicContact CB-SD 3.49Å; P534-M541 WeakPolarHBondContact CB-SD 3.46Å; P534-M541 HydrophobicContact CG-SD 4.11Å; P534-M548 WeakPolarHBondContact O-CG 3.42Å
535	C	81.3	Confident	71.9	Confident	1 Å²	1	80.8 Å²	80.8	1%	0.007	40%	0.404	C	S	.	.			trans	-88.8	115	158.1	177.3	0	0	0	0	110	I537 C538 G539 K540 F542 H551 M552 H555	C535-I537 PolarHBondContact O-N 2.62Å; C535-C538 PolarHBondContact O-N 3.19Å; C535-C538 VanDerWaalsContact SG-SG 3.68Å; C535-G539 WeakPolarHBondContact O-CA 3.15Å; C535-G539 PolarHBondContact O-N 3.07Å; C535-K540 HydrophobicContact CB-CB 4.48Å; C535-K540 WeakPolarHBondContact CB-O 3.23Å; C535-K540 PolarHBondContact N-O 2.93Å; C535-F542 HydrophobicContact CB-CE2 4.22Å; C535-H551 PolarHBondContact SG-NE2 3.33Å; C535-H551 VanDerWaalsContact SG-NE2 3.44Å; C535-M552 HydrophobicContact CB-SD 4.47Å; C535-M552 PolarHBondContact SG-SD 3.16Å; C535-H555 PolarHBondContact SG-NE2 3.37Å
536	N	75.2	Confident	72.3	Confident	147 Å²	147	78.4 Å²	78.4	79%	0.786	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-7	-178.6	-62.5	-8.4	0	0	0	114.5
537	I	74.4	Confident	73.2	Confident	94 Å²	94	76.6 Å²	76.6	48%	0.482	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-30.8	-178.3	-60.2	174.7	0	0	0	112.2	C535 M552 H555	C535-I537 PolarHBondContact O-N 2.62Å; I537-M552 HydrophobicContact CD1-CE 3.56Å; I537-M552 HydrophobicContact CD1-SD 4.37Å; I537-M552 HydrophobicContact CG1-CE 4.05Å; I537-H555 HydrophobicContact CD1-CB 3.61Å; I537-H555 HydrophobicContact CG2-CB 4.36Å
538	C	78.1	Confident	74.3	Confident	46 Å²	46	77.4 Å²	77.4	31%	0.311	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	16.9	-177.7	70.6	0	0	0	0	115.2	C535 K540 H551 H555	C535-C538 PolarHBondContact O-N 3.19Å; C535-C538 VanDerWaalsContact SG-SG 3.68Å; C538-K540 PolarHBondContact O-N 3.27Å; C538-H551 PolarHBondContact SG-NE2 3.41Å; C538-H555 WeakPolarHBondContact CB-CE1 3.14Å; C538-H555 WeakPolarHBondContact CB-NE2 3.49Å; C538-H555 PolarHBondContact SG-CE1 3.09Å; C538-H555 PolarHBondContact SG-NE2 3.39Å
539	G	71.9	Confident	75.3	Confident	30 Å²	30	73.6 Å²	73.6	31%	0.309	40%	0.395	S	S	.	.			trans	70.6	-14.6	174.8	0	0	0	0	0	116	C535 M541	C535-G539 WeakPolarHBondContact O-CA 3.15Å; C535-G539 PolarHBondContact O-N 3.07Å; G539-M541 PolarHBondContact O-N 2.7Å
540	K	73.8	Confident	76.3	Confident	124 Å²	124	71.8 Å²	71.8	54%	0.539	38%	0.378	S	S	.	.			trans	-58.6	119.4	-175.8	-68.2	-177.4	-177.1	-177.1	0	111.3	C535 C538 F542	C535-K540 HydrophobicContact CB-CB 4.48Å; C535-K540 WeakPolarHBondContact CB-O 3.23Å; C535-K540 PolarHBondContact N-O 2.93Å; C538-K540 PolarHBondContact O-N 3.27Å; K540-F542 HydrophobicContact CB-CE2 3.86Å; K540-F542 HydrophobicContact CB-CZ 4.23Å; K540-F542 VanDerWaalsContact O-CD2 3.23Å; K540-F542 WeakPolarHBondContact O-CD2 3.49Å; K540-F542 WeakPolarHBondContact O-CE2 3.42Å
541	M	78.1	Confident	77.4	Confident	7 Å²	7	69.4 Å²	69.4	3%	0.034	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	146.4	177	-71.6	-69.9	-102.6	0	0	112.1	V509 H527 W528 R531 P534 G539	V509-M541 HydrophobicContact CG1-CB 4.14Å; V509-M541 HydrophobicContact CG1-CG 3.31Å; V509-M541 HydrophobicContact CG2-CG 4.5Å; H527-M541 HydrophobicContact CB-CE 3.84Å; H527-M541 HydrophobicContact CB-CG 4.34Å; W528-M541 HydrophobicContact CG-CE 4.43Å; R531-M541 HydrophobicContact CB-CB 3.7Å; R531-M541 VanDerWaalsContact CZ-O 3.26Å; R531-M541 PolarHBondContact NE-O 3.16Å; R531-M541 PolarHBondContact NH2-O 2.85Å; R531-M541 WeakPolarHBondContact O-CB 3.46Å; R531-M541 WeakPolarHBondContact O-CE 3.4Å; P534-M541 WeakPolarHBondContact CA-SD 3.39Å; P534-M541 HydrophobicContact CB-SD 3.49Å; P534-M541 WeakPolarHBondContact CB-SD 3.46Å; P534-M541 HydrophobicContact CG-SD 4.11Å; G539-M541 PolarHBondContact O-N 2.7Å
542	F	78.9	Confident	78.1	Confident	38 Å²	38	66.5 Å²	66.5	17%	0.167	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.1	-178.3	-67.4	-92.4	0	0	0	112.1	R531 F533 C535 K540 T547 M548 H551	R531-F542 CarbonylContact C-O 3.52Å; R531-F542 VanDerWaalsContact CA-O 3.23Å; R531-F542 WeakPolarHBondContact CA-O 3.31Å; F533-F542 HydrophobicContact CB-CB 4.27Å; F533-F542 PolarHBondContact N-O 3.45Å; F533-F542 PolarHBondContact O-N 3.35Å; C535-F542 HydrophobicContact CB-CE2 4.22Å; K540-F542 HydrophobicContact CB-CE2 3.86Å; K540-F542 HydrophobicContact CB-CZ 4.23Å; K540-F542 VanDerWaalsContact O-CD2 3.23Å; K540-F542 WeakPolarHBondContact O-CD2 3.49Å; K540-F542 WeakPolarHBondContact O-CE2 3.42Å; F542-T547 WeakPolarHBondContact CD1-OG1 3.48Å; F542-M548 HydrophobicContact CB-CB 3.96Å; F542-M548 HydrophobicContact CD2-CB 3.84Å; F542-M548 HydrophobicContact CD2-CG 4.06Å; F542-M548 HydrophobicContact CG-CB 3.96Å; F542-H551 HydrophobicContact CE1-CB 4.06Å; F542-H551 HydrophobicContact CE2-CB 4.2Å; F542-H551 AromaticContact CE2-CD2 3.3Å; F542-H551 WeakPolarHBondContact CE2-CD2 3.4Å; F542-H551 AromaticContact CE2-CG 3.95Å; F542-H551 HydrophobicContact CZ-CB 3.63Å; F542-H551 AromaticContact CZ-CD2 3.26Å; F542-H551 WeakPolarHBondContact CZ-CD2 3.18Å; F542-H551 AromaticContact CZ-CG 3.47Å; F542-H551 VanDerWaalsContact CZ-CG 3.47Å
543	T	76.7	Confident	78.6	Confident	84 Å²	84	67.8 Å²	67.8	52%	0.515	35%	0.35	S	S	.	.	S	Bend	trans	-66.1	-35.6	176.3	51.3	0	0	0	0	112.7	R531 F533	R531-T543 HydrophobicContact CG-CG2 3.96Å; F533-T543 WeakPolarHBondContact CE2-O 3.46Å
544	Q	76.8	Confident	78.7	Confident	123 Å²	123	68.7 Å²	68.7	58%	0.575	36%	0.363	S	S	*	.	S	Bend	trans	-129.6	135.9	-172.1	-66.8	172.5	-9.5	0	0	112.1	G546 T547 M548	Q544-G546 VanDerWaalsContact C-N 3.32Å; Q544-G546 PolarHBondContact O-N 3.1Å; Q544-T547 HydrophobicContact CB-CG2 4.01Å; Q544-T547 PolarHBondContact O-N 3.25Å; Q544-T547 PolarHBondContact O-OG1 2.9Å; Q544-M548 PolarHBondContact O-N 3.24Å
545	R	74.9	Confident	78.8	Confident	168 Å²	168	70 Å²	70	63%	0.634	36%	0.364	S	S	*	.	H	α-helix	trans	-52.6	-46.9	-179.8	-171.8	-177.5	-73.3	-170.7	-2	112.2	F533 T547 M548 T549	F533-R545 HydrophobicContact CD1-CB 3.92Å; F533-R545 HydrophobicContact CD1-CG 4.23Å; F533-R545 HydrophobicContact CD2-CB 4.34Å; F533-R545 HydrophobicContact CE1-CB 3.75Å; F533-R545 HydrophobicContact CE1-CG 4.22Å; F533-R545 HydrophobicContact CE2-CB 4.16Å; F533-R545 VanDerWaalsContact CE2-N 3.26Å; F533-R545 HydrophobicContact CG-CB 4.22Å; F533-R545 HydrophobicContact CZ-CB 3.87Å; R545-T547 VanDerWaalsContact C-N 3.25Å; R545-T547 PolarHBondContact O-N 2.94Å; R545-M548 HydrophobicContact CG-CE 4.47Å; R545-M548 WeakPolarHBondContact O-CB 3.47Å; R545-M548 PolarHBondContact O-N 2.97Å; R545-M548 VanDerWaalsContact O-N 3.1Å; R545-T549 PolarHBondContact O-N 2.89Å; R545-T549 PolarHBondContact O-OG1 2.92Å
