A0A060WSS3_ONCMY Loading...

X-prolyl aminopeptidase (aminopeptidase P) 2, membrane-bound

AlphaFold DB , UniProt , Accession A0A060WSS3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 694 aa.

Structure Viewer

Loading PAE data...

(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	30.4	Very low	34.5	Very low	240 Å²	240	157.9 Å²	157.9	100%	1.182	85%	0.853	S	S	*	*				0	120.8	0	-95.8	169.7	163.7	0	0	108.1
2	Q	28.7	Very low	34.8	Very low	191 Å²	191	162 Å²	162	89%	0.893	85%	0.847	S	S	*	*			trans	60	105.2	166.5	-61.6	175.5	-5.9	0	0	116.6
3	A	27.3	Very low	35.5	Very low	103 Å²	103	165.2 Å²	165.2	85%	0.851	84%	0.841	S	S	*	*			cis	69.8	105.7	48	0	0	0	0	0	114.7
4	L	30.4	Very low	35.7	Very low	178 Å²	178	168.4 Å²	168.4	93%	0.932	84%	0.838	S	S	*	*			trans	-87.2	153.7	168.5	-77.6	157.7	0	0	0	111.1
5	P	38.8	Very low	35.9	Very low	125 Å²	125	168.3 Å²	168.3	81%	0.812	83%	0.834	S	S	*	*			trans	-121.7	159.9	158.1	33.2	-18.2	0	0	0	115.7
6	S	34.9	Very low	36.3	Very low	94 Å²	94	164.9 Å²	164.9	66%	0.657	83%	0.826	S	S	*	*			trans	-84.9	164.1	-163.2	43.2	0	0	0	0	118
7	L	37.1	Very low	36.7	Very low	176 Å²	176	161.6 Å²	161.6	92%	0.921	82%	0.816	S	S	*	*			trans	21	104.6	140	-70.6	117.4	0	0	0	118.4
8	S	37	Very low	36.9	Very low	98 Å²	98	159.1 Å²	159.1	69%	0.685	81%	0.814	S	S	*	*			trans	-149.9	6.3	161.7	63.6	0	0	0	0	116.5
9	L	37.6	Very low	37.2	Very low	156 Å²	156	154.9 Å²	154.9	82%	0.817	81%	0.806	S	S	*	*	S	Bend	trans	-97.3	-17.5	-172.4	-80.8	157.1	0	0	0	115.8
10	W	38.2	Very low	37.6	Very low	241 Å²	241	157.4 Å²	157.4	91%	0.913	81%	0.81	S	S	*	*	S	Bend	trans	-85.1	-23.3	-178	-87.9	54.1	0	0	0	114.6	R12	W10-R12 PolarHBondContact O-N 3.24Å
11	N	38.6	Very low	37.5	Very low	135 Å²	135	158 Å²	158	72%	0.722	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-11	-176.1	-104.4	-2.8	0	0	0	115
12	R	39.2	Very low	38.2	Very low	207 Å²	207	151 Å²	151	78%	0.781	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-14.9	-179.8	-79.7	-173	-177.2	-155.3	0.9	114.4	W10 T16	W10-R12 PolarHBondContact O-N 3.24Å; R12-T16 PolarHBondContact O-OG1 3.5Å
13	W	43.1	Very low	39	Very low	204 Å²	204	151 Å²	151	77%	0.773	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-34.7	-179.3	-131.9	78.4	0	0	0	112.3	Q15 T16	W13-Q15 VanDerWaalsContact C-N 3.33Å; W13-Q15 PolarHBondContact O-N 3.48Å; W13-T16 PolarHBondContact O-N 3.38Å
14	W	38	Very low	39.5	Very low	209 Å²	209	150.4 Å²	150.4	79%	0.792	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-25.5	-177.9	-153.7	-100.4	0	0	0	114.1	T16	W14-T16 VanDerWaalsContact C-N 3.35Å; W14-T16 PolarHBondContact O-N 3.33Å
15	Q	39.2	Very low	40.1	Very low	168 Å²	168	146.3 Å²	146.3	79%	0.785	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-5.2	-177.4	-72.6	-170.8	-22.1	0	0	114.6	W13	W13-Q15 VanDerWaalsContact C-N 3.33Å; W13-Q15 PolarHBondContact O-N 3.48Å
16	T	42.6	Very low	40.2	Very low	113 Å²	113	150.2 Å²	150.2	69%	0.693	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-9.7	-170.7	-35.2	0	0	0	0	114	R12 W13 W14	R12-T16 PolarHBondContact O-OG1 3.5Å; W13-T16 PolarHBondContact O-N 3.38Å; W14-T16 VanDerWaalsContact C-N 3.35Å; W14-T16 PolarHBondContact O-N 3.33Å
17	V	42.6	Very low	40.3	Very low	110 Å²	110	153.1 Å²	153.1	67%	0.667	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	-18.6	-173.7	-175.1	0	0	0	0	113.8	A19	V17-A19 PolarHBondContact O-N 3.08Å
18	C	41.4	Very low	40.3	Very low	116 Å²	116	151.5 Å²	151.5	78%	0.784	75%	0.748	S	S	*	*	S	Bend	trans	-90.3	21.2	-177.1	-72.9	0	0	0	0	115.7
19	A	41.8	Very low	40.4	Very low	80 Å²	80	151.3 Å²	151.3	66%	0.661	74%	0.742	S	S	*	*	S	Bend	trans	-130.5	74.4	178.8	0	0	0	0	0	111.1	V17	V17-A19 PolarHBondContact O-N 3.08Å
20	K	44.5	Very low	40.4	Very low	204 Å²	204	147 Å²	147	89%	0.887	74%	0.735	S	S	*	*			trans	167.7	88.8	152.6	-93.9	162.2	-172.4	-172.9	0	110.1
21	M	36.6	Very low	40.2	Very low	169 Å²	169	141.2 Å²	141.2	83%	0.833	73%	0.727	S	S	*	*			trans	-151.4	137.7	156.1	-99.7	-179.2	138	0	0	110.1
22	P	45.1	Very low	39.8	Very low	93 Å²	93	141.9 Å²	141.9	60%	0.604	73%	0.73	S	S	*	*			trans	-83.2	159.3	-173.6	-2.8	22.2	0	0	0	113.7	S24	P22-S24 PolarHBondContact O-N 2.63Å
23	F	44.6	Very low	39.5	Very low	191 Å²	191	139.7 Å²	139.7	84%	0.838	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	3.4	-170.4	-155.6	-101.5	0	0	0	116.3
24	S	38.4	Very low	39.2	Very low	91 Å²	91	134.2 Å²	134.2	64%	0.636	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-10.2	-176.9	54.7	0	0	0	0	115	P22	P22-S24 PolarHBondContact O-N 2.63Å
25	D	42.3	Very low	38.8	Very low	93 Å²	93	132.3 Å²	132.3	50%	0.497	74%	0.735	S	S	.	*	S	Bend	trans	-95.2	-1	-178.3	-65.6	-21.4	0	0	0	113.6	L27	D25-L27 VanDerWaalsContact C-N 3.32Å; D25-L27 PolarHBondContact O-N 3.22Å
26	W	40.9	Very low	38.9	Very low	206 Å²	206	128.7 Å²	128.7	78%	0.78	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-7.4	178.2	-87.8	88.6	0	0	0	114.6
27	L	37.3	Very low	38.1	Very low	156 Å²	156	126 Å²	126	82%	0.817	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-1.7	-177.1	-99.9	147.6	0	0	0	114.9	D25	D25-L27 VanDerWaalsContact C-N 3.32Å; D25-L27 PolarHBondContact O-N 3.22Å
28	L	37.4	Very low	37.5	Very low	142 Å²	142	125.5 Å²	125.5	74%	0.743	74%	0.739	S	S	*	*	S	Bend	trans	-108.2	-2.7	173.9	-106.8	134.8	0	0	0	114.1
29	V	39.4	Very low	36.9	Very low	93 Å²	93	131.6 Å²	131.6	56%	0.564	75%	0.746	S	S	*	*	S	Bend	trans	-96.4	-12.8	177.4	-178.5	0	0	0	0	112.2
30	G	37.2	Very low	36.2	Very low	65 Å²	65	134.2 Å²	134.2	67%	0.67	75%	0.749	S	S	*	*	S	Bend	trans	-83.2	-7.9	-176	0	0	0	0	0	116.8
31	T	34.3	Very low	35.3	Very low	121 Å²	121	130.5 Å²	130.5	74%	0.742	74%	0.743	S	S	*	*	S	Bend	trans	-123.4	6.3	-172.6	36.9	0	0	0	0	115.5
32	L	30.1	Very low	35	Very low	148 Å²	148	129.5 Å²	129.5	78%	0.775	74%	0.739	S	S	*	*	S	Bend	trans	-111.5	5.6	174.4	-87.7	159.1	0	0	0	114.4
33	L	33	Very low	34.2	Very low	161 Å²	161	135.7 Å²	135.7	84%	0.843	75%	0.751	S	S	*	*	S	Bend	trans	-97.1	19	176.9	-85	164.7	0	0	0	114.2
34	A	35.9	Very low	33.7	Very low	89 Å²	89	131 Å²	131	74%	0.736	75%	0.747	S	S	*	*	S	Bend	trans	-133.5	34.7	179.8	0	0	0	0	0	113.5
35	L	31	Very low	33.8	Very low	169 Å²	169	134.4 Å²	134.4	89%	0.885	76%	0.759	S	S	*	*	S	Bend	trans	-143.9	115	163.2	-82.5	172.6	0	0	0	108.9
36	G	41.1	Very low	33.8	Very low	92 Å²	92	133 Å²	133	95%	0.948	77%	0.766	S	S	*	*			trans	-62.3	135	-170.1	0	0	0	0	0	114.1
37	G	26.2	Very low	34.5	Very low	56 Å²	56	125.3 Å²	125.3	58%	0.577	75%	0.75	S	S	*	*			trans	-146.3	118.1	162.4	0	0	0	0	0	107.2	W39	G37-W39 PolarHBondContact O-N 3.07Å; G37-W39 VanDerWaalsContact O-N 3.11Å
38	S	29.8	Very low	36.2	Very low	101 Å²	101	120.2 Å²	120.2	71%	0.706	73%	0.728	S	S	*	*			trans	-50.2	112.7	175	166.4	0	0	0	0	110.5	N40	S38-N40 PolarHBondContact O-N 3.33Å; S38-N40 PolarHBondContact OG-N 3Å; S38-N40 PolarHBondContact OG-OD1 2.84Å
39	W	27.6	Very low	38.5	Very low	244 Å²	244	117.4 Å²	117.4	92%	0.924	71%	0.711	S	S	*	*			trans	-84.9	91	157.8	-76.3	58.1	0	0	0	106.1	G37 V41	G37-W39 PolarHBondContact O-N 3.07Å; G37-W39 VanDerWaalsContact O-N 3.11Å; W39-V41 PolarHBondContact O-N 3.49Å
40	N	26.4	Very low	40.9	Very low	134 Å²	134	114.1 Å²	114.1	72%	0.717	69%	0.689	S	S	*	*			trans	-58.9	93	159.8	-84.9	-20.3	0	0	0	107.3	S38 I42	S38-N40 PolarHBondContact O-N 3.33Å; S38-N40 PolarHBondContact OG-N 3Å; S38-N40 PolarHBondContact OG-OD1 2.84Å; N40-I42 HydrophobicContact CB-CG1 4.42Å; N40-I42 PolarHBondContact O-N 3.19Å
41	V	27.5	Very low	43.4	Very low	126 Å²	126	114.7 Å²	114.7	76%	0.764	68%	0.676	S	S	*	*			trans	-64.8	91.3	150.7	179.6	0	0	0	0	104.4	W39 R43	W39-V41 PolarHBondContact O-N 3.49Å; V41-R43 PolarHBondContact O-N 3.46Å
42	I	29.2	Very low	46.1	Very low	148 Å²	148	111.6 Å²	111.6	76%	0.759	66%	0.659	S	S	*	*			trans	-60.7	95.5	160.1	-60.9	173.3	0	0	0	103.9	N40 A44	N40-I42 HydrophobicContact CB-CG1 4.42Å; N40-I42 PolarHBondContact O-N 3.19Å; I42-A44 PolarHBondContact O-N 3.2Å; I42-A44 VanDerWaalsContact O-N 3.09Å
43	R	29.1	Very low	49	Very low	223 Å²	223	110 Å²	110	84%	0.842	66%	0.66	S	S	*	*			trans	-52.8	116.8	152.6	-96.5	-179.1	174.9	175.8	-1.6	104.1	V41 D45	V41-R43 PolarHBondContact O-N 3.46Å; R43-D45 PolarHBondContact O-N 3.47Å
44	A	33.2	Very low	51.6	Low	93 Å²	93	103.7 Å²	103.7	77%	0.769	63%	0.631	S	S	*	*			trans	-55.7	100.9	158.5	0	0	0	0	0	105.3	I42 G46	I42-A44 PolarHBondContact O-N 3.2Å; I42-A44 VanDerWaalsContact O-N 3.09Å; A44-G46 PolarHBondContact O-N 3.13Å
45	D	39.9	Very low	53.7	Low	163 Å²	163	107.7 Å²	107.7	87%	0.872	64%	0.638	S	S	*	*			trans	-65.4	91.7	163.7	-145.6	15.6	0	0	0	103.5	R43 G47	R43-D45 PolarHBondContact O-N 3.47Å; D45-G47 PolarHBondContact O-N 3.32Å
46	G	42.4	Very low	56.3	Low	64 Å²	64	104.9 Å²	104.9	66%	0.66	63%	0.63	S	S	*	*			trans	-64.5	94	180	0	0	0	0	0	106.6	A44 S48	A44-G46 PolarHBondContact O-N 3.13Å; G46-S48 PolarHBondContact O-N 3.26Å
47	G	56.7	Low	58.5	Low	43 Å²	43	103.7 Å²	103.7	44%	0.443	61%	0.606	S	S	.	*			trans	-48.6	135.4	-178.5	0	0	0	0	0	110.1	D45 E49 Y58	D45-G47 PolarHBondContact O-N 3.32Å; G47-E49 PolarHBondContact O-N 3.22Å; G47-Y58 WeakPolarHBondContact O-CE1 3.45Å; G47-Y58 VanDerWaalsContact O-CZ 3.29Å; G47-Y58 PolarHBondContact O-OH 3.01Å
48	S	73.3	Confident	61.5	Low	50 Å²	50	106.2 Å²	106.2	35%	0.35	60%	0.599	S	S	.	*	S	Bend	trans	-73.4	-13	176.5	58.2	0	0	0	0	113.1	G46 P60 R139	G46-S48 PolarHBondContact O-N 3.26Å; S48-P60 WeakPolarHBondContact O-CB 3.43Å; S48-P60 WeakPolarHBondContact O-CG 3.25Å; S48-R139 WeakPolarHBondContact O-CG 3.48Å; S48-R139 PolarHBondContact OG-NE 2.99Å; S48-R139 PolarHBondContact OG-NH2 3.08Å
49	E	85.7	Confident	64.3	Low	83 Å²	83	104.7 Å²	104.7	39%	0.388	58%	0.582	S	S	.	*	S	Bend	trans	-97.8	152.8	-173.8	-67.5	170	-151.4	0	0	112.2	G47 Y58 E138 R139	G47-E49 PolarHBondContact O-N 3.22Å; E49-Y58 WeakPolarHBondContact O-CD1 3.47Å; E49-Y58 WeakPolarHBondContact O-CE1 3.41Å; E49-E138 HydrophobicContact CB-CB 4.02Å; E49-E138 HydrophobicContact CG-CB 3.88Å; E49-R139 HydrophobicContact CG-CG 4.34Å
50	R	89.2	Confident	67	Low	24 Å²	24	93.4 Å²	93.4	9%	0.091	54%	0.54	C	S	.	.			trans	-61.5	148.4	176.4	70.1	-169.3	175.7	168.1	-0.4	111.9	Y58 L59 P60 E138 M141 D142 W145	R50-Y58 CarbonylContact C-O 3.19Å; R50-Y58 WeakPolarHBondContact CA-O 3.44Å; R50-L59 HydrophobicContact CB-CD2 4.34Å; R50-P60 HydrophobicContact CB-CG 4.37Å; R50-E138 WeakPolarHBondContact CG-O 3.48Å; R50-E138 VanDerWaalsContact CG-OE2 3.24Å; R50-E138 WeakPolarHBondContact CG-OE2 3.5Å; R50-E138 IonicContact CZ-OE1 3.46Å; R50-E138 IonicContact CZ-OE2 3.68Å; R50-E138 PolarHBondContact N-O 3.4Å; R50-E138 IonicContact NE-OE1 2.7Å; R50-E138 IonicContact NE-OE2 3.77Å; R50-E138 PolarHBondContact NE-OE2 3.32Å; R50-E138 IonicContact NH2-OE1 3.37Å; R50-E138 PolarHBondContact NH2-OE1 3.43Å; R50-E138 IonicContact NH2-OE2 3.75Å; R50-E138 PolarHBondContact NH2-OE2 2.82Å; R50-M141 VanDerWaalsContact CD-O 3.26Å; R50-M141 WeakPolarHBondContact CD-O 3.04Å; R50-M141 VanDerWaalsContact NH1-CB 3.29Å; R50-D142 PolarHBondContact NH1-O 2.85Å; R50-W145 PolarHBondContact NH1-O 2.72Å; R50-W145 PolarHBondContact NH2-O 2.9Å
51	N	90.2	Very high	69.8	Low	77 Å²	77	93.1 Å²	93.1	41%	0.412	55%	0.549	S	S	.	.	B	Isolated β-bridge	trans	-128.9	92.7	169.6	-175.4	-9.5	0	0	0	109.5	S53 A54 P57 Y58	N51-S53 VanDerWaalsContact C-N 3.26Å; N51-S53 PolarHBondContact O-N 2.89Å; N51-S53 PolarHBondContact OD1-N 3.43Å; N51-S53 VanDerWaalsContact OD1-N 3.16Å; N51-A54 HydrophobicContact CB-CB 4.3Å; N51-A54 PolarHBondContact O-N 3.17Å; N51-A54 PolarHBondContact OD1-N 2.88Å; N51-P57 WeakPolarHBondContact O-CA 3.49Å; N51-Y58 PolarHBondContact N-O 3.07Å; N51-Y58 PolarHBondContact O-N 3.32Å; N51-Y58 VanDerWaalsContact O-N 3.08Å
52	C	90.9	Very high	72.5	Confident	55 Å²	55	90.6 Å²	90.6	37%	0.372	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-14.4	-178.8	-61.6	0	0	0	0	113.9	C143	C52-C143 WeakPolarHBondContact CA-SG 3.46Å; C52-C143 HydrophobicContact CB-CB 3.75Å; C52-C143 WeakPolarHBondContact CB-SG 3.35Å; C52-C143 WeakPolarHBondContact SG-CA 3.39Å; C52-C143 WeakPolarHBondContact SG-CB 3.42Å; C52-C143 CovalentContact SG-SG 2.04Å; C52-C143 PolarHBondContact SG-SG 3.26Å
53	S	90	Very high	75.5	Confident	114 Å²	114	85.7 Å²	85.7	80%	0.797	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-13.6	175.9	-57.4	0	0	0	0	112.8	N51	N51-S53 VanDerWaalsContact C-N 3.26Å; N51-S53 PolarHBondContact O-N 2.89Å; N51-S53 PolarHBondContact OD1-N 3.43Å; N51-S53 VanDerWaalsContact OD1-N 3.16Å
54	A	87.4	Confident	78.5	Confident	30 Å²	30	77.4 Å²	77.4	25%	0.248	48%	0.483	C	S	.	.	S	Bend	trans	-75.6	155.8	176.4	0	0	0	0	0	111.9	N51 P56 P57	N51-A54 HydrophobicContact CB-CB 4.3Å; N51-A54 PolarHBondContact O-N 3.17Å; N51-A54 PolarHBondContact OD1-N 2.88Å; A54-P56 VanDerWaalsContact C-C 3.46Å; A54-P56 CarbonylContact C-O 3.58Å; A54-P56 CarbonylContact O-C 3.43Å; A54-P57 WeakPolarHBondContact O-CA 3.33Å; A54-P57 WeakPolarHBondContact O-CD 3.44Å
55	I	81.8	Confident	81.5	Confident	172 Å²	172	78.2 Å²	78.2	88%	0.882	47%	0.474	S	S	*	.	S	Bend	trans	-126.6	106.7	178.3	-57.2	175.8	0	0	0	109