546	G	78.8	Confident	78.6	Confident	53 Å²	53	75.2 Å²	75.2	55%	0.546	39%	0.391	S	S	.	.	H	α-helix	trans	-59.1	-32.6	178.3	0	0	0	0	0	114	Q544 R550	Q544-G546 VanDerWaalsContact C-N 3.32Å; Q544-G546 PolarHBondContact O-N 3.1Å; G546-R550 WeakPolarHBondContact O-CB 3.48Å; G546-R550 PolarHBondContact O-N 3.47Å
547	T	81.8	Confident	78.7	Confident	22 Å²	22	70.7 Å²	70.7	14%	0.135	38%	0.379	C	S	.	.	H	α-helix	trans	-73.7	-35.7	176.1	68.9	0	0	0	0	112.4	F542 Q544 R545 H551	F542-T547 WeakPolarHBondContact CD1-OG1 3.48Å; Q544-T547 HydrophobicContact CB-CG2 4.01Å; Q544-T547 PolarHBondContact O-N 3.25Å; Q544-T547 PolarHBondContact O-OG1 2.9Å; R545-T547 VanDerWaalsContact C-N 3.25Å; R545-T547 PolarHBondContact O-N 2.94Å; T547-H551 WeakPolarHBondContact O-CB 3.39Å; T547-H551 PolarHBondContact O-N 3.47Å
548	M	86.3	Confident	78.9	Confident	39 Å²	39	70.8 Å²	70.8	19%	0.192	38%	0.38	C	S	.	.	H	α-helix	trans	-65.7	-50	171.7	-179.7	-82.4	-72.7	0	0	111.1	F533 P534 F542 Q544 R545 R550 H551 M552	F533-M548 HydrophobicContact CB-CB 3.9Å; F533-M548 HydrophobicContact CB-CE 4.46Å; F533-M548 HydrophobicContact CB-CG 4.2Å; P534-M548 WeakPolarHBondContact O-CG 3.42Å; F542-M548 HydrophobicContact CB-CB 3.96Å; F542-M548 HydrophobicContact CD2-CB 3.84Å; F542-M548 HydrophobicContact CD2-CG 4.06Å; F542-M548 HydrophobicContact CG-CB 3.96Å; Q544-M548 PolarHBondContact O-N 3.24Å; R545-M548 HydrophobicContact CG-CE 4.47Å; R545-M548 WeakPolarHBondContact O-CB 3.47Å; R545-M548 PolarHBondContact O-N 2.97Å; R545-M548 VanDerWaalsContact O-N 3.1Å; M548-R550 VanDerWaalsContact C-N 3.29Å; M548-R550 PolarHBondContact O-N 2.91Å; M548-H551 CarbonylContact O-C 3.55Å; M548-H551 WeakPolarHBondContact O-CA 3.36Å; M548-H551 WeakPolarHBondContact O-CB 3.37Å; M548-H551 PolarHBondContact O-N 3.17Å; M548-M552 PolarHBondContact O-N 3.49Å; M548-M552 HydrophobicContact SD-CG 3.73Å
549	T	80.6	Confident	79.1	Confident	67 Å²	67	73.7 Å²	73.7	41%	0.411	39%	0.387	S	S	.	.	H	α-helix	trans	-59.2	-40.3	176.9	-52.8	0	0	0	0	111.8	R545 H551 M552 R553	R545-T549 PolarHBondContact O-N 2.89Å; R545-T549 PolarHBondContact O-OG1 2.92Å; T549-H551 VanDerWaalsContact C-N 3.29Å; T549-H551 PolarHBondContact O-N 2.9Å; T549-M552 PolarHBondContact O-N 3.22Å; T549-R553 PolarHBondContact O-N 3.05Å
550	R	81.1	Confident	79.5	Confident	105 Å²	105	75.3 Å²	75.3	40%	0.396	39%	0.392	S	S	.	.	H	α-helix	trans	-65.3	-29.4	173.9	-176.8	175.2	66.8	-169.4	0.1	112.9	G546 M548	G546-R550 WeakPolarHBondContact O-CB 3.48Å; G546-R550 PolarHBondContact O-N 3.47Å; M548-R550 VanDerWaalsContact C-N 3.29Å; M548-R550 PolarHBondContact O-N 2.91Å
551	H	84.1	Confident	80.1	Confident	32 Å²	32	72.1 Å²	72.1	15%	0.148	38%	0.378	C	S	.	.	H	α-helix	trans	-78	-37	172.7	167.3	50.7	0	0	0	112.5	C535 C538 F542 T547 M548 T549 R553 S554 H555	C535-H551 PolarHBondContact SG-NE2 3.33Å; C535-H551 VanDerWaalsContact SG-NE2 3.44Å; C538-H551 PolarHBondContact SG-NE2 3.41Å; F542-H551 HydrophobicContact CE1-CB 4.06Å; F542-H551 HydrophobicContact CE2-CB 4.2Å; F542-H551 AromaticContact CE2-CD2 3.3Å; F542-H551 WeakPolarHBondContact CE2-CD2 3.4Å; F542-H551 AromaticContact CE2-CG 3.95Å; F542-H551 HydrophobicContact CZ-CB 3.63Å; F542-H551 AromaticContact CZ-CD2 3.26Å; F542-H551 WeakPolarHBondContact CZ-CD2 3.18Å; F542-H551 AromaticContact CZ-CG 3.47Å; F542-H551 VanDerWaalsContact CZ-CG 3.47Å; T547-H551 WeakPolarHBondContact O-CB 3.39Å; T547-H551 PolarHBondContact O-N 3.47Å; M548-H551 CarbonylContact O-C 3.55Å; M548-H551 WeakPolarHBondContact O-CA 3.36Å; M548-H551 WeakPolarHBondContact O-CB 3.37Å; M548-H551 PolarHBondContact O-N 3.17Å; T549-H551 VanDerWaalsContact C-N 3.29Å; T549-H551 PolarHBondContact O-N 2.9Å; H551-R553 PolarHBondContact O-N 2.81Å; H551-R553 VanDerWaalsContact O-N 3.13Å; H551-S554 PolarHBondContact ND1-OG 3.34Å; H551-S554 PolarHBondContact O-N 3.23Å; H551-S554 PolarHBondContact O-OG 3Å; H551-H555 AromaticContact CD2-NE2 3.62Å; H551-H555 AromaticContact CE1-CD2 3.77Å; H551-H555 AromaticContact CE1-NE2 2.88Å; H551-H555 PolarHBondContact CE1-NE2 3.48Å; H551-H555 AromaticContact NE2-CD2 3.79Å; H551-H555 AromaticContact NE2-NE2 2.51Å; H551-H555 PolarHBondContact NE2-NE2 3.26Å
552	M	80.5	Confident	80.6	Confident	45 Å²	45	73 Å²	73	22%	0.222	39%	0.387	C	S	.	.	H	α-helix	trans	-56	-32.4	174.3	-69.5	-62.1	-66.9	0	0	112.2	C535 I537 M548 T549 S554 H555 L556	C535-M552 HydrophobicContact CB-SD 4.47Å; C535-M552 PolarHBondContact SG-SD 3.16Å; I537-M552 HydrophobicContact CD1-CE 3.56Å; I537-M552 HydrophobicContact CD1-SD 4.37Å; I537-M552 HydrophobicContact CG1-CE 4.05Å; M548-M552 PolarHBondContact O-N 3.49Å; M548-M552 HydrophobicContact SD-CG 3.73Å; T549-M552 PolarHBondContact O-N 3.22Å; M552-S554 PolarHBondContact O-N 2.83Å; M552-H555 PolarHBondContact O-N 3.39Å; M552-H555 VanDerWaalsContact O-N 3.09Å; M552-L556 PolarHBondContact O-N 3.2Å; M552-L556 VanDerWaalsContact O-N 3.11Å
553	R	82.8	Confident	81.2	Confident	90 Å²	90	71.2 Å²	71.2	34%	0.34	38%	0.379	S	S	.	.	H	α-helix	trans	-57.5	-29	171.7	-63.5	179.6	-173.9	175.3	-0.2	114	T549 H551 G557 L558	T549-R553 PolarHBondContact O-N 3.05Å; H551-R553 PolarHBondContact O-N 2.81Å; H551-R553 VanDerWaalsContact O-N 3.13Å; R553-G557 CarbonylContact O-C 3.01Å; R553-G557 PolarHBondContact O-N 3.23Å; R553-G557 VanDerWaalsContact O-N 3.16Å; R553-L558 HydrophobicContact CB-CB 4.19Å; R553-L558 HydrophobicContact CG-CB 4.33Å; R553-L558 PolarHBondContact O-N 3.28Å
554	S	80.1	Confident	81.7	Confident	72 Å²	72	74.6 Å²	74.6	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-75.6	-28.1	176	65.9	0	0	0	0	113.2	H551 M552	H551-S554 PolarHBondContact ND1-OG 3.34Å; H551-S554 PolarHBondContact O-N 3.23Å; H551-S554 PolarHBondContact O-OG 3Å; M552-S554 PolarHBondContact O-N 2.83Å
555	H	77.9	Confident	82.2	Confident	84 Å²	84	74.7 Å²	74.7	39%	0.389	39%	0.394	S	S	.	.	H	α-helix	trans	-75.6	-37.3	173	-69.5	-63.2	0	0	0	112.1	C535 I537 C538 H551 M552 G557	C535-H555 PolarHBondContact SG-NE2 3.37Å; I537-H555 HydrophobicContact CD1-CB 3.61Å; I537-H555 HydrophobicContact CG2-CB 4.36Å; C538-H555 WeakPolarHBondContact CB-CE1 3.14Å; C538-H555 WeakPolarHBondContact CB-NE2 3.49Å; C538-H555 PolarHBondContact SG-CE1 3.09Å; C538-H555 PolarHBondContact SG-NE2 3.39Å; H551-H555 AromaticContact CD2-NE2 3.62Å; H551-H555 AromaticContact CE1-CD2 3.77Å; H551-H555 AromaticContact CE1-NE2 2.88Å; H551-H555 PolarHBondContact CE1-NE2 3.48Å; H551-H555 AromaticContact NE2-CD2 3.79Å; H551-H555 AromaticContact NE2-NE2 2.51Å; H551-H555 PolarHBondContact NE2-NE2 3.26Å; M552-H555 PolarHBondContact O-N 3.39Å; M552-H555 VanDerWaalsContact O-N 3.09Å; H555-G557 VanDerWaalsContact C-N 3.28Å; H555-G557 PolarHBondContact O-N 3.46Å
556	L	77.7	Confident	82.9	Confident	110 Å²	110	69.1 Å²	69.1	58%	0.576	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	1.5	178.7	-60.2	174.1	0	0	0	113.6	M552 L558	M552-L556 PolarHBondContact O-N 3.2Å; M552-L556 VanDerWaalsContact O-N 3.11Å; L556-L558 HydrophobicContact CB-CD1 3.86Å; L556-L558 HydrophobicContact CB-CG 3.74Å; L556-L558 HydrophobicContact CD1-CD1 3.86Å; L556-L558 PolarHBondContact O-N 3.02Å
557	G	78	Confident	83.2	Confident	52 Å²	52	69.1 Å²	69.1	54%	0.536	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	6	-175.1	0	0	0	0	0	115.4	R553 H555 K559	R553-G557 CarbonylContact O-C 3.01Å; R553-G557 PolarHBondContact O-N 3.23Å; R553-G557 VanDerWaalsContact O-N 3.16Å; H555-G557 VanDerWaalsContact C-N 3.28Å; H555-G557 PolarHBondContact O-N 3.46Å; G557-K559 PolarHBondContact O-N 2.85Å
558	L	77.2	Confident	83.5	Confident	95 Å²	95	73.3 Å²	73.3	50%	0.497	40%	0.4	S	S	.	.			trans	-68.3	105.7	-169.5	-68.6	175.9	0	0	0	112	R553 L556 P560	R553-L558 HydrophobicContact CB-CB 4.19Å; R553-L558 HydrophobicContact CG-CB 4.33Å; R553-L558 PolarHBondContact O-N 3.28Å; L556-L558 HydrophobicContact CB-CD1 3.86Å; L556-L558 HydrophobicContact CB-CG 3.74Å; L556-L558 HydrophobicContact CD1-CD1 3.86Å; L556-L558 PolarHBondContact O-N 3.02Å; L558-P560 VanDerWaalsContact C-CD 3.49Å; L558-P560 WeakPolarHBondContact O-CD 3.43Å
559	K	84.1	Confident	83.5	Confident	107 Å²	107	77.6 Å²	77.6	47%	0.465	41%	0.414	S	S	.	.			trans	-111.3	78.8	175.7	-70.3	165	155.5	-141.7	0	109.6	G557 F561 R569 F570 T571	G557-K559 PolarHBondContact O-N 2.85Å; K559-F561 PolarHBondContact O-N 3.21Å; K559-R569 HydrophobicContact CB-CB 3.57Å; K559-R569 HydrophobicContact CD-CB 4.13Å; K559-R569 VanDerWaalsContact CD-O 3.24Å; K559-R569 WeakPolarHBondContact CD-O 3.43Å; K559-R569 WeakPolarHBondContact CE-O 3.26Å; K559-R569 HydrophobicContact CG-CB 4.43Å; K559-R569 PolarHBondContact NZ-O 3.27Å; K559-R569 PolarHBondContact O-NE 2.72Å; K559-R569 PolarHBondContact O-NH2 2.76Å; K559-F570 CarbonylContact C-O 3.4Å; K559-F570 VanDerWaalsContact CA-O 3.28Å; K559-F570 WeakPolarHBondContact CA-O 3.23Å; K559-T571 HydrophobicContact CG-CG2 3.79Å
560	P	80	Confident	83.7	Confident	64 Å²	64	76.4 Å²	76.4	42%	0.416	40%	0.403	S	S	.	.			trans	-66.5	-38	-172.3	24.5	-33	0	0	0	112.4	L558 R569	L558-P560 VanDerWaalsContact C-CD 3.49Å; L558-P560 WeakPolarHBondContact O-CD 3.43Å; P560-R569 PolarHBondContact O-NH2 2.92Å
561	F	86	Confident	83.8	Confident	57 Å²	57	73.5 Å²	73.5	25%	0.25	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.1	179.7	-49.9	-78.8	0	0	0	110.3	K559 R569 F570 Q573 L576	K559-F561 PolarHBondContact O-N 3.21Å; F561-R569 CarbonylContact O-C 3.54Å; F561-R569 VanDerWaalsContact O-CA 3.28Å; F561-R569 WeakPolarHBondContact O-CA 3.34Å; F561-F570 HydrophobicContact CB-CB 4.46Å; F561-F570 PolarHBondContact N-O 2.98Å; F561-F570 PolarHBondContact O-N 2.97Å; F561-Q573 HydrophobicContact CD1-CB 3.95Å; F561-Q573 HydrophobicContact CD1-CG 4.21Å; F561-Q573 HydrophobicContact CE1-CB 3.65Å; F561-Q573 HydrophobicContact CE1-CG 4.08Å; F561-Q573 HydrophobicContact CE2-CB 4.33Å; F561-Q573 VanDerWaalsContact CE2-N 3.32Å; F561-Q573 HydrophobicContact CG-CB 4.41Å; F561-Q573 HydrophobicContact CZ-CB 3.86Å; F561-L576 HydrophobicContact CB-CB 4.35Å; F561-L576 HydrophobicContact CB-CD2 4.09Å
562	A	87.8	Confident	83.8	Confident	25 Å²	25	76 Å²	76	21%	0.207	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	154	173.3	0	0	0	0	0	110.1	M568 R569 L576	A562-M568 CarbonylContact C-O 3.57Å; A562-M568 WeakPolarHBondContact CA-O 3.16Å; A562-R569 HydrophobicContact CB-CG 4.11Å; A562-L576 WeakPolarHBondContact O-CD1 3.24Å; A562-L576 WeakPolarHBondContact O-CD2 3.43Å
563	C	91.6	Very high	84.1	Confident	1 Å²	1	80 Å²	80	1%	0.007	42%	0.423	C	S	.	.			trans	-93.2	124.5	165.9	174.6	0	0	0	0	108.9	E565 G567 M568 F570 L576 M580 H583	C563-E565 VanDerWaalsContact C-N 3.31Å; C563-E565 PolarHBondContact O-N 2.85Å; C563-G567 WeakPolarHBondContact O-CA 3.38Å; C563-G567 PolarHBondContact O-N 3.35Å; C563-M568 PolarHBondContact N-O 3.18Å; C563-F570 HydrophobicContact CB-CE2 4.32Å; C563-L576 HydrophobicContact CB-CD1 3.6Å; C563-M580 HydrophobicContact CB-SD 4.26Å; C563-M580 PolarHBondContact SG-SD 3.28Å; C563-H583 PolarHBondContact SG-NE2 3.04Å
564	D	88.1	Confident	84.2	Confident	155 Å²	155	81.1 Å²	81.1	83%	0.829	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-24.4	-175.4	-52.2	-58.7	0	0	0	112.6
565	E	86.5	Confident	84.6	Confident	125 Å²	125	81.9 Å²	81.9	58%	0.584	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-27.8	178.6	-65.2	-173.9	-108.4	0	0	114.1	C563 M580 H583	C563-E565 VanDerWaalsContact C-N 3.31Å; C563-E565 PolarHBondContact O-N 2.85Å; E565-M580 HydrophobicContact CG-CE 4.23Å; E565-M580 WeakPolarHBondContact OE1-CE 3.4Å; E565-H583 VanDerWaalsContact OE1-CB 3.27Å; E565-H583 WeakPolarHBondContact OE1-CB 3.31Å; E565-H583 IonicContact OE1-CD2 2.68Å; E565-H583 IonicContact OE1-CG 3.34Å; E565-H583 WeakPolarHBondContact OE2-CB 3.37Å; E565-H583 IonicContact OE2-CG 3.94Å
566	C	89.1	Confident	85.2	Confident	52 Å²	52	79.2 Å²	79.2	35%	0.351	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.9	0.6	-173.7	73.9	0	0	0	0	115.4	M568 H579 H583	C566-M568 PolarHBondContact O-N 2.88Å; C566-M568 VanDerWaalsContact O-N 3.12Å; C566-H579 PolarHBondContact SG-NE2 3.35Å; C566-H583 WeakPolarHBondContact CB-CE1 3.43Å; C566-H583 WeakPolarHBondContact CB-NE2 3.35Å; C566-H583 PolarHBondContact SG-NE2 3.09Å