56	P	84.9	Confident	84.2	Confident	111 Å²	111	70.4 Å²	70.4	72%	0.721	43%	0.432	S	S	*	.	S	Bend	cis	-68.4	157.7	-6.5	31.7	-35.4	0	0	0	111.9	A54 Y58	A54-P56 VanDerWaalsContact C-C 3.46Å; A54-P56 CarbonylContact C-O 3.58Å; A54-P56 CarbonylContact O-C 3.43Å; P56-Y58 PolarHBondContact O-N 3.4Å
57	P	88	Confident	86.8	Confident	66 Å²	66	70.4 Å²	70.4	43%	0.429	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-53.7	138.5	173.9	-29	36.4	0	0	0	111.6	N51 A54	N51-P57 WeakPolarHBondContact O-CA 3.49Å; A54-P57 WeakPolarHBondContact O-CA 3.33Å; A54-P57 WeakPolarHBondContact O-CD 3.44Å
58	Y	88.7	Confident	88.7	Confident	109 Å²	109	74.8 Å²	74.8	43%	0.427	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-84.6	125.9	168.3	172.4	-101.6	0	0	0	108.9	G47 E49 R50 N51 P56 P60	G47-Y58 WeakPolarHBondContact O-CE1 3.45Å; G47-Y58 VanDerWaalsContact O-CZ 3.29Å; G47-Y58 PolarHBondContact O-OH 3.01Å; E49-Y58 WeakPolarHBondContact O-CD1 3.47Å; E49-Y58 WeakPolarHBondContact O-CE1 3.41Å; R50-Y58 CarbonylContact C-O 3.19Å; R50-Y58 WeakPolarHBondContact CA-O 3.44Å; N51-Y58 PolarHBondContact N-O 3.07Å; N51-Y58 PolarHBondContact O-N 3.32Å; N51-Y58 VanDerWaalsContact O-N 3.08Å; P56-Y58 PolarHBondContact O-N 3.4Å; Y58-P60 HydrophobicContact CE1-CG 4.34Å
59	L	88.4	Confident	89.9	Confident	69 Å²	69	75.9 Å²	75.9	36%	0.361	43%	0.429	S	S	.	.			trans	-124.4	126	179.9	-63.5	171.4	0	0	0	109.4	R50 M63	R50-L59 HydrophobicContact CB-CD2 4.34Å; L59-M63 HydrophobicContact CB-CE 3.83Å; L59-M63 HydrophobicContact CD1-CE 3.72Å; L59-M63 HydrophobicContact CD2-CG 4.39Å; L59-M63 HydrophobicContact CG-CE 4.23Å
60	P	84.5	Confident	90.5	Very high	7 Å²	7	72 Å²	72	5%	0.045	41%	0.411	C	S	.	.			trans	-63.8	154.7	178.5	-24	36.5	0	0	0	111.9	S48 R50 Y58 T62 M63	S48-P60 WeakPolarHBondContact O-CB 3.43Å; S48-P60 WeakPolarHBondContact O-CG 3.25Å; R50-P60 HydrophobicContact CB-CG 4.37Å; Y58-P60 HydrophobicContact CE1-CG 4.34Å; P60-T62 PolarHBondContact O-N 3.04Å; P60-T62 VanDerWaalsContact O-N 3.14Å; P60-M63 WeakPolarHBondContact O-CB 3.48Å; P60-M63 PolarHBondContact O-N 3.47Å
61	S	84.9	Confident	90.9	Very high	129 Å²	129	75.7 Å²	75.7	90%	0.902	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.9	177	58.1	0	0	0	0	113.8	M63	S61-M63 VanDerWaalsContact C-N 3.33Å
62	T	84.5	Confident	91.3	Very high	73 Å²	73	73.6 Å²	73.6	45%	0.448	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.1	176.2	45.5	0	0	0	0	113.5	P60 R139	P60-T62 PolarHBondContact O-N 3.04Å; P60-T62 VanDerWaalsContact O-N 3.14Å; T62-R139 CarbonylContact C-O 3.57Å; T62-R139 PolarHBondContact OG1-O 3.25Å
63	M	91.1	Very high	91.7	Very high	44 Å²	44	71 Å²	71	22%	0.217	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-71.4	139.4	-179.1	174.9	-80.6	-53	0	0	111.9	L59 P60 S61 N65 R139 Q140 M141 D142	L59-M63 HydrophobicContact CB-CE 3.83Å; L59-M63 HydrophobicContact CD1-CE 3.72Å; L59-M63 HydrophobicContact CD2-CG 4.39Å; L59-M63 HydrophobicContact CG-CE 4.23Å; P60-M63 WeakPolarHBondContact O-CB 3.48Å; P60-M63 PolarHBondContact O-N 3.47Å; S61-M63 VanDerWaalsContact C-N 3.33Å; M63-N65 HydrophobicContact SD-CB 4.34Å; M63-N65 PolarHBondContact SD-N 3.41Å; M63-N65 VanDerWaalsContact SD-N 3.44Å; M63-R139 PolarHBondContact N-O 2.77Å; M63-Q140 WeakPolarHBondContact CA-O 3.49Å; M63-M141 WeakPolarHBondContact CG-O 3.17Å; M63-D142 HydrophobicContact CG-CB 3.8Å; M63-D142 HydrophobicContact SD-CB 3.49Å; M63-D142 WeakPolarHBondContact SD-CB 3.4Å
64	V	92.7	Very high	92.1	Very high	50 Å²	50	68.2 Å²	68.2	30%	0.303	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-103.6	126	172.2	-176.6	0	0	0	0	109.7	T66 Q140	V64-T66 HydrophobicContact CG1-CG2 4.5Å; V64-T66 WeakPolarHBondContact O-CG2 3.4Å; V64-T66 PolarHBondContact O-N 2.99Å; V64-Q140 PolarHBondContact N-O 2.95Å; V64-Q140 VanDerWaalsContact N-O 3.08Å
65	N	95.4	Very high	92.6	Very high	109 Å²	109	72.4 Å²	72.4	58%	0.583	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-76.9	119.5	174.7	-175.5	-29.9	0	0	0	110.2	M63 T67	M63-N65 HydrophobicContact SD-CB 4.34Å; M63-N65 PolarHBondContact SD-N 3.41Å; M63-N65 VanDerWaalsContact SD-N 3.44Å; N65-T67 WeakPolarHBondContact OD1-CB 3.25Å; N65-T67 PolarHBondContact OD1-N 3.39Å; N65-T67 VanDerWaalsContact OD1-N 3.07Å; N65-T67 PolarHBondContact OD1-OG1 3.45Å
66	T	97.2	Very high	93.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.354	C	S	.	.			trans	-111.4	2.7	-172.4	66.6	0	0	0	0	113.6	V64 L68 R69 L70 M108 D142 W145	V64-T66 HydrophobicContact CG1-CG2 4.5Å; V64-T66 WeakPolarHBondContact O-CG2 3.4Å; V64-T66 PolarHBondContact O-N 2.99Å; T66-L68 PolarHBondContact O-N 2.76Å; T66-R69 WeakPolarHBondContact O-CB 2.99Å; T66-R69 PolarHBondContact O-N 3.49Å; T66-L70 PolarHBondContact O-N 3Å; T66-M108 WeakPolarHBondContact CB-O 3.32Å; T66-M108 WeakPolarHBondContact CG2-O 3.35Å; T66-D142 PolarHBondContact N-OD2 3.36Å; T66-D142 PolarHBondContact OG1-OD1 2.81Å; T66-D142 PolarHBondContact OG1-OD2 3.03Å; T66-W145 PolarHBondContact OG1-NE1 2.99Å
67	T	97.3	Very high	93.9	Very high	64 Å²	64	59.6 Å²	59.6	39%	0.393	32%	0.32	S	S	.	.	H	α-helix	trans	-53	-48.3	-174.1	-65.1	0	0	0	0	112.9	N65 L70 Q71 N144	N65-T67 WeakPolarHBondContact OD1-CB 3.25Å; N65-T67 PolarHBondContact OD1-N 3.39Å; N65-T67 VanDerWaalsContact OD1-N 3.07Å; N65-T67 PolarHBondContact OD1-OG1 3.45Å; T67-L70 PolarHBondContact O-N 2.81Å; T67-Q71 PolarHBondContact O-N 3.15Å; T67-N144 PolarHBondContact OG1-ND2 3.1Å
68	L	97.4	Very high	94.3	Very high	135 Å²	135	60 Å²	60	71%	0.707	32%	0.324	S	S	*	.	H	α-helix	trans	-69.8	-33.1	179.9	-65.5	178.5	0	0	0	112.6	T66 Q71 A72	T66-L68 PolarHBondContact O-N 2.76Å; L68-Q71 PolarHBondContact O-N 3.08Å; L68-A72 WeakPolarHBondContact O-CB 3.36Å; L68-A72 PolarHBondContact O-N 3.06Å
69	R	97.6	Very high	94.6	Very high	73 Å²	73	58.9 Å²	58.9	28%	0.275	33%	0.332	S	S	.	.	H	α-helix	trans	-65.6	-45.4	177.1	-62	179.7	179.5	163.8	0	110.6	T66 A72 L73 F107 M108	T66-R69 WeakPolarHBondContact O-CB 2.99Å; T66-R69 PolarHBondContact O-N 3.49Å; R69-A72 PolarHBondContact O-N 3.45Å; R69-L73 WeakPolarHBondContact O-CB 3.4Å; R69-L73 PolarHBondContact O-N 3.44Å; R69-F107 VanDerWaalsContact CD-O 3.23Å; R69-F107 WeakPolarHBondContact CD-O 3Å; R69-F107 HydrophobicContact CG-CE1 4.3Å; R69-F107 HydrophobicContact CG-CZ 3.95Å; R69-F107 PolarHBondContact NH1-O 2.96Å; R69-M108 HydrophobicContact CB-CE 4.01Å; R69-M108 HydrophobicContact CB-SD 4.27Å
70	L	98.4	Very high	95	Very high	2 Å²	2	57 Å²	57	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-42	176.2	-77.1	171.6	0	0	0	112.4	T66 T67 L73 R74 M108 V120 A125 N144 W145	T66-L70 PolarHBondContact O-N 3Å; T67-L70 PolarHBondContact O-N 2.81Å; L70-L73 PolarHBondContact O-N 2.04Å; L70-R74 WeakPolarHBondContact O-CB 3.34Å; L70-R74 WeakPolarHBondContact O-CD 3.22Å; L70-R74 VanDerWaalsContact O-CG 3.25Å; L70-R74 WeakPolarHBondContact O-CG 3.38Å; L70-R74 PolarHBondContact O-N 3.24Å; L70-M108 HydrophobicContact CD2-CE 4.16Å; L70-V120 HydrophobicContact CD2-CB 4.5Å; L70-V120 HydrophobicContact CD2-CG1 3.85Å; L70-V120 HydrophobicContact CD2-CG2 3.76Å; L70-A125 HydrophobicContact CD1-CB 4.11Å; L70-A125 HydrophobicContact CD2-CB 3.78Å; L70-N144 HydrophobicContact CD1-CB 3.43Å; L70-N144 VanDerWaalsContact CD1-CB 3.43Å; L70-W145 HydrophobicContact CD2-CH2 4.33Å; L70-W145 HydrophobicContact CD2-CZ2 3.73Å; L70-W145 HydrophobicContact CG-CZ2 4.36Å
71	Q	98.1	Very high	95.4	Very high	100 Å²	100	62.2 Å²	62.2	47%	0.467	35%	0.351	S	S	.	.	H	α-helix	trans	-59	-51.9	175.8	-176.3	-176.2	-19.7	0	0	111	T67 L68 L73 R74 E75	T67-Q71 PolarHBondContact O-N 3.15Å; L68-Q71 PolarHBondContact O-N 3.08Å; Q71-L73 VanDerWaalsContact C-N 3.32Å; Q71-L73 PolarHBondContact O-N 3.21Å; Q71-R74 PolarHBondContact O-N 3.3Å; Q71-E75 PolarHBondContact NE2-OE1 2.82Å; Q71-E75 VanDerWaalsContact NE2-OE1 3.08Å; Q71-E75 WeakPolarHBondContact O-CG 3.44Å; Q71-E75 PolarHBondContact O-N 3.2Å; Q71-E75 VanDerWaalsContact O-N 3.07Å
72	A	98.2	Very high	96	Very high	33 Å²	33	56.2 Å²	56.2	27%	0.273	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-39.8	-180	0	0	0	0	0	112.1	L68 R69 E75 A76 V207	L68-A72 WeakPolarHBondContact O-CB 3.36Å; L68-A72 PolarHBondContact O-N 3.06Å; R69-A72 PolarHBondContact O-N 3.45Å; A72-E75 PolarHBondContact O-N 3.08Å; A72-A76 PolarHBondContact O-N 3.4Å; A72-V207 HydrophobicContact CB-CB 3.95Å; A72-V207 HydrophobicContact CB-CG1 3.62Å
73	L	98.5	Very high	96.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-41.9	177.4	179.9	63.5	0	0	0	111.4	R69 L70 Q71 E75 A76 M77 Y85 I87 M108 V120 L203 V204	R69-L73 WeakPolarHBondContact O-CB 3.4Å; R69-L73 PolarHBondContact O-N 3.44Å; L70-L73 PolarHBondContact O-N 2.04Å; Q71-L73 VanDerWaalsContact C-N 3.32Å; Q71-L73 PolarHBondContact O-N 3.21Å; L73-E75 VanDerWaalsContact C-N 3.33Å; L73-E75 PolarHBondContact O-N 3.38Å; L73-A76 CarbonylContact O-C 3.59Å; L73-A76 WeakPolarHBondContact O-CB 3.33Å; L73-A76 PolarHBondContact O-N 2.69Å; L73-A76 VanDerWaalsContact O-N 3.15Å; L73-M77 HydrophobicContact CG-CG 4.4Å; L73-M77 HydrophobicContact CG-SD 4.1Å; L73-M77 VanDerWaalsContact O-CG 3.25Å; L73-M77 WeakPolarHBondContact O-CG 3.28Å; L73-M77 PolarHBondContact O-N 3.46Å; L73-Y85 HydrophobicContact CD1-CD1 4.35Å; L73-I87 HydrophobicContact CD2-CD1 3.88Å; L73-M108 HydrophobicContact CB-CE 3.98Å; L73-M108 HydrophobicContact CD2-CE 3.56Å; L73-M108 HydrophobicContact CD2-SD 4.29Å; L73-M108 HydrophobicContact CG-CE 4.38Å; L73-V120 HydrophobicContact CD2-CB 4.03Å; L73-V120 HydrophobicContact CD2-CG1 4.13Å; L73-V120 HydrophobicContact CD2-CG2 3.91Å; L73-L203 HydrophobicContact CD1-CB 3.72Å; L73-V204 HydrophobicContact CD1-CG2 4.48Å
74	R	98.4	Very high	96.9	Very high	56 Å²	56	51.4 Å²	51.4	21%	0.211	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-36	177.7	-72.2	167.1	174.9	159.5	1.2	112.5	L70 Q71 M77 S78 V120 T121 L122 N123 K124	L70-R74 WeakPolarHBondContact O-CB 3.34Å; L70-R74 WeakPolarHBondContact O-CD 3.22Å; L70-R74 VanDerWaalsContact O-CG 3.25Å; L70-R74 WeakPolarHBondContact O-CG 3.38Å; L70-R74 PolarHBondContact O-N 3.24Å; Q71-R74 PolarHBondContact O-N 3.3Å; R74-M77 HydrophobicContact CG-SD 4.46Å; R74-M77 PolarHBondContact O-N 3.18Å; R74-S78 WeakPolarHBondContact O-CB 3.31Å; R74-S78 PolarHBondContact O-N 2.89Å; R74-S78 PolarHBondContact O-OG 3.16Å; R74-V120 HydrophobicContact CG-CG1 4.25Å; R74-T121 PolarHBondContact NE-O 3.19Å; R74-L122 WeakPolarHBondContact CD-O 3.38Å; R74-L122 PolarHBondContact NE-O 3.43Å; R74-N123 PolarHBondContact NH2-O 2.94Å; R74-K124 PolarHBondContact NH2-O 3.4Å
75	E	97.7	Very high	97.2	Very high	119 Å²	119	49.1 Å²	49.1	56%	0.556	27%	0.269	S	S	*	.	H	α-helix	trans	-63.3	-44.6	171	-69.7	172	-165.4	0	0	110.8	Q71 A72 L73 S78 S79	Q71-E75 PolarHBondContact NE2-OE1 2.82Å; Q71-E75 VanDerWaalsContact NE2-OE1 3.08Å; Q71-E75 WeakPolarHBondContact O-CG 3.44Å; Q71-E75 PolarHBondContact O-N 3.2Å; Q71-E75 VanDerWaalsContact O-N 3.07Å; A72-E75 PolarHBondContact O-N 3.08Å; L73-E75 VanDerWaalsContact C-N 3.33Å; L73-E75 PolarHBondContact O-N 3.38Å; E75-S78 PolarHBondContact O-N 2.92Å; E75-S79 PolarHBondContact O-N 2.93Å
76	A	97.8	Very high	97.4	Very high	13 Å²	13	44 Å²	44	11%	0.107	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-41.8	175.4	0	0	0	0	0	112.6	A72 L73 S78 S79 V207	A72-A76 PolarHBondContact O-N 3.4Å; L73-A76 CarbonylContact O-C 3.59Å; L73-A76 WeakPolarHBondContact O-CB 3.33Å; L73-A76 PolarHBondContact O-N 2.69Å; L73-A76 VanDerWaalsContact O-N 3.15Å; A76-S78 PolarHBondContact O-N 2.75Å; A76-S79 WeakPolarHBondContact O-CB 3.45Å; A76-S79 PolarHBondContact O-N 3.07Å; A76-S79 PolarHBondContact O-OG 3.19Å; A76-V207 HydrophobicContact CB-CG1 4.49Å
77	M	97.9	Very high	97.4	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.5	-44.8	174.6	-72	166.1	59.3	0	0	111.9	L73 R74 S79 V80 N81 V82 V120 L122 L203	L73-M77 HydrophobicContact CG-CG 4.4Å; L73-M77 HydrophobicContact CG-SD 4.1Å; L73-M77 VanDerWaalsContact O-CG 3.25Å; L73-M77 WeakPolarHBondContact O-CG 3.28Å; L73-M77 PolarHBondContact O-N 3.46Å; R74-M77 HydrophobicContact CG-SD 4.46Å; R74-M77 PolarHBondContact O-N 3.18Å; M77-S79 VanDerWaalsContact C-N 3.26Å; M77-S79 PolarHBondContact O-N 3.04Å; M77-V80 CarbonylContact O-C 3.58Å; M77-V80 WeakPolarHBondContact O-CG2 3.18Å; M77-V80 PolarHBondContact O-N 3.41Å; M77-V80 VanDerWaalsContact O-N 3.13Å; M77-N81 PolarHBondContact O-N 3.22Å; M77-V82 HydrophobicContact CB-CG2 3.78Å; M77-V82 HydrophobicContact CG-CG2 4.01Å; M77-V82 PolarHBondContact O-N 3.16Å; M77-V120 WeakPolarHBondContact CE-O 3.39Å; M77-V120 HydrophobicContact SD-CB 4.48Å; M77-V120 HydrophobicContact SD-CG1 4.12Å; M77-L122 HydrophobicContact CE-CD2 4.26Å; M77-L203 HydrophobicContact CG-CD1 3.92Å
78	S	95.5	Very high	97.4	Very high	74 Å²	74	41.8 Å²	41.8	52%	0.517	23%	0.228	S	C	.	.	H	α-helix	trans	-60.4	-37.1	178.5	-59.2	0	0	0	0	111.7	R74 E75 A76 V80 N81	R74-S78 WeakPolarHBondContact O-CB 3.31Å; R74-S78 PolarHBondContact O-N 2.89Å; R74-S78 PolarHBondContact O-OG 3.16Å; E75-S78 PolarHBondContact O-N 2.92Å; A76-S78 PolarHBondContact O-N 2.75Å; S78-V80 PolarHBondContact O-N 3.22Å; S78-N81 PolarHBondContact O-N 2.75Å
79	S	95.7	Very high	97.3	Very high	86 Å²	86	36.5 Å²	36.5	60%	0.601	21%	0.206	S	C	*	.	H	α-helix	trans	-63.8	-21.7	178.7	79.5	0	0	0	0	114.4	E75 A76 M77	E75-S79 PolarHBondContact O-N 2.93Å; A76-S79 WeakPolarHBondContact O-CB 3.45Å; A76-S79 PolarHBondContact O-N 3.07Å; A76-S79 PolarHBondContact O-OG 3.19Å; M77-S79 VanDerWaalsContact C-N 3.26Å; M77-S79 PolarHBondContact O-N 3.04Å
80	V	95.9	Very high	97.2	Very high	30 Å²	30	34 Å²	34	18%	0.182	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	13	179.9	-61.7	0	0	0	0	112.6	M77 S78 V82 K197 I199 L203	M77-V80 CarbonylContact O-C 3.58Å; M77-V80 WeakPolarHBondContact O-CG2 3.18Å; M77-V80 PolarHBondContact O-N 3.41Å; M77-V80 VanDerWaalsContact O-N 3.13Å; S78-V80 PolarHBondContact O-N 3.22Å; V80-V82 HydrophobicContact CG2-CG1 4.36Å; V80-V82 HydrophobicContact CG2-CG2 3.93Å; V80-K197 PolarHBondContact O-NZ 3.26Å; V80-I199 HydrophobicContact CB-CD1 4.47Å; V80-I199 HydrophobicContact CG2-CD1 3.85Å; V80-L203 HydrophobicContact CG2-CD1 3.95Å; V80-L203 HydrophobicContact CG2-CD2 4.27Å
81	N	94.4	Very high	97.2	Very high	116 Å²	116	34 Å²	34	62%	0.62	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	52.2	176.1	-164.2	48.3	0	0	0	113.4	M77 S78	M77-N81 PolarHBondContact O-N 3.22Å; S78-N81 PolarHBondContact O-N 2.75Å
82	V	96.9	Very high	97.1	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.018	18%	0.182	C	C	.	.			trans	-121.9	141.3	170.1	-59.8	0	0	0	0	110.7	M77 V80 N169 K197 I199 L203	M77-V82 HydrophobicContact CB-CG2 3.78Å; M77-V82 HydrophobicContact CG-CG2 4.01Å; M77-V82 PolarHBondContact O-N 3.16Å; V80-V82 HydrophobicContact CG2-CG1 4.36Å; V80-V82 HydrophobicContact CG2-CG2 3.93Å; V82-N169 CarbonylContact C-O 3.47Å; V82-N169 WeakPolarHBondContact CA-O 3.29Å; V82-N169 WeakPolarHBondContact CB-O 3.24Å; V82-N169 HydrophobicContact CG1-CB 4.15Å; V82-K197 HydrophobicContact CG1-CB 4.33Å; V82-K197 HydrophobicContact CG1-CD 3.78Å; V82-I199 HydrophobicContact CG1-CD1 3.83Å; V82-L203 HydrophobicContact CG2-CD1 4.48Å
83	S	96.4	Very high	97.1	Very high	17 Å²	17	28.3 Å²	28.3	12%	0.119	17%	0.169	C	C	.	.	S	Bend	trans	-100.1	-17	-175.5	-51.1	0	0	0	0	112.3	T121 L122 D168 N169	S83-T121 VanDerWaalsContact O-CA 3.31Å; S83-T121 WeakPolarHBondContact O-CA 3.42Å; S83-L122 PolarHBondContact O-N 2.97Å; S83-D168 WeakPolarHBondContact CB-OD2 3.06Å; S83-D168 WeakPolarHBondContact OG-CB 3.26Å; S83-D168 PolarHBondContact OG-OD1 3.15Å; S83-D168 PolarHBondContact OG-OD2 3.31Å; S83-N169 PolarHBondContact N-O 3.22Å
84	A	98.2	Very high	96.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154.7	168.8	0	0	0	0	0	111.2	V120 T121 L160 V164 I170 G171	A84-V120 CarbonylContact C-O 3.37Å; A84-V120 VanDerWaalsContact CA-O 3.22Å; A84-V120 WeakPolarHBondContact CA-O 3.38Å; A84-T121 HydrophobicContact CB-CG2 4.04Å; A84-L160 HydrophobicContact CB-CD2 3.53Å; A84-V164 HydrophobicContact CB-CG1 4.14Å; A84-I170 HydrophobicContact CB-CG1 4.32Å; A84-I170 HydrophobicContact CB-CG2 4.27Å; A84-G171 PolarHBondContact O-N 3.31Å
85	Y	98.7	Very high	96.7	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.6	175.1	-165.8	-113.7	0	0	0	111	L73 I87 V119 V120 G171 I199 L203 V204	L73-Y85 HydrophobicContact CD1-CD1 4.35Å; Y85-I87 HydrophobicContact CD1-CD1 4.07Å; Y85-I87 HydrophobicContact CD1-CG1 3.58Å; Y85-I87 HydrophobicContact CE1-CG1 3.85Å; Y85-V119 WeakPolarHBondContact O-CA 3.44Å; Y85-V120 PolarHBondContact N-O 3.03Å; Y85-V120 PolarHBondContact O-N 3.23Å; Y85-G171 WeakPolarHBondContact CA-O 3.39Å; Y85-G171 VanDerWaalsContact CD2-C 3.46Å; Y85-G171 VanDerWaalsContact CD2-O 3.31Å; Y85-G171 WeakPolarHBondContact CD2-O 3.46Å; Y85-I199 HydrophobicContact CE2-CD1 4.47Å; Y85-L203 HydrophobicContact CD1-CB 4.42Å; Y85-L203 HydrophobicContact CD2-CD1 3.77Å; Y85-L203 HydrophobicContact CD2-CG 4.37Å; Y85-L203 HydrophobicContact CE1-CB 3.94Å; Y85-L203 HydrophobicContact CE1-CG 4.39Å; Y85-L203 HydrophobicContact CE2-CB 4.36Å; Y85-L203 HydrophobicContact CE2-CD1 3.81Å; Y85-L203 HydrophobicContact CE2-CG 3.91Å; Y85-L203 HydrophobicContact CG-CD1 4.18Å; Y85-L203 PolarHBondContact OH-N 3.03Å; Y85-V204 HydrophobicContact CE1-CG2 4.3Å
86	I	98.8	Very high	96.2	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.5	-178.7	-55	170.1	0	0	0	109.6	T117 V119 L160 I170 G171 F177 Y185 L196	I86-T117 HydrophobicContact CG2-CG2 3.67Å; I86-V119 HydrophobicContact CG1-CG1 4.49Å; I86-V119 HydrophobicContact CG1-CG2 4.31Å; I86-V119 HydrophobicContact CG2-CG2 4.43Å; I86-L160 HydrophobicContact CD1-CD1 4.25Å; I86-I170 HydrophobicContact CD1-CG2 3.77Å; I86-I170 HydrophobicContact CG1-CG2 3.99Å; I86-G171 PolarHBondContact N-O 3.25Å; I86-F177 HydrophobicContact CB-CE1 4.47Å; I86-F177 HydrophobicContact CB-CZ 4.05Å; I86-F177 HydrophobicContact CD1-CZ 4.11Å; I86-F177 HydrophobicContact CG2-CE1 4.17Å; I86-F177 HydrophobicContact CG2-CZ 3.81Å; I86-Y185 HydrophobicContact CD1-CD1 4.18Å; I86-Y185 HydrophobicContact CD1-CE1 3.88Å; I86-Y185 HydrophobicContact CD1-CE2 4.45Å; I86-L196 HydrophobicContact CD1-CD2 4.22Å
87	I	98.4	Very high	95.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	89.5	-176.2	-53.6	158.4	0	0	0	108.5	L73 Y85 R104 M105 M108 A118 V120 V204	L73-I87 HydrophobicContact CD2-CD1 3.88Å; Y85-I87 HydrophobicContact CD1-CD1 4.07Å; Y85-I87 HydrophobicContact CD1-CG1 3.58Å; Y85-I87 HydrophobicContact CE1-CG1 3.85Å; I87-R104 HydrophobicContact CG2-CB 4.11Å; I87-M105 HydrophobicContact CG2-CB 4.35Å; I87-M108 HydrophobicContact CD1-CB 4.42Å; I87-M108 HydrophobicContact CD1-CG 4.02Å; I87-A118 HydrophobicContact CB-CB 4.2Å; I87-A118 PolarHBondContact N-O 3.15Å; I87-A118 PolarHBondContact O-N 3.35Å; I87-V120 HydrophobicContact CD1-CG2 4.29Å; I87-V204 HydrophobicContact CD1-CG2 3.79Å; I87-V204 HydrophobicContact CG1-CG2 3.97Å; I87-V204 HydrophobicContact CG2-CG2 4.22Å
88	P	97.1	Very high	95.7	Very high	17 Å²	17	31.8 Å²	31.8	11%	0.11	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	153.8	176	32.1	-35.6	0	0	0	111.5	T90 L176 F177	P88-T90 VanDerWaalsContact C-N 3.26Å; P88-T90 HydrophobicContact CB-CG2 4.28Å; P88-T90 HydrophobicContact CG-CG2 4.14Å; P88-T90 PolarHBondContact O-N 3.02Å; P88-L176 HydrophobicContact CG-CB 3.59Å; P88-L176 HydrophobicContact CG-CD1 4.28Å; P88-L176 WeakPolarHBondContact CG-O 3.42Å; P88-F177 HydrophobicContact CG-CD1 4.35Å; P88-F177 HydrophobicContact CG-CE1 4.13Å
89	G	95.5	Very high	95.7	Very high	24 Å²	24	28.4 Å²	28.4	25%	0.247	16%	0.164	C	C	.	.	S	Bend	trans	-79.5	60.9	172.6	0	0	0	0	0	113.3	G116	G89-G116 PolarHBondContact N-O 3.17Å
90	T	95.8	Very high	95.7	Very high	21 Å²	21	28.2 Å²	28.2	13%	0.129	16%	0.161	C	C	.	.			trans	-145.8	179.9	177.8	-164.3	0	0	0	0	111.8	P88 L94 S95 L176	P88-T90 VanDerWaalsContact C-N 3.26Å; P88-T90 HydrophobicContact CB-CG2 4.28Å; P88-T90 HydrophobicContact CG-CG2 4.14Å; P88-T90 PolarHBondContact O-N 3.02Å; T90-L94 HydrophobicContact CG2-CD2 4.23Å; T90-L94 WeakPolarHBondContact OG1-CA 3.23Å; T90-S95 PolarHBondContact OG1-O 2.72Å; T90-L176 HydrophobicContact CG2-CB 4.04Å; T90-L176 VanDerWaalsContact CG2-O 3.31Å; T90-L176 WeakPolarHBondContact CG2-O 3.3Å
91	D	96.8	Very high	95.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.			trans	-114.1	-176.7	177.2	76.3	2.8	0	0	0	112.6	H93 L94 S95 I98 D102	D91-H93 PolarHBondContact O-N 3.36Å; D91-H93 VanDerWaalsContact O-N 3.11Å; D91-H93 VanDerWaalsContact OD1-C 3.29Å; D91-H93 WeakPolarHBondContact OD1-CA 3.44Å; D91-H93 PolarHBondContact OD1-N 3.42Å; D91-L94 PolarHBondContact O-N 3.31Å; D91-L94 PolarHBondContact OD1-N 3.44Å; D91-S95 VanDerWaalsContact CG-OG 3.26Å; D91-S95 WeakPolarHBondContact OD1-CB 3.22Å; D91-S95 PolarHBondContact OD1-N 2.67Å; D91-S95 PolarHBondContact OD1-OG 3.25Å; D91-S95 VanDerWaalsContact OD1-OG 3.13Å; D91-S95 VanDerWaalsContact OD2-CB 3.22Å; D91-S95 WeakPolarHBondContact OD2-CB 3.47Å; D91-S95 PolarHBondContact OD2-OG 3.04Å; D91-I98 HydrophobicContact CB-CG2 4.09Å; D91-D102 HydrophobicContact CB-CB 3.83Å
92	A	96.9	Very high	95.8	Very high	14 Å²	14	23.5 Å²	23.5	12%	0.116	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-5	-178.7	0	0	0	0	0	114.8	F175 Y280 N347	A92-F175 WeakPolarHBondContact CA-O 3.17Å; A92-F175 HydrophobicContact CB-CB 3.86Å; A92-F175 HydrophobicContact CB-CD1 4.09Å; A92-F175 HydrophobicContact CB-CG 4.26Å; A92-Y280 PolarHBondContact O-OH 2.63Å; A92-N347 PolarHBondContact O-ND2 3.18Å
93	H	97.3	Very high	95.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	7.5	-177.4	-61.7	-81.3	0	0	0	112.3	D91 S95 S255 L257 Y278 S279 Y280 Y321	D91-H93 PolarHBondContact O-N 3.36Å; D91-H93 VanDerWaalsContact O-N 3.11Å; D91-H93 VanDerWaalsContact OD1-C 3.29Å; D91-H93 WeakPolarHBondContact OD1-CA 3.44Å; D91-H93 PolarHBondContact OD1-N 3.42Å; H93-S95 PolarHBondContact O-N 2.79Å; H93-S255 PolarHBondContact ND1-O 3.44Å; H93-L257 HydrophobicContact CB-CD1 4.37Å; H93-L257 HydrophobicContact CB-CD2 3.97Å; H93-L257 HydrophobicContact CB-CG 3.76Å; H93-L257 VanDerWaalsContact CD2-CD2 3.47Å; H93-L257 WeakPolarHBondContact CD2-CD2 3.46Å; H93-L257 VanDerWaalsContact CE1-CD2 3.42Å; H93-L257 WeakPolarHBondContact CE1-CD2 3.49Å; H93-L257 VanDerWaalsContact ND1-CD2 3.29Å; H93-L257 WeakPolarHBondContact ND1-CD2 3.36Å; H93-Y278 AromaticContact CD2-CD1 3.74Å; H93-Y278 AromaticContact NE2-CD1 3.81Å; H93-S279 PolarHBondContact CE1-O 3.41Å; H93-Y280 AromaticContact CE1-CD1 4Å; H93-Y280 AromaticContact CE1-CD2 3.94Å; H93-Y280 AromaticContact CE1-CE1 3.48Å; H93-Y280 VanDerWaalsContact CE1-CE1 3.48Å; H93-Y280 WeakPolarHBondContact CE1-CE1 3.39Å; H93-Y280 AromaticContact CE1-CE2 3.46Å; H93-Y280 VanDerWaalsContact CE1-CE2 3.46Å; H93-Y280 WeakPolarHBondContact CE1-CE2 3.26Å; H93-Y280 AromaticContact CE1-CZ 3.18Å; H93-Y280 PolarHBondContact CE1-OH 2.87Å; H93-Y280 AromaticContact ND1-CE1 3.61Å; H93-Y280 AromaticContact ND1-CZ 3.69Å; H93-Y280 AromaticContact NE2-CE2 3.98Å; H93-Y280 AromaticContact NE2-CZ 3.86Å; H93-Y321 AromaticContact CE1-CE2 3.77Å; H93-Y321 AromaticContact NE2-CE2 3.39Å; H93-Y321 WeakPolarHBondContact NE2-CE2 3.36Å; H93-Y321 AromaticContact NE2-CZ 3.45Å; H93-Y321 PolarHBondContact NE2-OH 2.88Å
94	L	95.4	Very high	95.8	Very high	25 Å²	25	24.4 Å²	24.4	13%	0.131	14%	0.137	C	C	.	.			trans	56.7	35.6	-178.5	-50.4	175.3	0	0	0	111.7	T90 D91 Y345	T90-L94 HydrophobicContact CG2-CD2 4.23Å; T90-L94 WeakPolarHBondContact OG1-CA 3.23Å; D91-L94 PolarHBondContact O-N 3.31Å; D91-L94 PolarHBondContact OD1-N 3.44Å; L94-Y345 HydrophobicContact CB-CD1 4.41Å
95	S	92.9	Very high	95.8	Very high	20 Å²	20	24.8 Å²	24.8	14%	0.14	14%	0.139	C	C	.	.			trans	-66.8	144.2	179.7	-54.2	0	0	0	0	110.8	T90 D91 H93 Y97	T90-S95 PolarHBondContact OG1-O 2.72Å; D91-S95 VanDerWaalsContact CG-OG 3.26Å; D91-S95 WeakPolarHBondContact OD1-CB 3.22Å; D91-S95 PolarHBondContact OD1-N 2.67Å; D91-S95 PolarHBondContact OD1-OG 3.25Å; D91-S95 VanDerWaalsContact OD1-OG 3.13Å; D91-S95 VanDerWaalsContact OD2-CB 3.22Å; D91-S95 WeakPolarHBondContact OD2-CB 3.47Å; D91-S95 PolarHBondContact OD2-OG 3.04Å; H93-S95 PolarHBondContact O-N 2.79Å; S95-Y97 WeakPolarHBondContact CB-O 3.2Å
96	E	87.7	Confident	95.7	Very high	108 Å²	108	25.9 Å²	25.9	51%	0.505	15%	0.148	S	C	.	.	S	Bend	trans	-70.5	-51.4	173.2	176.4	178.3	-164.3	0	0	112	H551	E96-H551 IonicContact OE1-CE1 2.72Å; E96-H551 PolarHBondContact OE1-CE1 2.9Å; E96-H551 VanDerWaalsContact OE1-CE1 3.26Å; E96-H551 IonicContact OE1-CG 2.78Å; E96-H551 IonicContact OE1-ND1 3.78Å; E96-H551 PolarHBondContact OE1-ND1 3.48Å; E96-H551 VanDerWaalsContact OE2-CB 3.26Å; E96-H551 WeakPolarHBondContact OE2-CB 3.2Å; E96-H551 IonicContact OE2-CE1 2.75Å; E96-H551 IonicContact OE2-CG 2.79Å; E96-H551 IonicContact OE2-ND1 3.84Å; E96-H551 PolarHBondContact OE2-ND1 2.85Å
97	Y	91.1	Very high	95.7	Very high	59 Å²	59	26.6 Å²	26.6	23%	0.231	15%	0.151	C	C	.	.	S	Bend	trans	-90.7	134.2	168.9	-63.4	-87.5	0	0	0	108.2	S95 V271 Y273 N274 F434 V550	S95-Y97 WeakPolarHBondContact CB-O 3.2Å; Y97-V271 WeakPolarHBondContact O-CG1 3.28Å; Y97-Y273 HydrophobicContact CD1-CD2 4.32Å; Y97-Y273 HydrophobicContact CE1-CD2 4.48Å; Y97-N274 WeakPolarHBondContact CD2-ND2 3.44Å; Y97-F434 WeakPolarHBondContact OH-CB 3.17Å; Y97-V550 HydrophobicContact CE2-CG1 4.42Å
98	I	94.3	Very high	95.7	Very high	48 Å²	48	26.5 Å²	26.5	25%	0.246	15%	0.151	C	C	.	.			trans	-114.1	148.3	179.6	63.8	176.6	0	0	0	110.8	D91 D102 A103	D91-I98 HydrophobicContact CB-CG2 4.09Å; I98-D102 HydrophobicContact CB-CB 4.36Å; I98-A103 HydrophobicContact CD1-CB 4.16Å
99	A	95.3	Very high	95.7	Very high	3 Å²	3	25.7 Å²	25.7	3%	0.025	15%	0.146	C	C	.	.			trans	-69.8	154.3	172	0	0	0	0	0	110.9	R101 D102 A103 D270 Y278	A99-R101 HydrophobicContact CB-CG 4.02Å; A99-R101 PolarHBondContact O-N 3.22Å; A99-D102 PolarHBondContact O-N 2.86Å; A99-A103 PolarHBondContact O-N 2.75Å; A99-D270 VanDerWaalsContact CB-O 3.29Å; A99-D270 WeakPolarHBondContact CB-O 3.47Å; A99-Y278 WeakPolarHBondContact CB-OH 3.49Å