567	G	85.8	Confident	85.7	Confident	52 Å²	52	77.7 Å²	77.7	54%	0.536	40%	0.404	S	S	.	.			trans	69.7	-2	-178.2	0	0	0	0	0	115.8	C563 R569	C563-G567 WeakPolarHBondContact O-CA 3.38Å; C563-G567 PolarHBondContact O-N 3.35Å; G567-R569 WeakPolarHBondContact O-CG 3.35Å; G567-R569 PolarHBondContact O-N 2.89Å
568	M	87.6	Confident	86.1	Confident	111 Å²	111	76.4 Å²	76.4	55%	0.547	38%	0.384	S	S	.	.			trans	-62.4	133.3	-179.3	-76.9	-160	179	0	0	111.6	A562 C563 C566 F570	A562-M568 CarbonylContact C-O 3.57Å; A562-M568 WeakPolarHBondContact CA-O 3.16Å; C563-M568 PolarHBondContact N-O 3.18Å; C566-M568 PolarHBondContact O-N 2.88Å; C566-M568 VanDerWaalsContact O-N 3.12Å; M568-F570 HydrophobicContact CB-CE2 3.82Å; M568-F570 HydrophobicContact CB-CZ 3.88Å; M568-F570 WeakPolarHBondContact O-CE2 3.47Å
569	R	86.8	Confident	86.7	Confident	129 Å²	129	73.2 Å²	73.2	49%	0.487	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	137	-176.4	-51.6	-167.9	70.7	113.8	5.7	113.4	K559 P560 F561 A562 G567	K559-R569 HydrophobicContact CB-CB 3.57Å; K559-R569 HydrophobicContact CD-CB 4.13Å; K559-R569 VanDerWaalsContact CD-O 3.24Å; K559-R569 WeakPolarHBondContact CD-O 3.43Å; K559-R569 WeakPolarHBondContact CE-O 3.26Å; K559-R569 HydrophobicContact CG-CB 4.43Å; K559-R569 PolarHBondContact NZ-O 3.27Å; K559-R569 PolarHBondContact O-NE 2.72Å; K559-R569 PolarHBondContact O-NH2 2.76Å; P560-R569 PolarHBondContact O-NH2 2.92Å; F561-R569 CarbonylContact O-C 3.54Å; F561-R569 VanDerWaalsContact O-CA 3.28Å; F561-R569 WeakPolarHBondContact O-CA 3.34Å; A562-R569 HydrophobicContact CB-CG 4.11Å; G567-R569 WeakPolarHBondContact O-CG 3.35Å; G567-R569 PolarHBondContact O-N 2.89Å
570	F	85.6	Confident	86.9	Confident	41 Å²	41	70.7 Å²	70.7	18%	0.18	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150.8	-172.8	-57.9	-84	0	0	0	112.3	K559 F561 C563 M568 R575 L576 H579	K559-F570 CarbonylContact C-O 3.4Å; K559-F570 VanDerWaalsContact CA-O 3.28Å; K559-F570 WeakPolarHBondContact CA-O 3.23Å; F561-F570 HydrophobicContact CB-CB 4.46Å; F561-F570 PolarHBondContact N-O 2.98Å; F561-F570 PolarHBondContact O-N 2.97Å; C563-F570 HydrophobicContact CB-CE2 4.32Å; M568-F570 HydrophobicContact CB-CE2 3.82Å; M568-F570 HydrophobicContact CB-CZ 3.88Å; M568-F570 WeakPolarHBondContact O-CE2 3.47Å; F570-R575 HydrophobicContact CB-CB 4.19Å; F570-R575 HydrophobicContact CD1-CB 3.97Å; F570-R575 HydrophobicContact CG-CB 4.32Å; F570-L576 HydrophobicContact CD2-CB 4.04Å; F570-L576 HydrophobicContact CD2-CD1 4.04Å; F570-L576 HydrophobicContact CE2-CD1 4.12Å; F570-L576 HydrophobicContact CG-CB 4.48Å; F570-H579 HydrophobicContact CE1-CB 4.13Å; F570-H579 HydrophobicContact CE2-CB 4.05Å; F570-H579 AromaticContact CE2-CD2 3.63Å; F570-H579 AromaticContact CE2-CG 3.82Å; F570-H579 HydrophobicContact CZ-CB 3.6Å; F570-H579 AromaticContact CZ-CD2 3.61Å; F570-H579 AromaticContact CZ-CG 3.35Å; F570-H579 AromaticContact CZ-ND1 3.72Å
571	T	83.4	Confident	87.3	Confident	44 Å²	44	70.8 Å²	70.8	27%	0.27	35%	0.349	S	S	.	.	S	Bend	trans	-84.4	-9.8	179.3	56.3	0	0	0	0	113.8	K559	K559-T571 HydrophobicContact CG-CG2 3.79Å
572	R	83.6	Confident	87.3	Confident	86 Å²	86	72.5 Å²	72.5	33%	0.325	36%	0.364	S	S	.	.	S	Bend	trans	-145.7	139.3	-174.7	-51.5	-176.3	-172.3	-178.2	-2.5	110.8	Y574 R575 L576	R572-Y574 HydrophobicContact CB-CD1 4.05Å; R572-Y574 HydrophobicContact CB-CE1 3.97Å; R572-Y574 HydrophobicContact CG-CE1 4.3Å; R572-Y574 PolarHBondContact NH1-OH 2.8Å; R572-Y574 PolarHBondContact O-N 3.18Å; R572-R575 HydrophobicContact CB-CG 4.29Å; R572-R575 WeakPolarHBondContact O-CB 3.49Å; R572-R575 PolarHBondContact O-N 2.83Å; R572-R575 VanDerWaalsContact O-N 3.1Å; R572-L576 PolarHBondContact O-N 3.4Å
573	Q	85.6	Confident	87.3	Confident	128 Å²	128	75.1 Å²	75.1	60%	0.598	37%	0.372	S	S	*	.	H	α-helix	trans	-60	-42.2	-179.1	-167.5	175.4	-2.9	0	0	113.1	F561 R575 L576 T577	F561-Q573 HydrophobicContact CD1-CB 3.95Å; F561-Q573 HydrophobicContact CD1-CG 4.21Å; F561-Q573 HydrophobicContact CE1-CB 3.65Å; F561-Q573 HydrophobicContact CE1-CG 4.08Å; F561-Q573 HydrophobicContact CE2-CB 4.33Å; F561-Q573 VanDerWaalsContact CE2-N 3.32Å; F561-Q573 HydrophobicContact CG-CB 4.41Å; F561-Q573 HydrophobicContact CZ-CB 3.86Å; Q573-R575 PolarHBondContact O-N 3.03Å; Q573-L576 WeakPolarHBondContact O-CA 3.47Å; Q573-L576 WeakPolarHBondContact O-CB 3.42Å; Q573-L576 PolarHBondContact O-N 3.3Å; Q573-T577 PolarHBondContact O-N 2.87Å
574	Y	86	Confident	86.9	Confident	113 Å²	113	78.2 Å²	78.2	44%	0.443	39%	0.394	S	S	.	.	H	α-helix	trans	-64.6	-23.2	178.1	82	-101.7	0	0	0	113.5	R572 T577 E578	R572-Y574 HydrophobicContact CB-CD1 4.05Å; R572-Y574 HydrophobicContact CB-CE1 3.97Å; R572-Y574 HydrophobicContact CG-CE1 4.3Å; R572-Y574 PolarHBondContact NH1-OH 2.8Å; R572-Y574 PolarHBondContact O-N 3.18Å; Y574-T577 WeakPolarHBondContact CA-OG1 3.24Å; Y574-T577 PolarHBondContact O-OG1 3.06Å; Y574-E578 WeakPolarHBondContact O-CB 3.49Å; Y574-E578 PolarHBondContact O-N 3.39Å
575	R	88.4	Confident	86.8	Confident	89 Å²	89	73 Å²	73	34%	0.336	38%	0.376	S	S	.	.	H	α-helix	trans	-75.3	-30.3	173.3	-72.8	-60.8	-151.3	-178.1	9	111.5	F570 R572 Q573 E578 H579 R602	F570-R575 HydrophobicContact CB-CB 4.19Å; F570-R575 HydrophobicContact CD1-CB 3.97Å; F570-R575 HydrophobicContact CG-CB 4.32Å; R572-R575 HydrophobicContact CB-CG 4.29Å; R572-R575 WeakPolarHBondContact O-CB 3.49Å; R572-R575 PolarHBondContact O-N 2.83Å; R572-R575 VanDerWaalsContact O-N 3.1Å; Q573-R575 PolarHBondContact O-N 3.03Å; R575-E578 WeakPolarHBondContact CD-OE2 3.46Å; R575-E578 IonicContact CZ-OE2 2.9Å; R575-E578 IonicContact NE-OE2 2.61Å; R575-E578 IonicContact NH1-OE1 2.62Å; R575-E578 PolarHBondContact NH1-OE1 3.33Å; R575-E578 IonicContact NH1-OE2 2.68Å; R575-E578 PolarHBondContact NH1-OE2 3.14Å; R575-H579 VanDerWaalsContact O-CB 3.26Å; R575-H579 WeakPolarHBondContact O-CB 3.33Å; R575-H579 PolarHBondContact O-N 3.4Å; R575-H579 VanDerWaalsContact O-N 3.12Å; R575-R602 VanDerWaalsContact NH1-NH2 3.19Å