100	P	95.1	Very high	95.7	Very high	82 Å²	82	24.8 Å²	24.8	53%	0.532	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-52.9	-31.5	177	-29.5	36.1	0	0	0	114.4	D102 A103 W208 P212	P100-D102 VanDerWaalsContact C-N 3.26Å; P100-D102 PolarHBondContact O-N 3.05Å; P100-A103 WeakPolarHBondContact O-CB 3.2Å; P100-A103 PolarHBondContact O-N 3.43Å; P100-W208 VanDerWaalsContact O-CH2 3.25Å; P100-W208 WeakPolarHBondContact O-CH2 3.44Å; P100-P212 HydrophobicContact CB-CB 4.47Å; P100-P212 HydrophobicContact CB-CG 4.21Å
101	R	95.3	Very high	95.7	Very high	41 Å²	41	23.8 Å²	23.8	16%	0.155	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-69.5	-20	176.9	68.9	-179	-67.2	-107.1	6.4	114.6	A99 W208 R211 P212 I214	A99-R101 HydrophobicContact CB-CG 4.02Å; A99-R101 PolarHBondContact O-N 3.22Å; R101-W208 WeakPolarHBondContact O-CZ3 3.29Å; R101-R211 PolarHBondContact O-NE 3.4Å; R101-R211 PolarHBondContact O-NH2 2.94Å; R101-P212 HydrophobicContact CB-CB 4.13Å; R101-P212 WeakPolarHBondContact CB-O 3.22Å; R101-I214 VanDerWaalsContact NE-CG1 3.34Å
102	D	97.1	Very high	95.4	Very high	7 Å²	7	28 Å²	28	4%	0.037	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-101.3	-2.2	179.8	-69.3	-45.1	0	0	0	112.5	D91 I98 A99 P100 R104 R211 Y278	D91-D102 HydrophobicContact CB-CB 3.83Å; I98-D102 HydrophobicContact CB-CB 4.36Å; A99-D102 PolarHBondContact O-N 2.86Å; P100-D102 VanDerWaalsContact C-N 3.26Å; P100-D102 PolarHBondContact O-N 3.05Å; D102-R104 PolarHBondContact O-N 3.2Å; D102-R104 IonicContact OD1-CZ 3.25Å; D102-R104 IonicContact OD1-NH1 3.38Å; D102-R104 PolarHBondContact OD1-NH1 3.4Å; D102-R104 IonicContact OD1-NH2 2.73Å; D102-R211 IonicContact OD1-NH2 2.78Å; D102-R211 PolarHBondContact OD1-NH2 3.23Å; D102-Y278 PolarHBondContact OD2-OH 2.98Å
103	A	97	Very high	95	Very high	23 Å²	23	27.8 Å²	27.8	19%	0.19	16%	0.155	C	C	.	.			trans	-72	49.3	176.9	0	0	0	0	0	113.3	I98 A99 P100 M105 A106 F107	I98-A103 HydrophobicContact CD1-CB 4.16Å; A99-A103 PolarHBondContact O-N 2.75Å; P100-A103 WeakPolarHBondContact O-CB 3.2Å; P100-A103 PolarHBondContact O-N 3.43Å; A103-M105 PolarHBondContact O-N 2.67Å; A103-A106 HydrophobicContact CB-CB 4.19Å; A103-A106 PolarHBondContact O-N 2.7Å; A103-F107 PolarHBondContact O-N 2.93Å
104	R	97.9	Very high	94.5	Very high	16 Å²	16	31.5 Å²	31.5	6%	0.06	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-42	-176.5	-68.2	170.6	179.3	99.1	-11	112.4	I87 D102 F107 M108 N202 V204 D205 W208	I87-R104 HydrophobicContact CG2-CB 4.11Å; D102-R104 PolarHBondContact O-N 3.2Å; D102-R104 IonicContact OD1-CZ 3.25Å; D102-R104 IonicContact OD1-NH1 3.38Å; D102-R104 PolarHBondContact OD1-NH1 3.4Å; D102-R104 IonicContact OD1-NH2 2.73Å; R104-F107 PolarHBondContact O-N 3.06Å; R104-M108 WeakPolarHBondContact O-CB 3.33Å; R104-M108 WeakPolarHBondContact O-CG 3.34Å; R104-M108 PolarHBondContact O-N 3.11Å; R104-N202 WeakPolarHBondContact CD-ND2 3.39Å; R104-V204 HydrophobicContact CB-CB 4.24Å; R104-V204 HydrophobicContact CB-CG1 3.92Å; R104-V204 HydrophobicContact CB-CG2 4.45Å; R104-V204 HydrophobicContact CG-CB 4.28Å; R104-V204 HydrophobicContact CG-CG1 4.09Å; R104-D205 IonicContact CZ-OD1 2.91Å; R104-D205 IonicContact CZ-OD2 3.92Å; R104-D205 IonicContact NE-OD1 2.59Å; R104-D205 PolarHBondContact NE-OD1 3.12Å; R104-D205 IonicContact NE-OD2 2.98Å; R104-D205 IonicContact NH2-OD1 2.69Å; R104-D205 PolarHBondContact NH2-OD1 3.05Å; R104-D205 IonicContact NH2-OD2 2.66Å; R104-D205 PolarHBondContact NH2-OD2 3.24Å; R104-W208 HydrophobicContact CG-CE3 4.4Å; R104-W208 HydrophobicContact CG-CZ3 4.06Å
105	M	97.5	Very high	94.3	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.039	18%	0.183	C	C	.	.	H	α-helix	trans	-58.1	-51.5	173.8	-178.3	-168.6	66.2	0	0	110	I87 A103 F107 M108 T109 F111 G116 A118 L127	I87-M105 HydrophobicContact CG2-CB 4.35Å; A103-M105 PolarHBondContact O-N 2.67Å; M105-F107 VanDerWaalsContact C-N 3.34Å; M105-F107 PolarHBondContact O-N 2.81Å; M105-M108 PolarHBondContact O-N 3.43Å; M105-M108 VanDerWaalsContact O-N 3.1Å; M105-T109 HydrophobicContact CG-CG2 4.3Å; M105-T109 WeakPolarHBondContact O-CG2 3.24Å; M105-T109 PolarHBondContact O-N 2.88Å; M105-T109 PolarHBondContact O-OG1 3.37Å; M105-F111 HydrophobicContact CE-CD1 3.75Å; M105-F111 HydrophobicContact CE-CE1 3.79Å; M105-F111 HydrophobicContact SD-CD1 4.4Å; M105-G116 VanDerWaalsContact SD-O 3.4Å; M105-A118 HydrophobicContact CG-CB 4.11Å; M105-L127 HydrophobicContact CG-CD1 4.14Å; M105-L127 HydrophobicContact SD-CD1 3.67Å
106	A	96.9	Very high	94.4	Very high	24 Å²	24	31.2 Å²	31.2	20%	0.198	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-38.8	179.9	0	0	0	0	0	112.7	A103 M108 G110 F111	A103-A106 HydrophobicContact CB-CB 4.19Å; A103-A106 PolarHBondContact O-N 2.7Å; A106-M108 VanDerWaalsContact C-N 3.35Å; A106-G110 VanDerWaalsContact O-CA 3.26Å; A106-G110 WeakPolarHBondContact O-CA 3.17Å; A106-G110 PolarHBondContact O-N 3.02Å; A106-F111 WeakPolarHBondContact CA-O 3.42Å; A106-F111 WeakPolarHBondContact CB-O 3.49Å
107	F	97.8	Very high	94.9	Very high	16 Å²	16	27.4 Å²	27.4	7%	0.07	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-44.3	172	169.8	-98.4	0	0	0	111.7	R69 A103 R104 M105 V204 V207 W208	R69-F107 VanDerWaalsContact CD-O 3.23Å; R69-F107 WeakPolarHBondContact CD-O 3Å; R69-F107 HydrophobicContact CG-CE1 4.3Å; R69-F107 HydrophobicContact CG-CZ 3.95Å; R69-F107 PolarHBondContact NH1-O 2.96Å; A103-F107 PolarHBondContact O-N 2.93Å; R104-F107 PolarHBondContact O-N 3.06Å; M105-F107 VanDerWaalsContact C-N 3.34Å; M105-F107 PolarHBondContact O-N 2.81Å; F107-V204 HydrophobicContact CD1-CG1 3.67Å; F107-V204 HydrophobicContact CE1-CG1 4.15Å; F107-V207 HydrophobicContact CE1-CG2 4.19Å; F107-W208 HydrophobicContact CB-CD2 4.06Å; F107-W208 HydrophobicContact CB-CE3 4.07Å; F107-W208 HydrophobicContact CB-CH2 3.91Å; F107-W208 HydrophobicContact CB-CZ2 3.92Å; F107-W208 HydrophobicContact CB-CZ3 4Å; F107-W208 HydrophobicContact CD1-CB 4.19Å; F107-W208 HydrophobicContact CD1-CD2 4.04Å; F107-W208 HydrophobicContact CD1-CE3 4.27Å; F107-W208 HydrophobicContact CD1-CG 4.03Å; F107-W208 AromaticContact CD2-CD1 3.48Å; F107-W208 VanDerWaalsContact CD2-CD1 3.48Å; F107-W208 AromaticContact CD2-CD2 3.74Å; F107-W208 HydrophobicContact CD2-CD2 3.74Å; F107-W208 AromaticContact CD2-CE2 3.5Å; F107-W208 AromaticContact CD2-CG 3.72Å; F107-W208 HydrophobicContact CD2-CG 3.72Å; F107-W208 HydrophobicContact CD2-CZ2 4.14Å; F107-W208 AromaticContact CD2-NE1 3.34Å; F107-W208 VanDerWaalsContact CD2-NE1 3.34Å; F107-W208 HydrophobicContact CE1-CB 3.8Å; F107-W208 HydrophobicContact CE1-CD2 4.46Å; F107-W208 AromaticContact CE1-CG 3.96Å; F107-W208 HydrophobicContact CE1-CG 3.96Å; F107-W208 HydrophobicContact CE2-CB 4.19Å; F107-W208 AromaticContact CE2-CD1 3.24Å; F107-W208 HydrophobicContact CE2-CD2 4.17Å; F107-W208 AromaticContact CE2-CG 3.64Å; F107-W208 HydrophobicContact CE2-CG 3.64Å; F107-W208 AromaticContact CE2-NE1 3.57Å; F107-W208 AromaticContact CG-CD2 3.65Å; F107-W208 HydrophobicContact CG-CD2 3.65Å; F107-W208 AromaticContact CG-CE2 3.76Å; F107-W208 HydrophobicContact CG-CE3 4.04Å; F107-W208 AromaticContact CG-CG 3.91Å; F107-W208 HydrophobicContact CG-CG 3.91Å; F107-W208 HydrophobicContact CG-CZ2 4.22Å; F107-W208 HydrophobicContact CG-CZ3 4.47Å; F107-W208 HydrophobicContact CZ-CB 3.8Å; F107-W208 AromaticContact CZ-CD1 3.75Å; F107-W208 AromaticContact CZ-CG 3.77Å; F107-W208 HydrophobicContact CZ-CG 3.77Å
108	M	98.2	Very high	95.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-73.5	-36.4	-177.2	-73.3	-56	-49.4	0	0	113.5	T66 R69 L70 L73 I87 R104 M105 A106 W145 V204 V207	T66-M108 WeakPolarHBondContact CB-O 3.32Å; T66-M108 WeakPolarHBondContact CG2-O 3.35Å; R69-M108 HydrophobicContact CB-CE 4.01Å; R69-M108 HydrophobicContact CB-SD 4.27Å; L70-M108 HydrophobicContact CD2-CE 4.16Å; L73-M108 HydrophobicContact CB-CE 3.98Å; L73-M108 HydrophobicContact CD2-CE 3.56Å; L73-M108 HydrophobicContact CD2-SD 4.29Å; L73-M108 HydrophobicContact CG-CE 4.38Å; I87-M108 HydrophobicContact CD1-CB 4.42Å; I87-M108 HydrophobicContact CD1-CG 4.02Å; R104-M108 WeakPolarHBondContact O-CB 3.33Å; R104-M108 WeakPolarHBondContact O-CG 3.34Å; R104-M108 PolarHBondContact O-N 3.11Å; M105-M108 PolarHBondContact O-N 3.43Å; M105-M108 VanDerWaalsContact O-N 3.1Å; A106-M108 VanDerWaalsContact C-N 3.35Å; M108-W145 HydrophobicContact CB-CH2 4.45Å; M108-W145 HydrophobicContact CB-CZ2 4.18Å; M108-W145 VanDerWaalsContact O-CZ2 3.29Å; M108-W145 WeakPolarHBondContact O-CZ2 3.49Å; M108-W145 PolarHBondContact O-NE1 2.88Å; M108-V204 HydrophobicContact CG-CB 4.42Å; M108-V204 HydrophobicContact CG-CG1 3.72Å; M108-V204 HydrophobicContact CG-CG2 3.8Å; M108-V204 HydrophobicContact SD-CG1 3.95Å; M108-V204 HydrophobicContact SD-CG2 4.32Å; M108-V207 HydrophobicContact SD-CG2 4.25Å
109	T	98	Very high	95.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-101.8	-24.1	-171.4	63	0	0	0	0	114.2	M105 F111 A118 L127 W145	M105-T109 HydrophobicContact CG-CG2 4.3Å; M105-T109 WeakPolarHBondContact O-CG2 3.24Å; M105-T109 PolarHBondContact O-N 2.88Å; M105-T109 PolarHBondContact O-OG1 3.37Å; T109-F111 PolarHBondContact O-N 2.93Å; T109-F111 WeakPolarHBondContact OG1-CB 3.38Å; T109-F111 PolarHBondContact OG1-N 2.88Å; T109-A118 HydrophobicContact CG2-CB 3.8Å; T109-L127 HydrophobicContact CG2-CD1 4.34Å; T109-W145 HydrophobicContact CG2-CD2 3.98Å; T109-W145 HydrophobicContact CG2-CE3 3.85Å; T109-W145 HydrophobicContact CG2-CH2 3.54Å; T109-W145 HydrophobicContact CG2-CZ2 3.65Å; T109-W145 HydrophobicContact CG2-CZ3 3.64Å
110	G	95.6	Very high	95.7	Very high	5 Å²	5	22.2 Å²	22.2	5%	0.052	15%	0.145	C	C	.	.	S	Bend	trans	80.9	-11.7	-164.5	0	0	0	0	0	114.4	A106	A106-G110 VanDerWaalsContact O-CA 3.26Å; A106-G110 WeakPolarHBondContact O-CA 3.17Å; A106-G110 PolarHBondContact O-N 3.02Å
111	F	95.1	Very high	95.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.121	C	C	.	.			trans	-81.8	123.8	-178.6	163.6	-107.5	0	0	0	111.6	M105 A106 T109 A115 L127 T129 Y133 Q136 A137 M141	M105-F111 HydrophobicContact CE-CD1 3.75Å; M105-F111 HydrophobicContact CE-CE1 3.79Å; M105-F111 HydrophobicContact SD-CD1 4.4Å; A106-F111 WeakPolarHBondContact CA-O 3.42Å; A106-F111 WeakPolarHBondContact CB-O 3.49Å; T109-F111 PolarHBondContact O-N 2.93Å; T109-F111 WeakPolarHBondContact OG1-CB 3.38Å; T109-F111 PolarHBondContact OG1-N 2.88Å; F111-A115 WeakPolarHBondContact CE1-O 3.31Å; F111-L127 HydrophobicContact CB-CD2 3.83Å; F111-L127 HydrophobicContact CD1-CD1 4.17Å; F111-L127 HydrophobicContact CD1-CD2 3.38Å; F111-L127 HydrophobicContact CD1-CG 4.39Å; F111-L127 HydrophobicContact CD2-CD2 4.4Å; F111-L127 HydrophobicContact CE1-CD2 3.97Å; F111-L127 HydrophobicContact CG-CD2 3.61Å; F111-T129 HydrophobicContact CE1-CG2 4.46Å; F111-T129 HydrophobicContact CZ-CG2 4.11Å; F111-Y133 HydrophobicContact CE2-CD1 4.29Å; F111-Y133 HydrophobicContact CE2-CG 4.11Å; F111-Y133 HydrophobicContact CZ-CD1 4.21Å; F111-Y133 HydrophobicContact CZ-CD2 4.23Å; F111-Y133 AromaticContact CZ-CG 3.73Å; F111-Y133 HydrophobicContact CZ-CG 3.73Å; F111-Q136 HydrophobicContact CD2-CG 4.24Å; F111-Q136 HydrophobicContact CE2-CB 4.4Å; F111-Q136 HydrophobicContact CE2-CG 4.09Å; F111-A137 HydrophobicContact CD2-CB 3.83Å; F111-A137 HydrophobicContact CE2-CB 4.05Å; F111-A137 HydrophobicContact CG-CB 4.43Å; F111-M141 HydrophobicContact CB-CG 3.99Å; F111-M141 HydrophobicContact CB-SD 4.41Å
112	T	91.9	Very high	95.8	Very high	89 Å²	89	20.5 Å²	20.5	55%	0.546	14%	0.135	S	C	.	.			trans	-106.5	15.7	-172.7	66.7	0	0	0	0	114.1	Q136 Q140	T112-Q136 PolarHBondContact OG1-NE2 2.98Å; T112-Q136 VanDerWaalsContact OG1-NE2 3.08Å; T112-Q140 PolarHBondContact OG1-NE2 2.87Å; T112-Q140 PolarHBondContact OG1-OE1 3.09Å
113	G	88.3	Confident	95.7	Very high	8 Å²	8	25.5 Å²	25.5	8%	0.082	16%	0.161	C	C	.	.			trans	-71.7	154.7	175.3	0	0	0	0	0	111.6	A115	G113-A115 VanDerWaalsContact C-N 3.28Å; G113-A115 PolarHBondContact O-N 2.78Å
114	S	87.1	Confident	95.8	Very high	79 Å²	79	27.6 Å²	27.6	55%	0.552	17%	0.166	S	C	*	.	S	Bend	trans	-75.8	-12.7	-173.3	71.7	0	0	0	0	114.5	Y133	S114-Y133 PolarHBondContact N-OH 2.93Å; S114-Y133 PolarHBondContact OG-OH 3.03Å
115	A	90.8	Very high	95.8	Very high	23 Å²	23	27 Å²	27	19%	0.19	16%	0.164	C	C	.	.	S	Bend	trans	-128.2	131.1	-179.2	0	0	0	0	0	111.3	F111 G113 T129 D130 Y133	F111-A115 WeakPolarHBondContact CE1-O 3.31Å; G113-A115 VanDerWaalsContact C-N 3.28Å; G113-A115 PolarHBondContact O-N 2.78Å; A115-T129 WeakPolarHBondContact O-CB 3.36Å; A115-T129 PolarHBondContact O-OG1 2.92Å; A115-D130 WeakPolarHBondContact CB-OD2 3.45Å; A115-Y133 HydrophobicContact CB-CD2 4.26Å; A115-Y133 HydrophobicContact CB-CE2 3.89Å
116	G	95.1	Very high	95.9	Very high	16 Å²	16	26.6 Å²	26.6	17%	0.165	16%	0.162	C	C	.	.			trans	169.1	167.6	169.7	0	0	0	0	0	113.3	G89 M105 W128	G89-G116 PolarHBondContact N-O 3.17Å; M105-G116 VanDerWaalsContact SD-O 3.4Å; G116-W128 CarbonylContact C-O 3.28Å; G116-W128 WeakPolarHBondContact CA-O 3.46Å
117	T	98.4	Very high	95.9	Very high	29 Å²	29	25.4 Å²	25.4	18%	0.178	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.5	170.5	-62.2	0	0	0	0	108.7	I86 V119 W128 I156	I86-T117 HydrophobicContact CG2-CG2 3.67Å; T117-V119 HydrophobicContact CG2-CG2 4.4Å; T117-W128 PolarHBondContact N-O 3.09Å; T117-W128 PolarHBondContact O-N 2.88Å; T117-I156 HydrophobicContact CG2-CD1 4.02Å
118	A	98.6	Very high	96	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	139.3	173	0	0	0	0	0	110	I87 M105 T109 V126 L127 W145	I87-A118 HydrophobicContact CB-CB 4.2Å; I87-A118 PolarHBondContact N-O 3.15Å; I87-A118 PolarHBondContact O-N 3.35Å; M105-A118 HydrophobicContact CG-CB 4.11Å; T109-A118 HydrophobicContact CG2-CB 3.8Å; A118-V126 CarbonylContact C-O 3.39Å; A118-V126 WeakPolarHBondContact CA-O 3.36Å; A118-L127 HydrophobicContact CB-CD1 4.35Å; A118-W145 HydrophobicContact CB-CH2 3.81Å; A118-W145 HydrophobicContact CB-CZ3 3.65Å
119	V	98.7	Very high	95.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.7	171.6	-173.1	0	0	0	0	109.2	Y85 I86 T117 A125 V126 W128 I156 W159 L160	Y85-V119 WeakPolarHBondContact O-CA 3.44Å; I86-V119 HydrophobicContact CG1-CG1 4.49Å; I86-V119 HydrophobicContact CG1-CG2 4.31Å; I86-V119 HydrophobicContact CG2-CG2 4.43Å; T117-V119 HydrophobicContact CG2-CG2 4.4Å; V119-A125 WeakPolarHBondContact O-CA 3.47Å; V119-V126 PolarHBondContact N-O 3.4Å; V119-V126 PolarHBondContact O-N 2.88Å; V119-W128 HydrophobicContact CB-CH2 4.39Å; V119-W128 HydrophobicContact CB-CZ3 3.74Å; V119-W128 HydrophobicContact CG2-CE3 4.16Å; V119-W128 HydrophobicContact CG2-CH2 4.38Å; V119-W128 HydrophobicContact CG2-CZ3 3.63Å; V119-I156 HydrophobicContact CG2-CG2 3.67Å; V119-W159 HydrophobicContact CB-CZ3 4.19Å; V119-W159 HydrophobicContact CG1-CE3 4.39Å; V119-W159 HydrophobicContact CG1-CZ3 3.7Å; V119-L160 HydrophobicContact CG1-CD2 3.83Å; V119-L160 HydrophobicContact CG1-CG 4.46Å
120	V	98.8	Very high	95.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.9	179.5	179.3	0	0	0	0	108.8	L70 L73 R74 M77 A84 Y85 I87 A125 W145	L70-V120 HydrophobicContact CD2-CB 4.5Å; L70-V120 HydrophobicContact CD2-CG1 3.85Å; L70-V120 HydrophobicContact CD2-CG2 3.76Å; L73-V120 HydrophobicContact CD2-CB 4.03Å; L73-V120 HydrophobicContact CD2-CG1 4.13Å; L73-V120 HydrophobicContact CD2-CG2 3.91Å; R74-V120 HydrophobicContact CG-CG1 4.25Å; M77-V120 WeakPolarHBondContact CE-O 3.39Å; M77-V120 HydrophobicContact SD-CB 4.48Å; M77-V120 HydrophobicContact SD-CG1 4.12Å; A84-V120 CarbonylContact C-O 3.37Å; A84-V120 VanDerWaalsContact CA-O 3.22Å; A84-V120 WeakPolarHBondContact CA-O 3.38Å; Y85-V120 PolarHBondContact N-O 3.03Å; Y85-V120 PolarHBondContact O-N 3.23Å; I87-V120 HydrophobicContact CD1-CG2 4.29Å; V120-A125 HydrophobicContact CG2-CB 4.2Å; V120-W145 HydrophobicContact CG2-CH2 3.56Å; V120-W145 HydrophobicContact CG2-CZ2 4.26Å; V120-W145 HydrophobicContact CG2-CZ3 4.23Å
121	T	98.3	Very high	94.7	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	178.5	166.5	67.5	0	0	0	0	109.6	R74 S83 A84 N123 K124 W159 V164	R74-T121 PolarHBondContact NE-O 3.19Å; S83-T121 VanDerWaalsContact O-CA 3.31Å; S83-T121 WeakPolarHBondContact O-CA 3.42Å; A84-T121 HydrophobicContact CB-CG2 4.04Å; T121-N123 PolarHBondContact O-N 2.89Å; T121-N123 VanDerWaalsContact O-N 3.08Å; T121-N123 PolarHBondContact OG1-N 3.32Å; T121-N123 PolarHBondContact OG1-OD1 2.76Å; T121-K124 PolarHBondContact N-O 3.14Å; T121-K124 PolarHBondContact OG1-N 2.81Å; T121-K124 PolarHBondContact OG1-O 3.08Å; T121-W159 HydrophobicContact CG2-CH2 3.52Å; T121-W159 HydrophobicContact CG2-CZ3 3.74Å; T121-V164 HydrophobicContact CG2-CG1 4.23Å
122	L	95.8	Very high	93.9	Very high	85 Å²	85	35.1 Å²	35.1	45%	0.445	20%	0.202	S	C	.	.	S	Bend	trans	-60.6	-16.9	175.4	-61.5	-179.2	0	0	0	113.8	R74 M77 S83	R74-L122 WeakPolarHBondContact CD-O 3.38Å; R74-L122 PolarHBondContact NE-O 3.43Å; M77-L122 HydrophobicContact CE-CD2 4.26Å; S83-L122 PolarHBondContact O-N 2.97Å
123	N	95	Very high	93.6	Very high	112 Å²	112	31.7 Å²	31.7	60%	0.599	18%	0.18	S	C	*	.	S	Bend	trans	-133.2	-21.8	-175.3	57.3	13.3	0	0	0	115.1	R74 T121	R74-N123 PolarHBondContact NH2-O 2.94Å; T121-N123 PolarHBondContact O-N 2.89Å; T121-N123 VanDerWaalsContact O-N 3.08Å; T121-N123 PolarHBondContact OG1-N 3.32Å; T121-N123 PolarHBondContact OG1-OD1 2.76Å
124	K	97.9	Very high	93.5	Very high	67 Å²	67	35.1 Å²	35.1	29%	0.291	19%	0.19	S	C	.	.			trans	-123.4	164.5	-179.5	-64.8	-174.9	-175.7	175.1	0	112.2	R74 T121 W159 E163	R74-K124 PolarHBondContact NH2-O 3.4Å; T121-K124 PolarHBondContact N-O 3.14Å; T121-K124 PolarHBondContact OG1-N 2.81Å; T121-K124 PolarHBondContact OG1-O 3.08Å; K124-W159 HydrophobicContact CB-CH2 4.38Å; K124-W159 HydrophobicContact CB-CZ2 4.11Å; K124-W159 HydrophobicContact CD-CZ2 4.27Å; K124-E163 VanDerWaalsContact CD-OE2 3.28Å; K124-E163 WeakPolarHBondContact CD-OE2 3.46Å; K124-E163 WeakPolarHBondContact CE-OE2 3.31Å; K124-E163 IonicContact NZ-OE1 3.76Å; K124-E163 PolarHBondContact NZ-OE1 3.17Å; K124-E163 IonicContact NZ-OE2 2.75Å; K124-E163 PolarHBondContact NZ-OE2 3.41Å
125	A	98.5	Very high	93.3	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.017	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	131.6	172.9	0	0	0	0	0	108.7	L70 V119 V120 W145 E146	L70-A125 HydrophobicContact CD1-CB 4.11Å; L70-A125 HydrophobicContact CD2-CB 3.78Å; V119-A125 WeakPolarHBondContact O-CA 3.47Å; V120-A125 HydrophobicContact CG2-CB 4.2Å; A125-W145 HydrophobicContact CB-CD2 3.78Å; A125-W145 HydrophobicContact CB-CE3 3.67Å; A125-W145 HydrophobicContact CB-CG 4.45Å; A125-W145 HydrophobicContact CB-CH2 3.99Å; A125-W145 HydrophobicContact CB-CZ2 4.1Å; A125-W145 HydrophobicContact CB-CZ3 3.77Å; A125-W145 WeakPolarHBondContact O-CA 3.31Å; A125-E146 PolarHBondContact O-N 3.37Å
126	V	98.6	Very high	93	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	138.5	-174	-173.9	0	0	0	0	109.6	A118 V119 W128 E146 E148 W159	A118-V126 CarbonylContact C-O 3.39Å; A118-V126 WeakPolarHBondContact CA-O 3.36Å; V119-V126 PolarHBondContact N-O 3.4Å; V119-V126 PolarHBondContact O-N 2.88Å; V126-W128 HydrophobicContact CB-CE3 4.18Å; V126-W128 HydrophobicContact CB-CH2 3.5Å; V126-W128 HydrophobicContact CB-CZ2 4.4Å; V126-W128 HydrophobicContact CB-CZ3 3.38Å; V126-W128 HydrophobicContact CG1-CD2 4.22Å; V126-W128 HydrophobicContact CG1-CE3 3.84Å; V126-W128 HydrophobicContact CG1-CH2 3.37Å; V126-W128 HydrophobicContact CG1-CZ2 3.8Å; V126-W128 HydrophobicContact CG1-CZ3 3.4Å; V126-W128 VanDerWaalsContact CG1-CZ3 3.4Å; V126-W128 HydrophobicContact CG2-CH2 4.27Å; V126-W128 WeakPolarHBondContact O-CZ3 3.21Å; V126-E146 WeakPolarHBondContact CA-O 3.48Å; V126-E146 HydrophobicContact CG1-CB 4.23Å; V126-E146 HydrophobicContact CG2-CB 4.07Å; V126-E148 HydrophobicContact CG1-CB 4.13Å; V126-E148 HydrophobicContact CG1-CG 3.47Å; V126-E148 VanDerWaalsContact CG1-CG 3.47Å; V126-W159 HydrophobicContact CB-CZ2 4.24Å; V126-W159 HydrophobicContact CG2-CH2 3.94Å; V126-W159 HydrophobicContact CG2-CZ2 3.24Å
127	L	98.6	Very high	92.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.7	173.8	174.5	71.9	0	0	0	109.3	M105 T109 F111 A118 T129 A137 M141 W145 E146 E148	M105-L127 HydrophobicContact CG-CD1 4.14Å; M105-L127 HydrophobicContact SD-CD1 3.67Å; T109-L127 HydrophobicContact CG2-CD1 4.34Å; F111-L127 HydrophobicContact CB-CD2 3.83Å; F111-L127 HydrophobicContact CD1-CD1 4.17Å; F111-L127 HydrophobicContact CD1-CD2 3.38Å; F111-L127 HydrophobicContact CD1-CG 4.39Å; F111-L127 HydrophobicContact CD2-CD2 4.4Å; F111-L127 HydrophobicContact CE1-CD2 3.97Å; F111-L127 HydrophobicContact CG-CD2 3.61Å; A118-L127 HydrophobicContact CB-CD1 4.35Å; L127-T129 HydrophobicContact CD2-CG2 4.37Å; L127-A137 HydrophobicContact CD2-CB 4.23Å; L127-M141 HydrophobicContact CB-CE 4.27Å; L127-M141 HydrophobicContact CB-SD 3.73Å; L127-M141 HydrophobicContact CD2-CE 3.99Å; L127-M141 HydrophobicContact CD2-SD 3.37Å; L127-M141 WeakPolarHBondContact CD2-SD 3.39Å; L127-M141 HydrophobicContact CG-SD 4.18Å; L127-W145 HydrophobicContact CB-CE3 4.33Å; L127-E146 PolarHBondContact N-O 2.84Å; L127-E148 PolarHBondContact O-N 2.83Å
128	W	98.4	Very high	92.5	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.011	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.5	166.9	-73.1	-99.5	0	0	0	109.5	G116 T117 V119 V126 E148 S155 I156 W159	G116-W128 CarbonylContact C-O 3.28Å; G116-W128 WeakPolarHBondContact CA-O 3.46Å; T117-W128 PolarHBondContact N-O 3.09Å; T117-W128 PolarHBondContact O-N 2.88Å; V119-W128 HydrophobicContact CB-CH2 4.39Å; V119-W128 HydrophobicContact CB-CZ3 3.74Å; V119-W128 HydrophobicContact CG2-CE3 4.16Å; V119-W128 HydrophobicContact CG2-CH2 4.38Å; V119-W128 HydrophobicContact CG2-CZ3 3.63Å; V126-W128 HydrophobicContact CB-CE3 4.18Å; V126-W128 HydrophobicContact CB-CH2 3.5Å; V126-W128 HydrophobicContact CB-CZ2 4.4Å; V126-W128 HydrophobicContact CB-CZ3 3.38Å; V126-W128 HydrophobicContact CG1-CD2 4.22Å; V126-W128 HydrophobicContact CG1-CE3 3.84Å; V126-W128 HydrophobicContact CG1-CH2 3.37Å; V126-W128 HydrophobicContact CG1-CZ2 3.8Å; V126-W128 HydrophobicContact CG1-CZ3 3.4Å; V126-W128 VanDerWaalsContact CG1-CZ3 3.4Å; V126-W128 HydrophobicContact CG2-CH2 4.27Å; V126-W128 WeakPolarHBondContact O-CZ3 3.21Å; W128-E148 WeakPolarHBondContact CA-O 3.27Å; W128-E148 HydrophobicContact CD2-CB 3.89Å; W128-E148 HydrophobicContact CD2-CG 4.39Å; W128-E148 HydrophobicContact CG-CB 3.76Å; W128-E148 HydrophobicContact CZ2-CB 4.28Å; W128-E148 HydrophobicContact CZ2-CG 3.92Å; W128-S155 PolarHBondContact NE1-OG 3.43Å; W128-S155 VanDerWaalsContact NE1-OG 3.13Å; W128-I156 HydrophobicContact CB-CD1 4.43Å; W128-I156 HydrophobicContact CD2-CD1 4.31Å; W128-I156 HydrophobicContact CD2-CG1 3.64Å; W128-I156 HydrophobicContact CE3-CG1 4.14Å; W128-I156 HydrophobicContact CG-CD1 4.22Å; W128-I156 HydrophobicContact CG-CG1 3.8Å; W128-I156 HydrophobicContact CZ2-CG1 4.33Å; W128-W159 HydrophobicContact CH2-CB 4.17Å; W128-W159 AromaticContact CH2-CD2 3.63Å; W128-W159 HydrophobicContact CH2-CD2 3.63Å; W128-W159 AromaticContact CH2-CE3 3.76Å; W128-W159 HydrophobicContact CH2-CE3 3.76Å; W128-W159 AromaticContact CH2-CG 3.81Å; W128-W159 HydrophobicContact CH2-CG 3.81Å; W128-W159 HydrophobicContact CH2-CZ3 4.37Å; W128-W159 HydrophobicContact CZ2-CB 3.75Å; W128-W159 HydrophobicContact CZ2-CD2 4.09Å; W128-W159 AromaticContact CZ2-CG 3.74Å; W128-W159 HydrophobicContact CZ2-CG 3.74Å
129	T	95.2	Very high	91.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.195	C	C	.	.			trans	-149.4	157.4	171	-170.3	0	0	0	0	111.4	F111 A115 L127 Y133 W134 A137 L147 E148 V151	F111-T129 HydrophobicContact CE1-CG2 4.46Å; F111-T129 HydrophobicContact CZ-CG2 4.11Å; A115-T129 WeakPolarHBondContact O-CB 3.36Å; A115-T129 PolarHBondContact O-OG1 2.92Å; L127-T129 HydrophobicContact CD2-CG2 4.37Å; T129-Y133 WeakPolarHBondContact OG1-CB 3.25Å; T129-Y133 WeakPolarHBondContact OG1-CD2 3.48Å; T129-W134 PolarHBondContact O-NE1 3.39Å; T129-A137 HydrophobicContact CG2-CB 4.16Å; T129-L147 HydrophobicContact CG2-CD1 3.7Å; T129-E148 PolarHBondContact N-O 2.91Å; T129-V151 WeakPolarHBondContact O-CG1 3.47Å
130	D	88.9	Confident	91.6	Very high	32 Å²	32	41.8 Å²	41.8	17%	0.171	20%	0.203	C	C	.	.			trans	-83.1	174.6	-174.5	66.5	69.6	0	0	0	112.4	A115 R132 Y133 W134 V151	A115-D130 WeakPolarHBondContact CB-OD2 3.45Å; D130-R132 VanDerWaalsContact CG-NE 3.34Å; D130-R132 PolarHBondContact O-N 3.26Å; D130-R132 WeakPolarHBondContact OD1-CB 3.48Å; D130-R132 WeakPolarHBondContact OD1-CG 3.26Å; D130-R132 IonicContact OD1-CZ 3.81Å; D130-R132 PolarHBondContact OD1-N 2.9Å; D130-R132 IonicContact OD1-NE 3.89Å; D130-R132 PolarHBondContact OD1-NE 2.87Å; D130-R132 IonicContact OD1-NH2 2.61Å; D130-R132 IonicContact OD2-CZ 3.36Å; D130-R132 IonicContact OD2-NE 3.68Å; D130-R132 PolarHBondContact OD2-NE 2.78Å; D130-R132 IonicContact OD2-NH2 2.71Å; D130-R132 PolarHBondContact OD2-NH2 3.44Å; D130-Y133 PolarHBondContact O-N 3.04Å; D130-W134 PolarHBondContact O-NE1 2.84Å; D130-V151 HydrophobicContact CB-CG1 4.08Å
131	S	81.6	Confident	91.5	Very high	83 Å²	83	41.8 Å²	41.8	58%	0.58	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.2	-171.8	58.5	0	0	0	0	114.9	Y133	S131-Y133 PolarHBondContact O-N 3.23Å
132	R	78.1	Confident	91.3	Very high	105 Å²	105	41.9 Å²	41.9	40%	0.396	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26	173.7	-60.3	175.2	-72	176.8	2.6	111.8	D130 H448	D130-R132 VanDerWaalsContact CG-NE 3.34Å; D130-R132 PolarHBondContact O-N 3.26Å; D130-R132 WeakPolarHBondContact OD1-CB 3.48Å; D130-R132 WeakPolarHBondContact OD1-CG 3.26Å; D130-R132 IonicContact OD1-CZ 3.81Å; D130-R132 PolarHBondContact OD1-N 2.9Å; D130-R132 IonicContact OD1-NE 3.89Å; D130-R132 PolarHBondContact OD1-NE 2.87Å; D130-R132 IonicContact OD1-NH2 2.61Å; D130-R132 IonicContact OD2-CZ 3.36Å; D130-R132 IonicContact OD2-NE 3.68Å; D130-R132 PolarHBondContact OD2-NE 2.78Å; D130-R132 IonicContact OD2-NH2 2.71Å; D130-R132 PolarHBondContact OD2-NH2 3.44Å; R132-H448 WeakPolarHBondContact CD-CD2 3.33Å; R132-H448 PolarHBondContact NH1-CD2 3.15Å; R132-H448 PolarHBondContact NH1-NE2 2.68Å