576	L	90.3	Very high	86.7	Confident	27 Å²	27	72.1 Å²	72.1	14%	0.141	37%	0.372	C	S	.	.	H	α-helix	trans	-68.5	-49	169.7	171.6	61.7	0	0	0	110.4	F561 A562 C563 F570 R572 Q573 E578 H579 M580	F561-L576 HydrophobicContact CB-CB 4.35Å; F561-L576 HydrophobicContact CB-CD2 4.09Å; A562-L576 WeakPolarHBondContact O-CD1 3.24Å; A562-L576 WeakPolarHBondContact O-CD2 3.43Å; C563-L576 HydrophobicContact CB-CD1 3.6Å; F570-L576 HydrophobicContact CD2-CB 4.04Å; F570-L576 HydrophobicContact CD2-CD1 4.04Å; F570-L576 HydrophobicContact CE2-CD1 4.12Å; F570-L576 HydrophobicContact CG-CB 4.48Å; R572-L576 PolarHBondContact O-N 3.4Å; Q573-L576 WeakPolarHBondContact O-CA 3.47Å; Q573-L576 WeakPolarHBondContact O-CB 3.42Å; Q573-L576 PolarHBondContact O-N 3.3Å; L576-E578 VanDerWaalsContact C-N 3.34Å; L576-E578 PolarHBondContact O-N 2.94Å; L576-H579 CarbonylContact O-C 3.53Å; L576-H579 WeakPolarHBondContact O-CA 3.46Å; L576-H579 WeakPolarHBondContact O-CB 3.28Å; L576-H579 PolarHBondContact O-N 2.76Å; L576-M580 HydrophobicContact CD1-CG 4.33Å; L576-M580 HydrophobicContact CD1-SD 3.75Å; L576-M580 HydrophobicContact CG-SD 4.5Å; L576-M580 WeakPolarHBondContact O-CG 3.02Å; L576-M580 PolarHBondContact O-N 2.77Å
577	T	87.8	Confident	86.5	Confident	78 Å²	78	75.4 Å²	75.4	48%	0.479	38%	0.38	S	S	.	.	H	α-helix	trans	-66.4	-34.4	179.2	61.2	0	0	0	0	112.9	Q573 Y574 H579 M580	Q573-T577 PolarHBondContact O-N 2.87Å; Y574-T577 WeakPolarHBondContact CA-OG1 3.24Å; Y574-T577 PolarHBondContact O-OG1 3.06Å; T577-H579 VanDerWaalsContact C-N 3.25Å; T577-H579 PolarHBondContact O-N 3.26Å; T577-M580 PolarHBondContact O-N 3.47Å
578	E	87.6	Confident	86.5	Confident	26 Å²	26	76.6 Å²	76.6	12%	0.121	38%	0.379	C	S	.	.	H	α-helix	trans	-62	-31.8	168.4	-178.8	-178.4	-152	0	0	112.7	Y574 R575 L576 Q600 R602	Y574-E578 WeakPolarHBondContact O-CB 3.49Å; Y574-E578 PolarHBondContact O-N 3.39Å; R575-E578 WeakPolarHBondContact CD-OE2 3.46Å; R575-E578 IonicContact CZ-OE2 2.9Å; R575-E578 IonicContact NE-OE2 2.61Å; R575-E578 IonicContact NH1-OE1 2.62Å; R575-E578 PolarHBondContact NH1-OE1 3.33Å; R575-E578 IonicContact NH1-OE2 2.68Å; R575-E578 PolarHBondContact NH1-OE2 3.14Å; L576-E578 VanDerWaalsContact C-N 3.34Å; L576-E578 PolarHBondContact O-N 2.94Å; E578-Q600 HydrophobicContact CG-CG 3.87Å; E578-Q600 WeakPolarHBondContact OE1-CG 3.45Å; E578-Q600 PolarHBondContact OE1-NE2 3.36Å; E578-R602 IonicContact OE1-CZ 3.54Å; E578-R602 IonicContact OE1-NH1 3.65Å; E578-R602 PolarHBondContact OE1-NH1 2.93Å; E578-R602 IonicContact OE1-NH2 3.57Å; E578-R602 PolarHBondContact OE1-NH2 3.39Å
579	H	89.5	Confident	86.5	Confident	27 Å²	27	74.4 Å²	74.4	13%	0.125	37%	0.365	C	S	.	.	H	α-helix	trans	-80.5	-34.6	176.8	172.5	76.9	0	0	0	113.1	C566 F570 R575 L576 T577 R581 V582 H583	C566-H579 PolarHBondContact SG-NE2 3.35Å; F570-H579 HydrophobicContact CE1-CB 4.13Å; F570-H579 HydrophobicContact CE2-CB 4.05Å; F570-H579 AromaticContact CE2-CD2 3.63Å; F570-H579 AromaticContact CE2-CG 3.82Å; F570-H579 HydrophobicContact CZ-CB 3.6Å; F570-H579 AromaticContact CZ-CD2 3.61Å; F570-H579 AromaticContact CZ-CG 3.35Å; F570-H579 AromaticContact CZ-ND1 3.72Å; R575-H579 VanDerWaalsContact O-CB 3.26Å; R575-H579 WeakPolarHBondContact O-CB 3.33Å; R575-H579 PolarHBondContact O-N 3.4Å; R575-H579 VanDerWaalsContact O-N 3.12Å; L576-H579 CarbonylContact O-C 3.53Å; L576-H579 WeakPolarHBondContact O-CA 3.46Å; L576-H579 WeakPolarHBondContact O-CB 3.28Å; L576-H579 PolarHBondContact O-N 2.76Å; T577-H579 VanDerWaalsContact C-N 3.25Å; T577-H579 PolarHBondContact O-N 3.26Å; H579-R581 PolarHBondContact O-N 3.18Å; H579-R581 VanDerWaalsContact O-N 3.13Å; H579-V582 VanDerWaalsContact O-CB 3.22Å; H579-V582 WeakPolarHBondContact O-CB 3.3Å; H579-V582 WeakPolarHBondContact O-CG2 3.27Å; H579-V582 PolarHBondContact O-N 3.08Å; H579-H583 AromaticContact CD2-NE2 3.41Å; H579-H583 PolarHBondContact CD2-NE2 3.17Å; H579-H583 AromaticContact CE1-NE2 3.61Å; H579-H583 AromaticContact NE2-NE2 2.69Å; H579-H583 PolarHBondContact NE2-NE2 3.19Å
580	M	88.3	Confident	86.7	Confident	54 Å²	54	71.7 Å²	71.7	27%	0.266	36%	0.358	S	S	.	.	H	α-helix	trans	-57.9	-28.6	176	-61.1	-46.3	-66.3	0	0	112.5	C563 E565 L576 T577 V582 H583 S584	C563-M580 HydrophobicContact CB-SD 4.26Å; C563-M580 PolarHBondContact SG-SD 3.28Å; E565-M580 HydrophobicContact CG-CE 4.23Å; E565-M580 WeakPolarHBondContact OE1-CE 3.4Å; L576-M580 HydrophobicContact CD1-CG 4.33Å; L576-M580 HydrophobicContact CD1-SD 3.75Å; L576-M580 HydrophobicContact CG-SD 4.5Å; L576-M580 WeakPolarHBondContact O-CG 3.02Å; L576-M580 PolarHBondContact O-N 2.77Å; T577-M580 PolarHBondContact O-N 3.47Å; M580-V582 PolarHBondContact O-N 2.87Å; M580-V582 VanDerWaalsContact O-N 3.16Å; M580-H583 PolarHBondContact O-N 2.8Å; M580-S584 PolarHBondContact O-N 3.03Å; M580-S584 PolarHBondContact O-OG 2.93Å
581	R	88.4	Confident	86.9	Confident	66 Å²	66	69.8 Å²	69.8	25%	0.249	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-15.6	172.5	-63.6	-178.2	-178.8	167.1	1.4	114.5	H579 G585 E586 Y589 T599	H579-R581 PolarHBondContact O-N 3.18Å; H579-R581 VanDerWaalsContact O-N 3.13Å; R581-G585 CarbonylContact O-C 3.11Å; R581-G585 WeakPolarHBondContact O-CA 3.39Å; R581-G585 PolarHBondContact O-N 3.28Å; R581-G585 VanDerWaalsContact O-N 3.13Å; R581-E586 HydrophobicContact CB-CB 4.32Å; R581-E586 HydrophobicContact CG-CB 4.15Å; R581-E586 PolarHBondContact O-N 3.41Å; R581-Y589 PolarHBondContact NH1-OH 3.3Å; R581-T599 PolarHBondContact NH1-O 3.17Å; R581-T599 VanDerWaalsContact NH1-O 3.12Å
582	V	86	Confident	87.2	Confident	94 Å²	94	75.8 Å²	75.8	57%	0.57	37%	0.374	S	S	*	.	H	α-helix	trans	-74.8	-35.6	171.3	-176.6	0	0	0	0	110.5	H579 M580	H579-V582 VanDerWaalsContact O-CB 3.22Å; H579-V582 WeakPolarHBondContact O-CB 3.3Å; H579-V582 WeakPolarHBondContact O-CG2 3.27Å; H579-V582 PolarHBondContact O-N 3.08Å; M580-V582 PolarHBondContact O-N 2.87Å; M580-V582 VanDerWaalsContact O-N 3.16Å
583	H	86.6	Confident	87.3	Confident	79 Å²	79	77.2 Å²	77.2	37%	0.366	39%	0.388	S	S	.	.	H	α-helix	trans	-80.3	-48.7	178.3	-60.3	-55.5	0	0	0	112	C563 E565 C566 H579 M580 G585	C563-H583 PolarHBondContact SG-NE2 3.04Å; E565-H583 VanDerWaalsContact OE1-CB 3.27Å; E565-H583 WeakPolarHBondContact OE1-CB 3.31Å; E565-H583 IonicContact OE1-CD2 2.68Å; E565-H583 IonicContact OE1-CG 3.34Å; E565-H583 WeakPolarHBondContact OE2-CB 3.37Å; E565-H583 IonicContact OE2-CG 3.94Å; C566-H583 WeakPolarHBondContact CB-CE1 3.43Å; C566-H583 WeakPolarHBondContact CB-NE2 3.35Å; C566-H583 PolarHBondContact SG-NE2 3.09Å; H579-H583 AromaticContact CD2-NE2 3.41Å; H579-H583 PolarHBondContact CD2-NE2 3.17Å; H579-H583 AromaticContact CE1-NE2 3.61Å; H579-H583 AromaticContact NE2-NE2 2.69Å; H579-H583 PolarHBondContact NE2-NE2 3.19Å; M580-H583 PolarHBondContact O-N 2.8Å; H583-G585 PolarHBondContact O-N 3.02Å