133	Y	85.4	Confident	91.4	Very high	17 Å²	17	40.4 Å²	40.4	7%	0.067	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-1.8	-163.4	-65.7	-54.9	0	0	0	115.3	F111 S114 A115 T129 D130 S131 V135 Q136 A137	F111-Y133 HydrophobicContact CE2-CD1 4.29Å; F111-Y133 HydrophobicContact CE2-CG 4.11Å; F111-Y133 HydrophobicContact CZ-CD1 4.21Å; F111-Y133 HydrophobicContact CZ-CD2 4.23Å; F111-Y133 AromaticContact CZ-CG 3.73Å; F111-Y133 HydrophobicContact CZ-CG 3.73Å; S114-Y133 PolarHBondContact N-OH 2.93Å; S114-Y133 PolarHBondContact OG-OH 3.03Å; A115-Y133 HydrophobicContact CB-CD2 4.26Å; A115-Y133 HydrophobicContact CB-CE2 3.89Å; T129-Y133 WeakPolarHBondContact OG1-CB 3.25Å; T129-Y133 WeakPolarHBondContact OG1-CD2 3.48Å; D130-Y133 PolarHBondContact O-N 3.04Å; S131-Y133 PolarHBondContact O-N 3.23Å; Y133-V135 PolarHBondContact O-N 2.96Å; Y133-Q136 WeakPolarHBondContact O-CB 3.34Å; Y133-Q136 PolarHBondContact O-N 3.19Å; Y133-Q136 VanDerWaalsContact O-N 3.13Å; Y133-A137 WeakPolarHBondContact O-CB 3.17Å; Y133-A137 PolarHBondContact O-N 3.45Å
134	W	86.8	Confident	91.5	Very high	81 Å²	81	38 Å²	38	31%	0.307	19%	0.187	S	C	.	.	H	α-helix	trans	-56.3	-49.6	-176.3	-62.9	-20.1	0	0	0	113.4	T129 D130 Q136 A137 E138 L147 K149	T129-W134 PolarHBondContact O-NE1 3.39Å; D130-W134 PolarHBondContact O-NE1 2.84Å; W134-Q136 VanDerWaalsContact C-N 3.32Å; W134-Q136 PolarHBondContact O-N 3.49Å; W134-A137 PolarHBondContact O-N 2.97Å; W134-E138 WeakPolarHBondContact O-CG 3.39Å; W134-E138 PolarHBondContact O-N 2.88Å; W134-L147 HydrophobicContact CB-CD2 4.25Å; W134-K149 HydrophobicContact CD2-CD 3.81Å; W134-K149 HydrophobicContact CD2-CG 3.99Å; W134-K149 HydrophobicContact CE3-CD 4.01Å; W134-K149 HydrophobicContact CG-CD 4.42Å; W134-K149 HydrophobicContact CG-CG 4.3Å; W134-K149 HydrophobicContact CH2-CB 4.44Å; W134-K149 HydrophobicContact CH2-CD 4.1Å; W134-K149 HydrophobicContact CZ2-CB 3.63Å; W134-K149 HydrophobicContact CZ2-CD 3.91Å; W134-K149 HydrophobicContact CZ2-CG 3.93Å; W134-K149 HydrophobicContact CZ3-CD 4.15Å
135	V	81.9	Confident	91.5	Very high	67 Å²	67	35.1 Å²	35.1	41%	0.406	17%	0.174	S	C	.	.	H	α-helix	trans	-64.2	-39.9	178.5	176.3	0	0	0	0	110.8	Y133 R139	Y133-V135 PolarHBondContact O-N 2.96Å; V135-R139 WeakPolarHBondContact O-CB 3.46Å; V135-R139 WeakPolarHBondContact O-CG 3.43Å; V135-R139 PolarHBondContact O-N 2.91Å; V135-R139 VanDerWaalsContact O-N 3.1Å
136	Q	84.8	Confident	91.4	Very high	56 Å²	56	39.6 Å²	39.6	26%	0.262	19%	0.194	S	C	.	.	H	α-helix	trans	-63.5	-43.7	176.7	178.5	178.8	-14.2	0	0	111.4	F111 T112 Y133 W134 R139 Q140	F111-Q136 HydrophobicContact CD2-CG 4.24Å; F111-Q136 HydrophobicContact CE2-CB 4.4Å; F111-Q136 HydrophobicContact CE2-CG 4.09Å; T112-Q136 PolarHBondContact OG1-NE2 2.98Å; T112-Q136 VanDerWaalsContact OG1-NE2 3.08Å; Y133-Q136 WeakPolarHBondContact O-CB 3.34Å; Y133-Q136 PolarHBondContact O-N 3.19Å; Y133-Q136 VanDerWaalsContact O-N 3.13Å; W134-Q136 VanDerWaalsContact C-N 3.32Å; W134-Q136 PolarHBondContact O-N 3.49Å; Q136-R139 WeakPolarHBondContact O-CB 3.48Å; Q136-R139 PolarHBondContact O-N 3.1Å; Q136-R139 VanDerWaalsContact O-N 3.14Å; Q136-Q140 HydrophobicContact CG-CG 4.29Å; Q136-Q140 VanDerWaalsContact CG-OE1 3.26Å; Q136-Q140 VanDerWaalsContact NE2-OE1 3.08Å; Q136-Q140 WeakPolarHBondContact O-CB 3.39Å; Q136-Q140 WeakPolarHBondContact O-CG 3.29Å; Q136-Q140 PolarHBondContact O-N 2.9Å
137	A	91.3	Very high	91.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-45.7	178.8	0	0	0	0	0	111.3	F111 L127 T129 Y133 W134 R139 Q140 M141 L147	F111-A137 HydrophobicContact CD2-CB 3.83Å; F111-A137 HydrophobicContact CE2-CB 4.05Å; F111-A137 HydrophobicContact CG-CB 4.43Å; L127-A137 HydrophobicContact CD2-CB 4.23Å; T129-A137 HydrophobicContact CG2-CB 4.16Å; Y133-A137 WeakPolarHBondContact O-CB 3.17Å; Y133-A137 PolarHBondContact O-N 3.45Å; W134-A137 PolarHBondContact O-N 2.97Å; A137-R139 PolarHBondContact O-N 2.93Å; A137-Q140 PolarHBondContact O-N 2.73Å; A137-M141 HydrophobicContact CB-CE 3.95Å; A137-M141 WeakPolarHBondContact O-CB 3.5Å; A137-M141 WeakPolarHBondContact O-CG 3.36Å; A137-M141 PolarHBondContact O-N 3.37Å; A137-L147 HydrophobicContact CB-CD1 3.91Å; A137-L147 HydrophobicContact CB-CD2 4.16Å
138	E	91.3	Very high	91.3	Very high	39 Å²	39	44 Å²	44	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-22.5	175.2	-70.4	-60.3	144.4	0	0	113.7	E49 R50 W134 L147	E49-E138 HydrophobicContact CB-CB 4.02Å; E49-E138 HydrophobicContact CG-CB 3.88Å; R50-E138 WeakPolarHBondContact CG-O 3.48Å; R50-E138 VanDerWaalsContact CG-OE2 3.24Å; R50-E138 WeakPolarHBondContact CG-OE2 3.5Å; R50-E138 IonicContact CZ-OE1 3.46Å; R50-E138 IonicContact CZ-OE2 3.68Å; R50-E138 PolarHBondContact N-O 3.4Å; R50-E138 IonicContact NE-OE1 2.7Å; R50-E138 IonicContact NE-OE2 3.77Å; R50-E138 PolarHBondContact NE-OE2 3.32Å; R50-E138 IonicContact NH2-OE1 3.37Å; R50-E138 PolarHBondContact NH2-OE1 3.43Å; R50-E138 IonicContact NH2-OE2 3.75Å; R50-E138 PolarHBondContact NH2-OE2 2.82Å; W134-E138 WeakPolarHBondContact O-CG 3.39Å; W134-E138 PolarHBondContact O-N 2.88Å; E138-L147 HydrophobicContact CG-CD2 3.86Å; E138-L147 VanDerWaalsContact OE1-CB 3.31Å; E138-L147 WeakPolarHBondContact OE1-CB 3.38Å; E138-L147 WeakPolarHBondContact OE1-CD2 3.38Å
139	R	86.4	Confident	91.1	Very high	91 Å²	91	49.4 Å²	49.4	34%	0.343	24%	0.239	S	C	.	.	H	α-helix	trans	-84.4	-25.5	175	-74.4	175.5	177.7	-180	5.4	113.9	S48 E49 T62 M63 V135 Q136 A137	S48-R139 WeakPolarHBondContact O-CG 3.48Å; S48-R139 PolarHBondContact OG-NE 2.99Å; S48-R139 PolarHBondContact OG-NH2 3.08Å; E49-R139 HydrophobicContact CG-CG 4.34Å; T62-R139 CarbonylContact C-O 3.57Å; T62-R139 PolarHBondContact OG1-O 3.25Å; M63-R139 PolarHBondContact N-O 2.77Å; V135-R139 WeakPolarHBondContact O-CB 3.46Å; V135-R139 WeakPolarHBondContact O-CG 3.43Å; V135-R139 PolarHBondContact O-N 2.91Å; V135-R139 VanDerWaalsContact O-N 3.1Å; Q136-R139 WeakPolarHBondContact O-CB 3.48Å; Q136-R139 PolarHBondContact O-N 3.1Å; Q136-R139 VanDerWaalsContact O-N 3.14Å; A137-R139 PolarHBondContact O-N 2.93Å
140	Q	91.8	Very high	91	Very high	34 Å²	34	53.6 Å²	53.6	16%	0.159	26%	0.262	C	S	.	.	H	α-helix	trans	-109.8	-26.5	-168.6	-70.8	-176.6	-30.7	0	0	113.9	M63 V64 T112 Q136 A137	M63-Q140 WeakPolarHBondContact CA-O 3.49Å; V64-Q140 PolarHBondContact N-O 2.95Å; V64-Q140 VanDerWaalsContact N-O 3.08Å; T112-Q140 PolarHBondContact OG1-NE2 2.87Å; T112-Q140 PolarHBondContact OG1-OE1 3.09Å; Q136-Q140 HydrophobicContact CG-CG 4.29Å; Q136-Q140 VanDerWaalsContact CG-OE1 3.26Å; Q136-Q140 VanDerWaalsContact NE2-OE1 3.08Å; Q136-Q140 WeakPolarHBondContact O-CB 3.39Å; Q136-Q140 WeakPolarHBondContact O-CG 3.29Å; Q136-Q140 PolarHBondContact O-N 2.9Å; A137-Q140 PolarHBondContact O-N 2.73Å
141	M	96	Very high	91.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.275	C	S	.	.			trans	-86.3	150.6	180	-63.1	-167	-59.1	0	0	112.4	R50 M63 F111 L127 A137 W145 L147	R50-M141 VanDerWaalsContact CD-O 3.26Å; R50-M141 WeakPolarHBondContact CD-O 3.04Å; R50-M141 VanDerWaalsContact NH1-CB 3.29Å; M63-M141 WeakPolarHBondContact CG-O 3.17Å; F111-M141 HydrophobicContact CB-CG 3.99Å; F111-M141 HydrophobicContact CB-SD 4.41Å; L127-M141 HydrophobicContact CB-CE 4.27Å; L127-M141 HydrophobicContact CB-SD 3.73Å; L127-M141 HydrophobicContact CD2-CE 3.99Å; L127-M141 HydrophobicContact CD2-SD 3.37Å; L127-M141 WeakPolarHBondContact CD2-SD 3.39Å; L127-M141 HydrophobicContact CG-SD 4.18Å; A137-M141 HydrophobicContact CB-CE 3.95Å; A137-M141 WeakPolarHBondContact O-CB 3.5Å; A137-M141 WeakPolarHBondContact O-CG 3.36Å; A137-M141 PolarHBondContact O-N 3.37Å; M141-W145 HydrophobicContact CB-CB 4.26Å; M141-W145 HydrophobicContact CE-CB 4.34Å; M141-W145 HydrophobicContact SD-CB 3.79Å; M141-W145 HydrophobicContact SD-CG 4.22Å; M141-L147 HydrophobicContact CE-CB 3.96Å; M141-L147 HydrophobicContact CE-CD1 4.3Å
142	D	95.9	Very high	91.8	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.027	26%	0.259	C	S	.	.			trans	-86.4	-179.6	170.7	70.6	18.4	0	0	0	112.1	R50 M63 T66 N144 W145	R50-D142 PolarHBondContact NH1-O 2.85Å; M63-D142 HydrophobicContact CG-CB 3.8Å; M63-D142 HydrophobicContact SD-CB 3.49Å; M63-D142 WeakPolarHBondContact SD-CB 3.4Å; T66-D142 PolarHBondContact N-OD2 3.36Å; T66-D142 PolarHBondContact OG1-OD1 2.81Å; T66-D142 PolarHBondContact OG1-OD2 3.03Å; D142-N144 PolarHBondContact O-N 3.14Å; D142-N144 WeakPolarHBondContact OD1-CA 3.41Å; D142-N144 WeakPolarHBondContact OD1-CB 3.37Å; D142-N144 PolarHBondContact OD1-N 3.4Å; D142-N144 PolarHBondContact OD1-ND2 3.03Å; D142-N144 VanDerWaalsContact OD1-ND2 3.08Å; D142-N144 PolarHBondContact OD2-ND2 2.85Å; D142-W145 PolarHBondContact O-N 2.78Å
143	C	96.2	Very high	92.7	Very high	53 Å²	53	50.5 Å²	50.5	36%	0.358	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	5.1	-179.3	-64.7	0	0	0	0	115.2	C52 W145	C52-C143 WeakPolarHBondContact CA-SG 3.46Å; C52-C143 HydrophobicContact CB-CB 3.75Å; C52-C143 WeakPolarHBondContact CB-SG 3.35Å; C52-C143 WeakPolarHBondContact SG-CA 3.39Å; C52-C143 WeakPolarHBondContact SG-CB 3.42Å; C52-C143 CovalentContact SG-SG 2.04Å; C52-C143 PolarHBondContact SG-SG 3.26Å; C143-W145 VanDerWaalsContact C-N 3.3Å
144	N	97.2	Very high	93.2	Very high	63 Å²	63	52 Å²	52	34%	0.337	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.8	171	-57.5	-71.2	0	0	0	112.1	T67 L70 D142	T67-N144 PolarHBondContact OG1-ND2 3.1Å; L70-N144 HydrophobicContact CD1-CB 3.43Å; L70-N144 VanDerWaalsContact CD1-CB 3.43Å; D142-N144 PolarHBondContact O-N 3.14Å; D142-N144 WeakPolarHBondContact OD1-CA 3.41Å; D142-N144 WeakPolarHBondContact OD1-CB 3.37Å; D142-N144 PolarHBondContact OD1-N 3.4Å; D142-N144 PolarHBondContact OD1-ND2 3.03Å; D142-N144 VanDerWaalsContact OD1-ND2 3.08Å; D142-N144 PolarHBondContact OD2-ND2 2.85Å
145	W	98.1	Very high	93.7	Very high	5 Å²	5	49 Å²	49	2%	0.019	26%	0.256	C	S	.	.			trans	-109.1	130.4	-175	-69.2	88.3	0	0	0	112.6	R50 T66 L70 M108 T109 A118 V120 A125 L127 M141 D142 C143	R50-W145 PolarHBondContact NH1-O 2.72Å; R50-W145 PolarHBondContact NH2-O 2.9Å; T66-W145 PolarHBondContact OG1-NE1 2.99Å; L70-W145 HydrophobicContact CD2-CH2 4.33Å; L70-W145 HydrophobicContact CD2-CZ2 3.73Å; L70-W145 HydrophobicContact CG-CZ2 4.36Å; M108-W145 HydrophobicContact CB-CH2 4.45Å; M108-W145 HydrophobicContact CB-CZ2 4.18Å; M108-W145 VanDerWaalsContact O-CZ2 3.29Å; M108-W145 WeakPolarHBondContact O-CZ2 3.49Å; M108-W145 PolarHBondContact O-NE1 2.88Å; T109-W145 HydrophobicContact CG2-CD2 3.98Å; T109-W145 HydrophobicContact CG2-CE3 3.85Å; T109-W145 HydrophobicContact CG2-CH2 3.54Å; T109-W145 HydrophobicContact CG2-CZ2 3.65Å; T109-W145 HydrophobicContact CG2-CZ3 3.64Å; A118-W145 HydrophobicContact CB-CH2 3.81Å; A118-W145 HydrophobicContact CB-CZ3 3.65Å; V120-W145 HydrophobicContact CG2-CH2 3.56Å; V120-W145 HydrophobicContact CG2-CZ2 4.26Å; V120-W145 HydrophobicContact CG2-CZ3 4.23Å; A125-W145 HydrophobicContact CB-CD2 3.78Å; A125-W145 HydrophobicContact CB-CE3 3.67Å; A125-W145 HydrophobicContact CB-CG 4.45Å; A125-W145 HydrophobicContact CB-CH2 3.99Å; A125-W145 HydrophobicContact CB-CZ2 4.1Å; A125-W145 HydrophobicContact CB-CZ3 3.77Å; A125-W145 WeakPolarHBondContact O-CA 3.31Å; L127-W145 HydrophobicContact CB-CE3 4.33Å; M141-W145 HydrophobicContact CB-CB 4.26Å; M141-W145 HydrophobicContact CE-CB 4.34Å; M141-W145 HydrophobicContact SD-CB 3.79Å; M141-W145 HydrophobicContact SD-CG 4.22Å; D142-W145 PolarHBondContact O-N 2.78Å; C143-W145 VanDerWaalsContact C-N 3.3Å
146	E	97.4	Very high	94.5	Very high	96 Å²	96	45.9 Å²	45.9	45%	0.449	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	146.5	166	-58.8	171.7	-175.3	0	0	109.8	A125 V126 L127	A125-E146 PolarHBondContact O-N 3.37Å; V126-E146 WeakPolarHBondContact CA-O 3.48Å; V126-E146 HydrophobicContact CG1-CB 4.23Å; V126-E146 HydrophobicContact CG2-CB 4.07Å; L127-E146 PolarHBondContact N-O 2.84Å
147	L	96.9	Very high	95.1	Very high	27 Å²	27	43.2 Å²	43.2	14%	0.141	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.5	176	174.7	63.9	0	0	0	109.6	T129 W134 A137 E138 M141	T129-L147 HydrophobicContact CG2-CD1 3.7Å; W134-L147 HydrophobicContact CB-CD2 4.25Å; A137-L147 HydrophobicContact CB-CD1 3.91Å; A137-L147 HydrophobicContact CB-CD2 4.16Å; E138-L147 HydrophobicContact CG-CD2 3.86Å; E138-L147 VanDerWaalsContact OE1-CB 3.31Å; E138-L147 WeakPolarHBondContact OE1-CB 3.38Å; E138-L147 WeakPolarHBondContact OE1-CD2 3.38Å; M141-L147 HydrophobicContact CE-CB 3.96Å; M141-L147 HydrophobicContact CE-CD1 4.3Å
148	E	97.5	Very high	95.3	Very high	65 Å²	65	47.4 Å²	47.4	30%	0.304	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.3	173.3	-74.5	-69.7	-178.9	0	0	111.2	V126 L127 W128 T129	V126-E148 HydrophobicContact CG1-CB 4.13Å; V126-E148 HydrophobicContact CG1-CG 3.47Å; V126-E148 VanDerWaalsContact CG1-CG 3.47Å; L127-E148 PolarHBondContact O-N 2.83Å; W128-E148 WeakPolarHBondContact CA-O 3.27Å; W128-E148 HydrophobicContact CD2-CB 3.89Å; W128-E148 HydrophobicContact CD2-CG 4.39Å; W128-E148 HydrophobicContact CG-CB 3.76Å; W128-E148 HydrophobicContact CZ2-CB 4.28Å; W128-E148 HydrophobicContact CZ2-CG 3.92Å; T129-E148 PolarHBondContact N-O 2.91Å