584	S	84.6	Confident	87.5	Confident	67 Å²	67	74.5 Å²	74.5	47%	0.469	38%	0.382	S	S	.	.	S	Bend	trans	-70.6	-15.3	175.4	67.6	0	0	0	0	113.7	M580 E586	M580-S584 PolarHBondContact O-N 3.03Å; M580-S584 PolarHBondContact O-OG 2.93Å; S584-E586 PolarHBondContact O-N 2.59Å; S584-E586 VanDerWaalsContact OG-CG 3.3Å; S584-E586 WeakPolarHBondContact OG-CG 3.3Å; S584-E586 PolarHBondContact OG-OE1 2.84Å
585	G	84.8	Confident	87.6	Confident	44 Å²	44	70.9 Å²	70.9	45%	0.454	38%	0.379	S	S	.	.			trans	71.2	7	-176.6	0	0	0	0	0	114.4	R581 H583 K587	R581-G585 CarbonylContact O-C 3.11Å; R581-G585 WeakPolarHBondContact O-CA 3.39Å; R581-G585 PolarHBondContact O-N 3.28Å; R581-G585 VanDerWaalsContact O-N 3.13Å; H583-G585 PolarHBondContact O-N 3.02Å; G585-K587 PolarHBondContact O-N 3.2Å
586	E	85.1	Confident	87.5	Confident	108 Å²	108	67.6 Å²	67.6	51%	0.505	37%	0.373	S	S	.	.			trans	-60.1	119.9	-176.4	-81.8	171	-155.9	0	0	113.2	R581 S584 P588 T599	R581-E586 HydrophobicContact CB-CB 4.32Å; R581-E586 HydrophobicContact CG-CB 4.15Å; R581-E586 PolarHBondContact O-N 3.41Å; S584-E586 PolarHBondContact O-N 2.59Å; S584-E586 VanDerWaalsContact OG-CG 3.3Å; S584-E586 WeakPolarHBondContact OG-CG 3.3Å; S584-E586 PolarHBondContact OG-OE1 2.84Å; E586-P588 VanDerWaalsContact C-CD 3.41Å; E586-P588 VanDerWaalsContact O-CD 3.23Å; E586-P588 WeakPolarHBondContact O-CD 3.47Å; E586-T599 WeakPolarHBondContact O-CG2 3.37Å
587	K	85.9	Confident	87.5	Confident	120 Å²	120	71.6 Å²	71.6	52%	0.522	39%	0.389	S	S	.	.			trans	-118.1	71.7	176.6	-69.4	170.1	175.4	-170.4	0	110.8	G585 Y589 K597 F598 T599	G585-K587 PolarHBondContact O-N 3.2Å; K587-Y589 PolarHBondContact O-N 3.03Å; K587-K597 HydrophobicContact CB-CB 3.68Å; K587-K597 HydrophobicContact CD-CB 4.09Å; K587-K597 HydrophobicContact CG-CB 4.48Å; K587-F598 CarbonylContact C-O 3.58Å; K587-F598 VanDerWaalsContact C-O 3.26Å; K587-F598 VanDerWaalsContact CA-O 3.28Å; K587-F598 WeakPolarHBondContact CA-O 3.36Å; K587-T599 HydrophobicContact CG-CG2 3.88Å
588	P	85.1	Confident	87.4	Confident	77 Å²	77	70 Å²	70	50%	0.5	38%	0.376	S	S	.	.			trans	-73.7	-4.5	-171.7	30.6	-36.8	0	0	0	114.6	E586	E586-P588 VanDerWaalsContact C-CD 3.41Å; E586-P588 VanDerWaalsContact O-CD 3.23Å; E586-P588 WeakPolarHBondContact O-CD 3.47Å
589	Y	87.3	Confident	87.3	Confident	66 Å²	66	70.2 Å²	70.2	26%	0.259	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113	179.1	-51.6	-75.7	0	0	0	110.3	R581 K587 K597 F598 T599 Q601	R581-Y589 PolarHBondContact NH1-OH 3.3Å; K587-Y589 PolarHBondContact O-N 3.03Å; Y589-K597 CarbonylContact O-C 3.57Å; Y589-K597 WeakPolarHBondContact O-CA 3.24Å; Y589-F598 PolarHBondContact N-O 3.23Å; Y589-F598 PolarHBondContact O-N 2.9Å; Y589-T599 WeakPolarHBondContact CE2-O 3.49Å; Y589-Q601 HydrophobicContact CD1-CB 3.97Å; Y589-Q601 HydrophobicContact CD1-CG 4.23Å; Y589-Q601 HydrophobicContact CD2-CB 4.44Å; Y589-Q601 VanDerWaalsContact CD2-N 3.31Å; Y589-Q601 HydrophobicContact CE1-CB 3.73Å; Y589-Q601 HydrophobicContact CE1-CG 4.16Å; Y589-Q601 HydrophobicContact CE2-CB 4.2Å; Y589-Q601 VanDerWaalsContact CE2-N 3.26Å; Y589-Q601 HydrophobicContact CG-CB 4.33Å
590	E	90.4	Very high	87.1	Confident	72 Å²	72	70.6 Å²	70.6	34%	0.336	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.5	-176.1	-177.9	158.9	-165	0	0	112.2	Q592 K597	E590-Q592 PolarHBondContact O-N 3.35Å; E590-K597 HydrophobicContact CB-CG 4.39Å; E590-K597 VanDerWaalsContact CD-CE 3.4Å; E590-K597 HydrophobicContact CG-CD 4.48Å; E590-K597 HydrophobicContact CG-CG 4.07Å; E590-K597 WeakPolarHBondContact OE1-CE 3.19Å; E590-K597 IonicContact OE1-NZ 3.71Å; E590-K597 PolarHBondContact OE1-NZ 3.03Å; E590-K597 WeakPolarHBondContact OE2-CE 3.48Å; E590-K597 IonicContact OE2-NZ 2.7Å; E590-K597 PolarHBondContact OE2-NZ 3.37Å
591	C	90.8	Very high	87	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.007	39%	0.394	C	S	.	.			trans	-79.9	109.5	176.6	-175.8	0	0	0	0	110.8	L593 C594 G595 G596 F598 L604 H607	C591-L593 PolarHBondContact O-N 3.33Å; C591-C594 PolarHBondContact O-N 2.86Å; C591-C594 VanDerWaalsContact O-N 3.16Å; C591-G595 WeakPolarHBondContact O-CA 3.25Å; C591-G595 PolarHBondContact O-N 3.48Å; C591-G596 WeakPolarHBondContact CB-O 3.32Å; C591-G596 PolarHBondContact N-O 3.12Å; C591-F598 HydrophobicContact CB-CE2 4.31Å; C591-L604 HydrophobicContact CB-CD1 3.62Å; C591-H607 VanDerWaalsContact SG-CD2 3.53Å; C591-H607 PolarHBondContact SG-NE2 3.02Å; C591-H607 VanDerWaalsContact SG-NE2 3.39Å
592	Q	88.7	Confident	86.9	Confident	170 Å²	170	76.2 Å²	76.2	79%	0.794	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-11.7	-179.8	-56.6	-58.3	-37.7	0	0	114.1	E590	E590-Q592 PolarHBondContact O-N 3.35Å
593	L	86.9	Confident	87	Confident	115 Å²	115	74.6 Å²	74.6	60%	0.602	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-18.7	178.5	-57.9	177.2	0	0	0	113.6	C591 L608 H611	C591-L593 PolarHBondContact O-N 3.33Å; L593-L608 HydrophobicContact CD1-CD2 4.16Å; L593-H611 HydrophobicContact CD1-CB 3.54Å
594	C	90.2	Very high	87.2	Confident	71 Å²	71	72 Å²	72	48%	0.48	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.6	4.8	-175.5	68.3	0	0	0	0	116.2	C591 G596 H607	C591-C594 PolarHBondContact O-N 2.86Å; C591-C594 VanDerWaalsContact O-N 3.16Å; C594-G596 PolarHBondContact O-N 3.04Å; C594-H607 PolarHBondContact SG-NE2 3Å
595	G	86.8	Confident	87.4	Confident	37 Å²	37	72.6 Å²	72.6	38%	0.381	38%	0.378	S	S	.	.			trans	70.4	6.4	-176.3	0	0	0	0	0	114.9	C591 K597	C591-G595 WeakPolarHBondContact O-CA 3.25Å; C591-G595 PolarHBondContact O-N 3.48Å; G595-K597 VanDerWaalsContact O-CG 3.25Å; G595-K597 WeakPolarHBondContact O-CG 3.47Å; G595-K597 PolarHBondContact O-N 3.48Å
596	G	87.4	Confident	87.5	Confident	21 Å²	21	74 Å²	74	22%	0.216	38%	0.381	C	S	.	.			trans	-63.8	118.2	179.7	0	0	0	0	0	111.8	C591 C594 F598	C591-G596 WeakPolarHBondContact CB-O 3.32Å; C591-G596 PolarHBondContact N-O 3.12Å; C594-G596 PolarHBondContact O-N 3.04Å; G596-F598 VanDerWaalsContact O-CD2 3.31Å; G596-F598 WeakPolarHBondContact O-CD2 3.37Å; G596-F598 WeakPolarHBondContact O-CE2 3.44Å