149	K	93.7	Very high	95.7	Very high	118 Å²	118	45.9 Å²	45.9	51%	0.513	24%	0.239	S	C	.	.			trans	-100	-19.1	-170.1	-64.1	-173.7	177.6	-178.8	0	113.9	W134 V151	W134-K149 HydrophobicContact CD2-CD 3.81Å; W134-K149 HydrophobicContact CD2-CG 3.99Å; W134-K149 HydrophobicContact CE3-CD 4.01Å; W134-K149 HydrophobicContact CG-CD 4.42Å; W134-K149 HydrophobicContact CG-CG 4.3Å; W134-K149 HydrophobicContact CH2-CB 4.44Å; W134-K149 HydrophobicContact CH2-CD 4.1Å; W134-K149 HydrophobicContact CZ2-CB 3.63Å; W134-K149 HydrophobicContact CZ2-CD 3.91Å; W134-K149 HydrophobicContact CZ2-CG 3.93Å; W134-K149 HydrophobicContact CZ3-CD 4.15Å; K149-V151 PolarHBondContact O-N 3.38Å
150	D	93.3	Very high	96.2	Very high	89 Å²	89	41.6 Å²	41.6	48%	0.476	22%	0.223	S	C	.	.			trans	-90.8	95.6	175.3	178.2	-4.8	0	0	0	110	S152 S155	D150-S152 PolarHBondContact O-N 2.83Å; D150-S152 VanDerWaalsContact O-N 3.12Å; D150-S152 WeakPolarHBondContact OD1-CB 3.26Å; D150-S152 PolarHBondContact OD1-N 3.11Å; D150-S152 PolarHBondContact OD1-OG 2.86Å; D150-S152 PolarHBondContact OD2-OG 2.9Å; D150-S155 WeakPolarHBondContact O-CB 3.36Å; D150-S155 PolarHBondContact O-OG 3.35Å
151	V	92.8	Very high	96.4	Very high	74 Å²	74	42.9 Å²	42.9	45%	0.448	23%	0.23	S	C	.	.			trans	-72.6	4.3	-176.4	-60.9	0	0	0	0	115.2	T129 D130 K149	T129-V151 WeakPolarHBondContact O-CG1 3.47Å; D130-V151 HydrophobicContact CB-CG1 4.08Å; K149-V151 PolarHBondContact O-N 3.38Å
152	S	95.6	Very high	96.3	Very high	35 Å²	35	51.4 Å²	51.4	25%	0.245	26%	0.262	C	S	.	.			trans	-65.1	143.9	179.8	65.5	0	0	0	0	111.9	D150 S154 S155 I156	D150-S152 PolarHBondContact O-N 2.83Å; D150-S152 VanDerWaalsContact O-N 3.12Å; D150-S152 WeakPolarHBondContact OD1-CB 3.26Å; D150-S152 PolarHBondContact OD1-N 3.11Å; D150-S152 PolarHBondContact OD1-OG 2.86Å; D150-S152 PolarHBondContact OD2-OG 2.9Å; S152-S154 WeakPolarHBondContact CB-OG 3.36Å; S152-S154 PolarHBondContact O-N 3.5Å; S152-S154 PolarHBondContact OG-OG 3.13Å; S152-S155 WeakPolarHBondContact O-CB 3.28Å; S152-S155 PolarHBondContact O-N 3.32Å; S152-S155 VanDerWaalsContact OG-CB 3.3Å; S152-S155 WeakPolarHBondContact OG-CB 3.3Å; S152-S155 PolarHBondContact OG-N 2.97Å; S152-S155 VanDerWaalsContact OG-N 3.14Å; S152-I156 PolarHBondContact O-N 2.99Å
153	I	95.9	Very high	96.3	Very high	45 Å²	45	54 Å²	54	23%	0.231	28%	0.275	C	S	.	.	H	α-helix	trans	-58.8	-32.7	172.7	-70.5	175.3	0	0	0	110.8	I156 A157 T181 Y185	I153-I156 PolarHBondContact O-N 3.5Å; I153-A157 WeakPolarHBondContact O-CB 3.22Å; I153-A157 PolarHBondContact O-N 3.38Å; I153-T181 HydrophobicContact CD1-CG2 4.12Å; I153-Y185 HydrophobicContact CD1-CD2 4.45Å; I153-Y185 HydrophobicContact CD1-CE2 4.25Å; I153-Y185 HydrophobicContact CG1-CE2 4.18Å; I153-Y185 HydrophobicContact CG2-CD1 3.7Å; I153-Y185 HydrophobicContact CG2-CD2 3.98Å; I153-Y185 HydrophobicContact CG2-CE1 3.82Å; I153-Y185 HydrophobicContact CG2-CE2 4.09Å; I153-Y185 HydrophobicContact CG2-CG 3.78Å
154	S	96.4	Very high	96.2	Very high	48 Å²	48	52.4 Å²	52.4	34%	0.336	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-44	173.2	40.2	0	0	0	0	112.5	S152 I156 A157 D158	S152-S154 WeakPolarHBondContact CB-OG 3.36Å; S152-S154 PolarHBondContact O-N 3.5Å; S152-S154 PolarHBondContact OG-OG 3.13Å; S154-I156 VanDerWaalsContact C-N 3.34Å; S154-I156 PolarHBondContact O-N 2.89Å; S154-A157 PolarHBondContact O-N 2.85Å; S154-D158 WeakPolarHBondContact O-CB 3.45Å; S154-D158 VanDerWaalsContact O-CG 3.26Å; S154-D158 PolarHBondContact O-N 3.36Å
155	S	97.6	Very high	95.8	Very high	19 Å²	19	51.9 Å²	51.9	13%	0.133	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-44.3	176.5	169.6	0	0	0	0	111.8	W128 D150 S152 D158 W159	W128-S155 PolarHBondContact NE1-OG 3.43Å; W128-S155 VanDerWaalsContact NE1-OG 3.13Å; D150-S155 WeakPolarHBondContact O-CB 3.36Å; D150-S155 PolarHBondContact O-OG 3.35Å; S152-S155 WeakPolarHBondContact O-CB 3.28Å; S152-S155 PolarHBondContact O-N 3.32Å; S152-S155 VanDerWaalsContact OG-CB 3.3Å; S152-S155 WeakPolarHBondContact OG-CB 3.3Å; S152-S155 PolarHBondContact OG-N 2.97Å; S152-S155 VanDerWaalsContact OG-N 3.14Å; S155-D158 PolarHBondContact O-N 3.36Å; S155-W159 WeakPolarHBondContact O-CB 3.21Å; S155-W159 PolarHBondContact O-N 3.26Å
156	I	98	Very high	94.9	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-44.2	177	-57.9	171.6	0	0	0	110.8	T117 V119 W128 S152 I153 S154 W159 L160 Y185	T117-I156 HydrophobicContact CG2-CD1 4.02Å; V119-I156 HydrophobicContact CG2-CG2 3.67Å; W128-I156 HydrophobicContact CB-CD1 4.43Å; W128-I156 HydrophobicContact CD2-CD1 4.31Å; W128-I156 HydrophobicContact CD2-CG1 3.64Å; W128-I156 HydrophobicContact CE3-CG1 4.14Å; W128-I156 HydrophobicContact CG-CD1 4.22Å; W128-I156 HydrophobicContact CG-CG1 3.8Å; W128-I156 HydrophobicContact CZ2-CG1 4.33Å; S152-I156 PolarHBondContact O-N 2.99Å; I153-I156 PolarHBondContact O-N 3.5Å; S154-I156 VanDerWaalsContact C-N 3.34Å; S154-I156 PolarHBondContact O-N 2.89Å; I156-W159 PolarHBondContact O-N 3.24Å; I156-L160 HydrophobicContact CG2-CD1 4.07Å; I156-L160 WeakPolarHBondContact O-CG 3.19Å; I156-L160 PolarHBondContact O-N 3.14Å; I156-Y185 HydrophobicContact CB-CE1 4.09Å; I156-Y185 VanDerWaalsContact CD1-OH 3.27Å; I156-Y185 WeakPolarHBondContact CD1-OH 3.31Å; I156-Y185 HydrophobicContact CG2-CE1 3.8Å
157	A	97.1	Very high	93.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.6	-44.2	178.5	0	0	0	0	0	112.2	I153 S154 W159 L160 I161 N188 L189	I153-A157 WeakPolarHBondContact O-CB 3.22Å; I153-A157 PolarHBondContact O-N 3.38Å; S154-A157 PolarHBondContact O-N 2.85Å; A157-W159 VanDerWaalsContact C-N 3.28Å; A157-W159 PolarHBondContact O-N 2.9Å; A157-L160 WeakPolarHBondContact O-CB 3.28Å; A157-L160 PolarHBondContact O-N 2.81Å; A157-I161 WeakPolarHBondContact O-CD1 3.25Å; A157-I161 WeakPolarHBondContact O-CG1 3.46Å; A157-I161 PolarHBondContact O-N 3.31Å; A157-N188 HydrophobicContact CB-CB 3.45Å; A157-N188 VanDerWaalsContact CB-CB 3.45Å; A157-L189 HydrophobicContact CB-CD2 3.96Å; A157-L189 HydrophobicContact CB-CG 4.23Å
158	D	97.1	Very high	93.3	Very high	88 Å²	88	57.3 Å²	57.3	47%	0.471	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-35.2	176.3	-74.6	-17.5	0	0	0	112	S154 S155 R162	S154-D158 WeakPolarHBondContact O-CB 3.45Å; S154-D158 VanDerWaalsContact O-CG 3.26Å; S154-D158 PolarHBondContact O-N 3.36Å; S155-D158 PolarHBondContact O-N 3.36Å; D158-R162 WeakPolarHBondContact O-CG 3.48Å; D158-R162 PolarHBondContact O-N 3.03Å; D158-R162 PolarHBondContact O-NE 3.4Å; D158-R162 VanDerWaalsContact O-NE 3.15Å
159	W	97.8	Very high	93.1	Very high	7 Å²	7	55.7 Å²	55.7	3%	0.027	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-49.1	171.3	-176.4	93.1	0	0	0	111.2	V119 T121 K124 V126 W128 S155 I156 A157 I161 R162 E163	V119-W159 HydrophobicContact CB-CZ3 4.19Å; V119-W159 HydrophobicContact CG1-CE3 4.39Å; V119-W159 HydrophobicContact CG1-CZ3 3.7Å; T121-W159 HydrophobicContact CG2-CH2 3.52Å; T121-W159 HydrophobicContact CG2-CZ3 3.74Å; K124-W159 HydrophobicContact CB-CH2 4.38Å; K124-W159 HydrophobicContact CB-CZ2 4.11Å; K124-W159 HydrophobicContact CD-CZ2 4.27Å; V126-W159 HydrophobicContact CB-CZ2 4.24Å; V126-W159 HydrophobicContact CG2-CH2 3.94Å; V126-W159 HydrophobicContact CG2-CZ2 3.24Å; W128-W159 HydrophobicContact CH2-CB 4.17Å; W128-W159 AromaticContact CH2-CD2 3.63Å; W128-W159 HydrophobicContact CH2-CD2 3.63Å; W128-W159 AromaticContact CH2-CE3 3.76Å; W128-W159 HydrophobicContact CH2-CE3 3.76Å; W128-W159 AromaticContact CH2-CG 3.81Å; W128-W159 HydrophobicContact CH2-CG 3.81Å; W128-W159 HydrophobicContact CH2-CZ3 4.37Å; W128-W159 HydrophobicContact CZ2-CB 3.75Å; W128-W159 HydrophobicContact CZ2-CD2 4.09Å; W128-W159 AromaticContact CZ2-CG 3.74Å; W128-W159 HydrophobicContact CZ2-CG 3.74Å; S155-W159 WeakPolarHBondContact O-CB 3.21Å; S155-W159 PolarHBondContact O-N 3.26Å; I156-W159 PolarHBondContact O-N 3.24Å; A157-W159 VanDerWaalsContact C-N 3.28Å; A157-W159 PolarHBondContact O-N 2.9Å; W159-I161 VanDerWaalsContact C-N 3.33Å; W159-I161 PolarHBondContact O-N 3.19Å; W159-R162 PolarHBondContact O-N 3.4Å; W159-R162 VanDerWaalsContact O-N 3.09Å; W159-E163 HydrophobicContact CD2-CG 3.87Å; W159-E163 HydrophobicContact CE3-CG 4.29Å; W159-E163 HydrophobicContact CG-CG 4.38Å; W159-E163 HydrophobicContact CH2-CB 4.48Å; W159-E163 HydrophobicContact CH2-CG 4.24Å; W159-E163 HydrophobicContact CZ2-CB 4.5Å; W159-E163 HydrophobicContact CZ2-CG 3.79Å; W159-E163 HydrophobicContact CZ3-CG 4.46Å; W159-E163 VanDerWaalsContact O-CG 3.29Å; W159-E163 WeakPolarHBondContact O-CG 3.42Å; W159-E163 PolarHBondContact O-N 3.39Å; W159-E163 VanDerWaalsContact O-N 3.16Å
160	L	97.3	Very high	93.3	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.2	-46	177	-77.2	163.2	0	0	0	112	A84 I86 V119 I156 A157 R162 E163 V164 I170 L189	A84-L160 HydrophobicContact CB-CD2 3.53Å; I86-L160 HydrophobicContact CD1-CD1 4.25Å; V119-L160 HydrophobicContact CG1-CD2 3.83Å; V119-L160 HydrophobicContact CG1-CG 4.46Å; I156-L160 HydrophobicContact CG2-CD1 4.07Å; I156-L160 WeakPolarHBondContact O-CG 3.19Å; I156-L160 PolarHBondContact O-N 3.14Å; A157-L160 WeakPolarHBondContact O-CB 3.28Å; A157-L160 PolarHBondContact O-N 2.81Å; L160-R162 PolarHBondContact O-N 3.35Å; L160-E163 PolarHBondContact O-N 3Å; L160-V164 VanDerWaalsContact O-CG2 3.24Å; L160-V164 WeakPolarHBondContact O-CG2 3.47Å; L160-V164 PolarHBondContact O-N 3.22Å; L160-I170 HydrophobicContact CB-CD1 4.27Å; L160-I170 HydrophobicContact CD1-CD1 4.16Å; L160-I170 HydrophobicContact CD1-CG2 4.31Å; L160-I170 HydrophobicContact CD2-CD1 4.29Å; L160-I170 HydrophobicContact CD2-CG1 4.36Å; L160-I170 HydrophobicContact CD2-CG2 4.43Å; L160-I170 HydrophobicContact CG-CD1 4.48Å; L160-L189 HydrophobicContact CB-CD2 4.13Å; L160-L189 HydrophobicContact CD1-CD2 4.39Å
161	I	96.1	Very high	93.5	Very high	61 Å²	61	45.8 Å²	45.8	31%	0.313	25%	0.247	S	C	.	.	H	α-helix	trans	-58	-31.9	179.1	-69.2	163.5	0	0	0	112.5	A157 W159 L189 A192 L194	A157-I161 WeakPolarHBondContact O-CD1 3.25Å; A157-I161 WeakPolarHBondContact O-CG1 3.46Å; A157-I161 PolarHBondContact O-N 3.31Å; W159-I161 VanDerWaalsContact C-N 3.33Å; W159-I161 PolarHBondContact O-N 3.19Å; I161-L189 HydrophobicContact CD1-CD2 4.5Å; I161-L189 HydrophobicContact CG1-CD2 4.12Å; I161-A192 HydrophobicContact CB-CB 4.5Å; I161-A192 HydrophobicContact CD1-CB 3.88Å; I161-A192 HydrophobicContact CG1-CB 3.67Å; I161-A192 HydrophobicContact CG2-CB 4.06Å; I161-L194 HydrophobicContact CB-CD1 4.43Å; I161-L194 HydrophobicContact CG1-CD1 3.84Å
162	R	95.4	Very high	93.8	Very high	179 Å²	179	42.3 Å²	42.3	68%	0.675	23%	0.226	S	C	*	.	H	α-helix	trans	-82.7	-25.7	178.5	-70.7	-178.9	-68	164.6	1.6	113.4	D158 W159 L160	D158-R162 WeakPolarHBondContact O-CG 3.48Å; D158-R162 PolarHBondContact O-N 3.03Å; D158-R162 PolarHBondContact O-NE 3.4Å; D158-R162 VanDerWaalsContact O-NE 3.15Å; W159-R162 PolarHBondContact O-N 3.4Å; W159-R162 VanDerWaalsContact O-N 3.09Å; L160-R162 PolarHBondContact O-N 3.35Å
163	E	94.9	Very high	93.9	Very high	60 Å²	60	40.9 Å²	40.9	28%	0.28	22%	0.216	S	C	.	.	H	α-helix	trans	-101.6	-26.2	-168	-66.6	-63.6	151.7	0	0	114.3	K124 W159 L160	K124-E163 VanDerWaalsContact CD-OE2 3.28Å; K124-E163 WeakPolarHBondContact CD-OE2 3.46Å; K124-E163 WeakPolarHBondContact CE-OE2 3.31Å; K124-E163 IonicContact NZ-OE1 3.76Å; K124-E163 PolarHBondContact NZ-OE1 3.17Å; K124-E163 IonicContact NZ-OE2 2.75Å; K124-E163 PolarHBondContact NZ-OE2 3.41Å; W159-E163 HydrophobicContact CD2-CG 3.87Å; W159-E163 HydrophobicContact CE3-CG 4.29Å; W159-E163 HydrophobicContact CG-CG 4.38Å; W159-E163 HydrophobicContact CH2-CB 4.48Å; W159-E163 HydrophobicContact CH2-CG 4.24Å; W159-E163 HydrophobicContact CZ2-CB 4.5Å; W159-E163 HydrophobicContact CZ2-CG 3.79Å; W159-E163 HydrophobicContact CZ3-CG 4.46Å; W159-E163 VanDerWaalsContact O-CG 3.29Å; W159-E163 WeakPolarHBondContact O-CG 3.42Å; W159-E163 PolarHBondContact O-N 3.39Å; W159-E163 VanDerWaalsContact O-N 3.16Å; L160-E163 PolarHBondContact O-N 3Å
164	V	93.5	Very high	94	Very high	20 Å²	20	38.8 Å²	38.8	12%	0.121	21%	0.205	C	C	.	.	S	Bend	trans	-112.4	158.3	178.8	-59.3	0	0	0	0	112.3	A84 T121 L160 D168 L194	A84-V164 HydrophobicContact CB-CG1 4.14Å; T121-V164 HydrophobicContact CG2-CG1 4.23Å; L160-V164 VanDerWaalsContact O-CG2 3.24Å; L160-V164 WeakPolarHBondContact O-CG2 3.47Å; L160-V164 PolarHBondContact O-N 3.22Å; V164-D168 HydrophobicContact CB-CB 4.07Å; V164-D168 HydrophobicContact CG2-CB 4.38Å; V164-L194 HydrophobicContact CG2-CD1 3.86Å; V164-L194 HydrophobicContact CG2-CD2 3.72Å; V164-L194 HydrophobicContact CG2-CG 4.47Å
165	S	88.6	Confident	94.1	Very high	52 Å²	52	38 Å²	38	36%	0.364	20%	0.196	S	C	.	.			trans	-72.8	148.6	175.7	168.9	0	0	0	0	110.9	T167 D168 L194	S165-T167 PolarHBondContact O-N 3.4Å; S165-T167 PolarHBondContact OG-N 3.47Å; S165-T167 PolarHBondContact OG-OG1 3.23Å; S165-D168 WeakPolarHBondContact CB-OD2 3.19Å; S165-D168 PolarHBondContact N-OD2 3.01Å; S165-D168 VanDerWaalsContact O-CB 3.26Å; S165-D168 WeakPolarHBondContact O-CB 3.4Å; S165-D168 PolarHBondContact O-N 2.93Å; S165-L194 WeakPolarHBondContact O-CD2 3.3Å