597	K	88.9	Confident	87.7	Confident	110 Å²	110	70.3 Å²	70.3	48%	0.478	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.7	-176.2	-42.9	-160.5	-170.3	-135.4	0	112.6	K587 Y589 E590 G595	K587-K597 HydrophobicContact CB-CB 3.68Å; K587-K597 HydrophobicContact CD-CB 4.09Å; K587-K597 HydrophobicContact CG-CB 4.48Å; Y589-K597 CarbonylContact O-C 3.57Å; Y589-K597 WeakPolarHBondContact O-CA 3.24Å; E590-K597 HydrophobicContact CB-CG 4.39Å; E590-K597 VanDerWaalsContact CD-CE 3.4Å; E590-K597 HydrophobicContact CG-CD 4.48Å; E590-K597 HydrophobicContact CG-CG 4.07Å; E590-K597 WeakPolarHBondContact OE1-CE 3.19Å; E590-K597 IonicContact OE1-NZ 3.71Å; E590-K597 PolarHBondContact OE1-NZ 3.03Å; E590-K597 WeakPolarHBondContact OE2-CE 3.48Å; E590-K597 IonicContact OE2-NZ 2.7Å; E590-K597 PolarHBondContact OE2-NZ 3.37Å; G595-K597 VanDerWaalsContact O-CG 3.25Å; G595-K597 WeakPolarHBondContact O-CG 3.47Å; G595-K597 PolarHBondContact O-N 3.48Å
598	F	85.9	Confident	87.8	Confident	46 Å²	46	67.4 Å²	67.4	20%	0.202	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	145.6	-172.8	-57.8	-85.7	0	0	0	111.9	K587 Y589 C591 G596 Q600 N603 L604 H607	K587-F598 CarbonylContact C-O 3.58Å; K587-F598 VanDerWaalsContact C-O 3.26Å; K587-F598 VanDerWaalsContact CA-O 3.28Å; K587-F598 WeakPolarHBondContact CA-O 3.36Å; Y589-F598 PolarHBondContact N-O 3.23Å; Y589-F598 PolarHBondContact O-N 2.9Å; C591-F598 HydrophobicContact CB-CE2 4.31Å; G596-F598 VanDerWaalsContact O-CD2 3.31Å; G596-F598 WeakPolarHBondContact O-CD2 3.37Å; G596-F598 WeakPolarHBondContact O-CE2 3.44Å; F598-Q600 VanDerWaalsContact C-N 3.3Å; F598-N603 HydrophobicContact CB-CB 4.35Å; F598-N603 HydrophobicContact CD1-CB 3.89Å; F598-N603 HydrophobicContact CG-CB 4.36Å; F598-L604 HydrophobicContact CB-CB 4.47Å; F598-L604 HydrophobicContact CD2-CB 3.93Å; F598-L604 HydrophobicContact CD2-CD1 3.97Å; F598-L604 HydrophobicContact CE2-CD1 4.05Å; F598-L604 HydrophobicContact CG-CB 4.35Å; F598-H607 HydrophobicContact CE1-CB 4.14Å; F598-H607 HydrophobicContact CE2-CB 4.05Å; F598-H607 AromaticContact CE2-CD2 3.66Å; F598-H607 AromaticContact CE2-CG 3.78Å; F598-H607 HydrophobicContact CZ-CB 3.58Å; F598-H607 AromaticContact CZ-CD2 3.69Å; F598-H607 AromaticContact CZ-CG 3.34Å; F598-H607 AromaticContact CZ-ND1 3.62Å
599	T	85.4	Confident	88	Confident	29 Å²	29	71.8 Å²	71.8	18%	0.178	36%	0.36	C	S	.	.	S	Bend	trans	-75	-19.4	175.7	53.9	0	0	0	0	113.2	R581 E586 K587 Y589	R581-T599 PolarHBondContact NH1-O 3.17Å; R581-T599 VanDerWaalsContact NH1-O 3.12Å; E586-T599 WeakPolarHBondContact O-CG2 3.37Å; K587-T599 HydrophobicContact CG-CG2 3.88Å; Y589-T599 WeakPolarHBondContact CE2-O 3.49Å
600	Q	85.9	Confident	87.8	Confident	36 Å²	36	74.7 Å²	74.7	17%	0.168	38%	0.377	C	S	.	.	S	Bend	trans	-138.8	132.4	-167.6	-65.5	165.8	7	0	0	111.8	E578 F598 R602 N603 L604	E578-Q600 HydrophobicContact CG-CG 3.87Å; E578-Q600 WeakPolarHBondContact OE1-CG 3.45Å; E578-Q600 PolarHBondContact OE1-NE2 3.36Å; F598-Q600 VanDerWaalsContact C-N 3.3Å; Q600-R602 VanDerWaalsContact C-N 3.32Å; Q600-R602 HydrophobicContact CB-CG 4.45Å; Q600-R602 VanDerWaalsContact CD-NH2 3.26Å; Q600-R602 PolarHBondContact O-N 3.06Å; Q600-R602 VanDerWaalsContact OE1-CZ 3.22Å; Q600-N603 HydrophobicContact CB-CB 4.45Å; Q600-N603 WeakPolarHBondContact O-CB 3.33Å; Q600-N603 PolarHBondContact O-N 2.81Å; Q600-N603 PolarHBondContact OE1-ND2 3.31Å; Q600-N603 PolarHBondContact OE1-OD1 2.98Å; Q600-L604 PolarHBondContact O-N 2.83Å
601	Q	85.9	Confident	87.4	Confident	114 Å²	114	75.2 Å²	75.2	53%	0.533	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-37.2	-178.3	-168.7	-178.7	-0.4	0	0	113.1	Y589 N603 L604 I605	Y589-Q601 HydrophobicContact CD1-CB 3.97Å; Y589-Q601 HydrophobicContact CD1-CG 4.23Å; Y589-Q601 HydrophobicContact CD2-CB 4.44Å; Y589-Q601 VanDerWaalsContact CD2-N 3.31Å; Y589-Q601 HydrophobicContact CE1-CB 3.73Å; Y589-Q601 HydrophobicContact CE1-CG 4.16Å; Y589-Q601 HydrophobicContact CE2-CB 4.2Å; Y589-Q601 VanDerWaalsContact CE2-N 3.26Å; Y589-Q601 HydrophobicContact CG-CB 4.33Å; Q601-N603 PolarHBondContact O-N 3.3Å; Q601-L604 PolarHBondContact O-N 3.29Å; Q601-I605 HydrophobicContact CG-CD1 4.05Å; Q601-I605 WeakPolarHBondContact O-CG1 3.4Å; Q601-I605 PolarHBondContact O-N 2.75Å
602	R	86.9	Confident	86.6	Confident	123 Å²	123	80.2 Å²	80.2	46%	0.464	41%	0.411	S	S	.	.	H	α-helix	trans	-61.5	-32	176.9	68.6	171.3	174.3	-82.4	-5.4	112.6	R575 E578 Q600 I605 S606	R575-R602 VanDerWaalsContact NH1-NH2 3.19Å; E578-R602 IonicContact OE1-CZ 3.54Å; E578-R602 IonicContact OE1-NH1 3.65Å; E578-R602 PolarHBondContact OE1-NH1 2.93Å; E578-R602 IonicContact OE1-NH2 3.57Å; E578-R602 PolarHBondContact OE1-NH2 3.39Å; Q600-R602 VanDerWaalsContact C-N 3.32Å; Q600-R602 HydrophobicContact CB-CG 4.45Å; Q600-R602 VanDerWaalsContact CD-NH2 3.26Å; Q600-R602 PolarHBondContact O-N 3.06Å; Q600-R602 VanDerWaalsContact OE1-CZ 3.22Å; R602-I605 PolarHBondContact O-N 3.14Å; R602-S606 WeakPolarHBondContact O-CB 3.43Å; R602-S606 PolarHBondContact O-N 2.84Å
603	N	87.7	Confident	85.3	Confident	60 Å²	60	75.7 Å²	75.7	32%	0.321	40%	0.398	S	S	.	.	H	α-helix	trans	-74	-40.3	178.9	-59.6	2.7	0	0	0	110	F598 Q600 Q601 S606 H607	F598-N603 HydrophobicContact CB-CB 4.35Å; F598-N603 HydrophobicContact CD1-CB 3.89Å; F598-N603 HydrophobicContact CG-CB 4.36Å; Q600-N603 HydrophobicContact CB-CB 4.45Å; Q600-N603 WeakPolarHBondContact O-CB 3.33Å; Q600-N603 PolarHBondContact O-N 2.81Å; Q600-N603 PolarHBondContact OE1-ND2 3.31Å; Q600-N603 PolarHBondContact OE1-OD1 2.98Å; Q601-N603 PolarHBondContact O-N 3.3Å; N603-S606 PolarHBondContact O-N 2.98Å; N603-H607 VanDerWaalsContact O-CB 3.23Å; N603-H607 WeakPolarHBondContact O-CB 3.44Å; N603-H607 PolarHBondContact O-N 3.12Å
604	L	89.8	Confident	83.9	Confident	24 Å²	24	76.1 Å²	76.1	13%	0.126	41%	0.407	C	S	.	.	H	α-helix	trans	-60.5	-46	170.4	173.3	62.1	0	0	0	111.5	C591 F598 Q600 Q601 S606 H607 L608	C591-L604 HydrophobicContact CB-CD1 3.62Å; F598-L604 HydrophobicContact CB-CB 4.47Å; F598-L604 HydrophobicContact CD2-CB 3.93Å; F598-L604 HydrophobicContact CD2-CD1 3.97Å; F598-L604 HydrophobicContact CE2-CD1 4.05Å; F598-L604 HydrophobicContact CG-CB 4.35Å; Q600-L604 PolarHBondContact O-N 2.83Å; Q601-L604 PolarHBondContact O-N 3.29Å; L604-S606 PolarHBondContact O-N 3.43Å; L604-H607 PolarHBondContact O-N 3.13Å; L604-L608 HydrophobicContact CD1-CD1 4.03Å; L604-L608 HydrophobicContact CD1-CG 3.97Å; L604-L608 HydrophobicContact CG-CD1 3.95Å; L604-L608 HydrophobicContact CG-CG 4.35Å; L604-L608 WeakPolarHBondContact O-CB 3.45Å; L604-L608 VanDerWaalsContact O-CG 3.31Å; L604-L608 WeakPolarHBondContact O-CG 3.39Å; L604-L608 PolarHBondContact O-N 2.95Å
605	I	88.6	Confident	81.6	Confident	80 Å²	80	82 Å²	82	41%	0.41	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-43.4	178.1	-67.8	166.9	0	0	0	111.1	Q601 R602 H607 L608 R609	Q601-I605 HydrophobicContact CG-CD1 4.05Å; Q601-I605 WeakPolarHBondContact O-CG1 3.4Å; Q601-I605 PolarHBondContact O-N 2.75Å; R602-I605 PolarHBondContact O-N 3.14Å; I605-H607 VanDerWaalsContact C-N 3.32Å; I605-H607 PolarHBondContact O-N 2.61Å; I605-L608 PolarHBondContact O-N 2.99Å; I605-R609 PolarHBondContact O-N 3.35Å
606	S	88.4	Confident	81.4	Confident	74 Å²	74	84.3 Å²	84.3	52%	0.517	45%	0.453	S	S	.	.	H	α-helix	trans	-66	-35.4	176.4	-162.1	0	0	0	0	112.3	R602 N603 L604	R602-S606 WeakPolarHBondContact O-CB 3.43Å; R602-S606 PolarHBondContact O-N 2.84Å; N603-S606 PolarHBondContact O-N 2.98Å; L604-S606 PolarHBondContact O-N 3.43Å
607	H	89.4	Confident	81.1	Confident	30 Å²	30	87.6 Å²	87.6	14%	0.139	47%	0.465	C	S	.	.	H	α-helix	trans	-69.3	-41.1	175.3	169.4	82.6	0	0	0	112.4	C591 C594 F598 N603 L604 I605 R609 M610 H611	C591-H607 VanDerWaalsContact SG-CD2 3.53Å; C591-H607 PolarHBondContact SG-NE2 3.02Å; C591-H607 VanDerWaalsContact SG-NE2 3.39Å; C594-H607 PolarHBondContact SG-NE2 3Å; F598-H607 HydrophobicContact CE1-CB 4.14Å; F598-H607 HydrophobicContact CE2-CB 4.05Å; F598-H607 AromaticContact CE2-CD2 3.66Å; F598-H607 AromaticContact CE2-CG 3.78Å; F598-H607 HydrophobicContact CZ-CB 3.58Å; F598-H607 AromaticContact CZ-CD2 3.69Å; F598-H607 AromaticContact CZ-CG 3.34Å; F598-H607 AromaticContact CZ-ND1 3.62Å; N603-H607 VanDerWaalsContact O-CB 3.23Å; N603-H607 WeakPolarHBondContact O-CB 3.44Å; N603-H607 PolarHBondContact O-N 3.12Å; L604-H607 PolarHBondContact O-N 3.13Å; I605-H607 VanDerWaalsContact C-N 3.32Å; I605-H607 PolarHBondContact O-N 2.61Å; H607-R609 PolarHBondContact O-N 2.89Å; H607-M610 HydrophobicContact CB-CE 4.49Å; H607-M610 WeakPolarHBondContact ND1-CE 3.32Å; H607-M610 WeakPolarHBondContact O-CB 3.25Å; H607-M610 PolarHBondContact O-N 2.87Å; H607-H611 AromaticContact CD2-NE2 3.71Å; H607-H611 AromaticContact CE1-NE2 3.41Å; H607-H611 PolarHBondContact CE1-NE2 3.06Å; H607-H611 AromaticContact NE2-CD2 3.71Å; H607-H611 AromaticContact NE2-NE2 2.96Å; H607-H611 PolarHBondContact NE2-NE2 3.3Å; H607-H611 PolarHBondContact O-CD2 2.65Å
608	L	87.9	Confident	80.6	Confident	60 Å²	60	86.3 Å²	86.3	31%	0.314	46%	0.464	S	S	.	.	H	α-helix	trans	-58.9	-33.1	176.5	-75.9	168	0	0	0	112.2	L593 L604 I605 M610 H611 T612	L593-L608 HydrophobicContact CD1-CD2 4.16Å; L604-L608 HydrophobicContact CD1-CD1 4.03Å; L604-L608 HydrophobicContact CD1-CG 3.97Å; L604-L608 HydrophobicContact CG-CD1 3.95Å; L604-L608 HydrophobicContact CG-CG 4.35Å; L604-L608 WeakPolarHBondContact O-CB 3.45Å; L604-L608 VanDerWaalsContact O-CG 3.31Å; L604-L608 WeakPolarHBondContact O-CG 3.39Å; L604-L608 PolarHBondContact O-N 2.95Å; I605-L608 PolarHBondContact O-N 2.99Å; L608-M610 PolarHBondContact O-N 3.41Å; L608-H611 PolarHBondContact O-N 3.45Å; L608-T612 PolarHBondContact O-N 2.69Å
609	R	87.8	Confident	80.3	Confident	169 Å²	169	88.7 Å²	88.7	64%	0.638	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.4	174.1	-68.3	174.9	-178.5	-174	-2.2	113.7	I605 H607 H611 T612 S613	I605-R609 PolarHBondContact O-N 3.35Å; H607-R609 PolarHBondContact O-N 2.89Å; R609-H611 VanDerWaalsContact C-N 3.29Å; R609-T612 WeakPolarHBondContact CA-OG1 2.93Å; R609-T612 PolarHBondContact O-N 2.88Å; R609-T612 PolarHBondContact O-OG1 2.96Å; R609-S613 PolarHBondContact O-N 2.7Å; R609-S613 VanDerWaalsContact O-N 3.09Å; R609-S613 PolarHBondContact O-OG 2.92Å
610	M	84.9	Confident	80	Confident	126 Å²	126	92.4 Å²	92.4	62%	0.621	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-17.6	177.2	-49.8	-171.2	-50.2	0	0	112.8	H607 L608 S613	H607-M610 HydrophobicContact CB-CE 4.49Å; H607-M610 WeakPolarHBondContact ND1-CE 3.32Å; H607-M610 WeakPolarHBondContact O-CB 3.25Å; H607-M610 PolarHBondContact O-N 2.87Å; L608-M610 PolarHBondContact O-N 3.41Å; M610-S613 PolarHBondContact O-OG 2.64Å
611	H	81.9	Confident	79.6	Confident	83 Å²	83	96.2 Å²	96.2	38%	0.384	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-26	170.9	-63.8	-87.7	0	0	0	112.2	L593 H607 L608 R609	L593-H611 HydrophobicContact CD1-CB 3.54Å; H607-H611 AromaticContact CD2-NE2 3.71Å; H607-H611 AromaticContact CE1-NE2 3.41Å; H607-H611 PolarHBondContact CE1-NE2 3.06Å; H607-H611 AromaticContact NE2-CD2 3.71Å; H607-H611 AromaticContact NE2-NE2 2.96Å; H607-H611 PolarHBondContact NE2-NE2 3.3Å; H607-H611 PolarHBondContact O-CD2 2.65Å; L608-H611 PolarHBondContact O-N 3.45Å; R609-H611 VanDerWaalsContact C-N 3.29Å
612	T	73.3	Confident	79.2	Confident	107 Å²	107	94.9 Å²	94.9	66%	0.656	52%	0.52	S	S	*	.	S	Bend	trans	-95.7	0.1	179.7	63.2	0	0	0	0	113.9	L608 R609 P614	L608-T612 PolarHBondContact O-N 2.69Å; R609-T612 WeakPolarHBondContact CA-OG1 2.93Å; R609-T612 PolarHBondContact O-N 2.88Å; R609-T612 PolarHBondContact O-OG1 2.96Å; T612-P614 VanDerWaalsContact O-CD 3.24Å; T612-P614 WeakPolarHBondContact O-CD 3.39Å
613	S	61.6	Low	78.6	Confident	75 Å²	75	92.8 Å²	92.8	52%	0.524	52%	0.524	S	S	.	.			trans	-84.5	109.2	172.5	51.5	0	0	0	0	110.3	R609 M610	R609-S613 PolarHBondContact O-N 2.7Å; R609-S613 VanDerWaalsContact O-N 3.09Å; R609-S613 PolarHBondContact O-OG 2.92Å; M610-S613 PolarHBondContact O-OG 2.64Å
614	P	56.8	Low	77.8	Confident	124 Å²	124	95.5 Å²	95.5	81%	0.805	54%	0.541	S	S	*	.			trans	-66.9	147.1	163.6	31.2	-34.1	0	0	0	109.5	T612	T612-P614 VanDerWaalsContact O-CD 3.24Å; T612-P614 WeakPolarHBondContact O-CD 3.39Å
615	S	43.2	Very low	76.7	Confident	194 Å²	194	102 Å²	102	100%	1.357	58%	0.579	S	S	*	*			trans	-83	0	171.3	60.2	0	0	0	0	111.8

Retrieved 615 of 615 residues in 138 ms (Link to these results)

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