166	D	79.1	Confident	94.1	Very high	87 Å²	87	37.4 Å²	37.4	47%	0.465	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	0.6	174.6	70.7	-25.2	0	0	0	115.6
167	T	75.9	Confident	94.1	Very high	111 Å²	111	37.4 Å²	37.4	68%	0.681	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-2.4	173.2	59.7	0	0	0	0	113.6	S165	S165-T167 PolarHBondContact O-N 3.4Å; S165-T167 PolarHBondContact OG-N 3.47Å; S165-T167 PolarHBondContact OG-OG1 3.23Å
168	D	85	Confident	94	Very high	43 Å²	43	38.2 Å²	38.2	23%	0.23	20%	0.197	C	C	.	.			trans	-78.9	152.2	-177.3	-75.5	-35.7	0	0	0	112.7	S83 V164 S165	S83-D168 WeakPolarHBondContact CB-OD2 3.06Å; S83-D168 WeakPolarHBondContact OG-CB 3.26Å; S83-D168 PolarHBondContact OG-OD1 3.15Å; S83-D168 PolarHBondContact OG-OD2 3.31Å; V164-D168 HydrophobicContact CB-CB 4.07Å; V164-D168 HydrophobicContact CG2-CB 4.38Å; S165-D168 WeakPolarHBondContact CB-OD2 3.19Å; S165-D168 PolarHBondContact N-OD2 3.01Å; S165-D168 VanDerWaalsContact O-CB 3.26Å; S165-D168 WeakPolarHBondContact O-CB 3.4Å; S165-D168 PolarHBondContact O-N 2.93Å
169	N	93.4	Very high	93.9	Very high	31 Å²	31	34.3 Å²	34.3	17%	0.166	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.3	171	-63.6	-70.7	0	0	0	110.2	V82 S83 K197	V82-N169 CarbonylContact C-O 3.47Å; V82-N169 WeakPolarHBondContact CA-O 3.29Å; V82-N169 WeakPolarHBondContact CB-O 3.24Å; V82-N169 HydrophobicContact CG1-CB 4.15Å; S83-N169 PolarHBondContact N-O 3.22Å; N169-K197 HydrophobicContact CB-CB 4.16Å; N169-K197 HydrophobicContact CB-CD 4.26Å
170	I	97.8	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111.4	174.5	-61.1	159.9	0	0	0	107.5	A84 I86 L160 L189 L194 M195 L196 K197	A84-I170 HydrophobicContact CB-CG1 4.32Å; A84-I170 HydrophobicContact CB-CG2 4.27Å; I86-I170 HydrophobicContact CD1-CG2 3.77Å; I86-I170 HydrophobicContact CG1-CG2 3.99Å; L160-I170 HydrophobicContact CB-CD1 4.27Å; L160-I170 HydrophobicContact CD1-CD1 4.16Å; L160-I170 HydrophobicContact CD1-CG2 4.31Å; L160-I170 HydrophobicContact CD2-CD1 4.29Å; L160-I170 HydrophobicContact CD2-CG1 4.36Å; L160-I170 HydrophobicContact CD2-CG2 4.43Å; L160-I170 HydrophobicContact CG-CD1 4.48Å; I170-L189 HydrophobicContact CD1-CD1 3.73Å; I170-L189 HydrophobicContact CD1-CD2 3.9Å; I170-L189 HydrophobicContact CD1-CG 4.39Å; I170-L194 HydrophobicContact CD1-CB 3.98Å; I170-L194 HydrophobicContact CD1-CD1 4.11Å; I170-L194 HydrophobicContact CD1-CG 4.49Å; I170-M195 PolarHBondContact N-O 3.41Å; I170-L196 HydrophobicContact CB-CD2 4.11Å; I170-L196 HydrophobicContact CG2-CD2 3.91Å; I170-L196 CarbonylContact O-C 3.45Å; I170-L196 WeakPolarHBondContact O-CA 3.3Å; I170-K197 PolarHBondContact O-N 2.75Å
171	G	98.1	Very high	93.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	145.7	-179.7	0	0	0	0	0	112.5	A84 Y85 I86 K197	A84-G171 PolarHBondContact O-N 3.31Å; Y85-G171 WeakPolarHBondContact CA-O 3.39Å; Y85-G171 VanDerWaalsContact CD2-C 3.46Å; Y85-G171 VanDerWaalsContact CD2-O 3.31Å; Y85-G171 WeakPolarHBondContact CD2-O 3.46Å; I86-G171 PolarHBondContact N-O 3.25Å; G171-K197 WeakPolarHBondContact CA-O 3.43Å
172	F	98.4	Very high	93.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	156.3	168.6	73.5	-74	0	0	0	110.3	P174 F177 Y182 L196 K197 I199 Y348	F172-P174 HydrophobicContact CD2-CB 4.49Å; F172-P174 HydrophobicContact CE2-CB 3.84Å; F172-P174 HydrophobicContact CZ-CB 4.34Å; F172-P174 WeakPolarHBondContact O-CD 3.34Å; F172-F177 HydrophobicContact CB-CD1 4.34Å; F172-F177 HydrophobicContact CB-CE1 3.71Å; F172-F177 HydrophobicContact CB-CE2 4.2Å; F172-F177 HydrophobicContact CB-CZ 3.63Å; F172-F177 HydrophobicContact CD2-CB 4.17Å; F172-F177 AromaticContact CD2-CD1 3.61Å; F172-F177 HydrophobicContact CD2-CD1 3.61Å; F172-F177 AromaticContact CD2-CD2 3.62Å; F172-F177 HydrophobicContact CD2-CD2 3.62Å; F172-F177 AromaticContact CD2-CE1 3.83Å; F172-F177 HydrophobicContact CD2-CE1 3.83Å; F172-F177 AromaticContact CD2-CE2 3.82Å; F172-F177 HydrophobicContact CD2-CE2 3.82Å; F172-F177 AromaticContact CD2-CG 3.52Å; F172-F177 HydrophobicContact CD2-CG 3.52Å; F172-F177 AromaticContact CD2-CZ 3.94Å; F172-F177 HydrophobicContact CD2-CZ 3.94Å; F172-F177 HydrophobicContact CE2-CB 4.13Å; F172-F177 HydrophobicContact CE2-CD1 4.41Å; F172-F177 AromaticContact CE2-CD2 3.9Å; F172-F177 HydrophobicContact CE2-CD2 3.9Å; F172-F177 HydrophobicContact CE2-CE2 4.42Å; F172-F177 AromaticContact CE2-CG 3.9Å; F172-F177 HydrophobicContact CE2-CG 3.9Å; F172-F177 HydrophobicContact CG-CD1 4.4Å; F172-F177 HydrophobicContact CG-CD2 4.34Å; F172-F177 HydrophobicContact CG-CE1 4.17Å; F172-F177 HydrophobicContact CG-CE2 4.09Å; F172-F177 HydrophobicContact CG-CZ 4.01Å; F172-Y182 HydrophobicContact CE1-CD2 4.18Å; F172-Y182 HydrophobicContact CE1-CE2 4.08Å; F172-Y182 HydrophobicContact CE2-CD2 4.08Å; F172-Y182 AromaticContact CZ-CD2 3.55Å; F172-Y182 HydrophobicContact CZ-CD2 3.55Å; F172-Y182 AromaticContact CZ-CE2 3.74Å; F172-Y182 HydrophobicContact CZ-CE2 3.74Å; F172-L196 HydrophobicContact CD1-CB 4.05Å; F172-L196 HydrophobicContact CD1-CD2 4.34Å; F172-L196 HydrophobicContact CE1-CB 3.78Å; F172-K197 WeakPolarHBondContact CD1-O 3.28Å; F172-K197 PolarHBondContact N-O 3.47Å; F172-K197 VanDerWaalsContact N-O 3.11Å; F172-I199 PolarHBondContact O-N 3.01Å; F172-Y348 AromaticContact CE2-CD1 3.94Å; F172-Y348 HydrophobicContact CE2-CD1 3.94Å; F172-Y348 AromaticContact CZ-CD1 3.81Å; F172-Y348 HydrophobicContact CZ-CD1 3.81Å; F172-Y348 HydrophobicContact CZ-CE1 4.01Å
173	D	98.5	Very high	93.8	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.032	20%	0.199	C	C	.	.			trans	-84.1	114.9	166.7	-178	-12	0	0	0	109.5	F175 L176 I199 N202	D173-F175 PolarHBondContact O-N 2.87Å; D173-F175 WeakPolarHBondContact OD1-CB 3.47Å; D173-F175 PolarHBondContact OD1-N 3.21Å; D173-L176 HydrophobicContact CB-CD1 4.08Å; D173-L176 HydrophobicContact CB-CG 3.99Å; D173-L176 PolarHBondContact O-N 2.79Å; D173-L176 VanDerWaalsContact O-N 3.09Å; D173-I199 WeakPolarHBondContact CA-O 3.42Å; D173-N202 WeakPolarHBondContact CB-ND2 3.36Å; D173-N202 WeakPolarHBondContact OD2-CB 3.22Å; D173-N202 PolarHBondContact OD2-ND2 3.24Å
174	P	98.2	Very high	93.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-67.3	-16.1	-177.7	33.6	-41.5	0	0	0	114	F172 L176 S198 I199 P200 Y348 A349	F172-P174 HydrophobicContact CD2-CB 4.49Å; F172-P174 HydrophobicContact CE2-CB 3.84Å; F172-P174 HydrophobicContact CZ-CB 4.34Å; F172-P174 WeakPolarHBondContact O-CD 3.34Å; P174-L176 VanDerWaalsContact C-N 3.27Å; P174-S198 WeakPolarHBondContact CB-OG 3.33Å; P174-S198 VanDerWaalsContact CG-OG 3.29Å; P174-S198 WeakPolarHBondContact CG-OG 3.45Å; P174-I199 VanDerWaalsContact CD-C 3.47Å; P174-I199 WeakPolarHBondContact CD-O 2.78Å; P174-P200 HydrophobicContact CG-CB 4.3Å; P174-P200 HydrophobicContact CG-CG 3.95Å; P174-Y348 HydrophobicContact CB-CD1 3.97Å; P174-Y348 PolarHBondContact O-N 3.41Å; P174-A349 HydrophobicContact CB-CB 3.85Å; P174-A349 HydrophobicContact CG-CB 3.86Å; P174-A349 PolarHBondContact O-N 3.3Å
175	F	98.2	Very high	94	Very high	33 Å²	33	35.7 Å²	35.7	15%	0.145	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-71.3	-25.2	172.7	-77.1	-77.9	0	0	0	112.6	A92 D173 P200 R325 N347 A349	A92-F175 WeakPolarHBondContact CA-O 3.17Å; A92-F175 HydrophobicContact CB-CB 3.86Å; A92-F175 HydrophobicContact CB-CD1 4.09Å; A92-F175 HydrophobicContact CB-CG 4.26Å; D173-F175 PolarHBondContact O-N 2.87Å; D173-F175 WeakPolarHBondContact OD1-CB 3.47Å; D173-F175 PolarHBondContact OD1-N 3.21Å; F175-P200 HydrophobicContact CE2-CB 4.27Å; F175-R325 VanDerWaalsContact CZ-CD 3.41Å; F175-R325 HydrophobicContact CZ-CG 3.81Å; F175-N347 VanDerWaalsContact O-CB 3.3Å; F175-N347 WeakPolarHBondContact O-CB 3.42Å; F175-A349 HydrophobicContact CB-CB 4.36Å; F175-A349 HydrophobicContact CD1-CB 3.59Å; F175-A349 HydrophobicContact CD2-CB 3.83Å; F175-A349 HydrophobicContact CE1-CB 3.78Å; F175-A349 HydrophobicContact CE2-CB 4.01Å; F175-A349 HydrophobicContact CG-CB 3.64Å; F175-A349 HydrophobicContact CZ-CB 4Å
176	L	97.7	Very high	94.4	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.026	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-95.7	5.9	-175.9	-49.4	-175.9	0	0	0	113.2	P88 T90 D173 P174	P88-L176 HydrophobicContact CG-CB 3.59Å; P88-L176 HydrophobicContact CG-CD1 4.28Å; P88-L176 WeakPolarHBondContact CG-O 3.42Å; T90-L176 HydrophobicContact CG2-CB 4.04Å; T90-L176 VanDerWaalsContact CG2-O 3.31Å; T90-L176 WeakPolarHBondContact CG2-O 3.3Å; D173-L176 HydrophobicContact CB-CD1 4.08Å; D173-L176 HydrophobicContact CB-CG 3.99Å; D173-L176 PolarHBondContact O-N 2.79Å; D173-L176 VanDerWaalsContact O-N 3.09Å; P174-L176 VanDerWaalsContact C-N 3.27Å
177	F	97.4	Very high	95.2	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	20%	0.198	C	C	.	.			trans	-114	130	-179	-85.1	48.2	0	0	0	109.3	I86 P88 F172 T181 Y185 N347 Y348	I86-F177 HydrophobicContact CB-CE1 4.47Å; I86-F177 HydrophobicContact CB-CZ 4.05Å; I86-F177 HydrophobicContact CD1-CZ 4.11Å; I86-F177 HydrophobicContact CG2-CE1 4.17Å; I86-F177 HydrophobicContact CG2-CZ 3.81Å; P88-F177 HydrophobicContact CG-CD1 4.35Å; P88-F177 HydrophobicContact CG-CE1 4.13Å; F172-F177 HydrophobicContact CB-CD1 4.34Å; F172-F177 HydrophobicContact CB-CE1 3.71Å; F172-F177 HydrophobicContact CB-CE2 4.2Å; F172-F177 HydrophobicContact CB-CZ 3.63Å; F172-F177 HydrophobicContact CD2-CB 4.17Å; F172-F177 AromaticContact CD2-CD1 3.61Å; F172-F177 HydrophobicContact CD2-CD1 3.61Å; F172-F177 AromaticContact CD2-CD2 3.62Å; F172-F177 HydrophobicContact CD2-CD2 3.62Å; F172-F177 AromaticContact CD2-CE1 3.83Å; F172-F177 HydrophobicContact CD2-CE1 3.83Å; F172-F177 AromaticContact CD2-CE2 3.82Å; F172-F177 HydrophobicContact CD2-CE2 3.82Å; F172-F177 AromaticContact CD2-CG 3.52Å; F172-F177 HydrophobicContact CD2-CG 3.52Å; F172-F177 AromaticContact CD2-CZ 3.94Å; F172-F177 HydrophobicContact CD2-CZ 3.94Å; F172-F177 HydrophobicContact CE2-CB 4.13Å; F172-F177 HydrophobicContact CE2-CD1 4.41Å; F172-F177 AromaticContact CE2-CD2 3.9Å; F172-F177 HydrophobicContact CE2-CD2 3.9Å; F172-F177 HydrophobicContact CE2-CE2 4.42Å; F172-F177 AromaticContact CE2-CG 3.9Å; F172-F177 HydrophobicContact CE2-CG 3.9Å; F172-F177 HydrophobicContact CG-CD1 4.4Å; F172-F177 HydrophobicContact CG-CD2 4.34Å; F172-F177 HydrophobicContact CG-CE1 4.17Å; F172-F177 HydrophobicContact CG-CE2 4.09Å; F172-F177 HydrophobicContact CG-CZ 4.01Å; F177-T181 HydrophobicContact CD2-CG2 3.72Å; F177-T181 HydrophobicContact CE2-CG2 4.01Å; F177-T181 HydrophobicContact CG-CG2 4.12Å; F177-Y185 HydrophobicContact CD2-CD2 4.35Å; F177-Y185 AromaticContact CE2-CD2 3.53Å; F177-Y185 HydrophobicContact CE2-CD2 3.53Å; F177-Y185 AromaticContact CE2-CE2 3.78Å; F177-Y185 HydrophobicContact CE2-CE2 3.78Å; F177-Y185 HydrophobicContact CE2-CG 4.43Å; F177-Y185 HydrophobicContact CZ-CD2 4.19Å; F177-Y185 HydrophobicContact CZ-CE2 4Å; F177-N347 CarbonylContact O-C 3.59Å; F177-N347 WeakPolarHBondContact O-CA 3.11Å; F177-Y348 PolarHBondContact O-N 3.41Å
178	S	95.5	Very high	96.2	Very high	18 Å²	18	36 Å²	36	13%	0.126	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-71.3	161.6	160.8	74.3	0	0	0	0	110.3	Q180 T181 Y182	S178-Q180 VanDerWaalsContact C-N 3.29Å; S178-Q180 PolarHBondContact O-N 3.03Å; S178-T181 WeakPolarHBondContact O-CB 3.2Å; S178-T181 PolarHBondContact O-N 3.47Å; S178-T181 VanDerWaalsContact O-N 3.16Å; S178-T181 WeakPolarHBondContact OG-CB 3.49Å; S178-T181 PolarHBondContact OG-N 3.2Å; S178-T181 VanDerWaalsContact OG-N 3.09Å; S178-T181 PolarHBondContact OG-OG1 3.08Å; S178-Y182 PolarHBondContact O-N 3.06Å
179	I	96.1	Very high	96.6	Very high	6 Å²	6	34 Å²	34	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-56.1	-47.5	175.2	-60.8	165.2	0	0	0	110.1	T181 Y182 E183 I341 T343 Y351	I179-T181 VanDerWaalsContact C-N 3.31Å; I179-T181 PolarHBondContact O-N 3.29Å; I179-Y182 PolarHBondContact O-N 3.09Å; I179-E183 HydrophobicContact CG2-CG 4.43Å; I179-E183 WeakPolarHBondContact O-CG 3.44Å; I179-E183 PolarHBondContact O-N 2.95Å; I179-I341 HydrophobicContact CD1-CD1 3.76Å; I179-T343 HydrophobicContact CD1-CG2 4.26Å; I179-Y351 HydrophobicContact CD1-CD2 3.39Å; I179-Y351 HydrophobicContact CD1-CE2 3.97Å; I179-Y351 HydrophobicContact CD1-CG 3.8Å; I179-Y351 HydrophobicContact CG1-CD1 4.25Å; I179-Y351 HydrophobicContact CG1-CD2 3.81Å; I179-Y351 HydrophobicContact CG1-CE2 4.38Å; I179-Y351 HydrophobicContact CG1-CG 3.72Å; I179-Y351 HydrophobicContact CG2-CD2 4.45Å; I179-Y351 HydrophobicContact CG2-CE1 4.35Å; I179-Y351 HydrophobicContact CG2-CE2 4.19Å
180	Q	94.4	Very high	96.7	Very high	119 Å²	119	36.7 Å²	36.7	56%	0.556	18%	0.183	S	C	*	.	H	α-helix	trans	-62	-37.6	178.4	-173.1	-178.2	19.7	0	0	112.6	S178 E183 S184	S178-Q180 VanDerWaalsContact C-N 3.29Å; S178-Q180 PolarHBondContact O-N 3.03Å; Q180-E183 PolarHBondContact O-N 3.3Å; Q180-S184 VanDerWaalsContact O-CB 3.3Å; Q180-S184 WeakPolarHBondContact O-CB 3.49Å; Q180-S184 PolarHBondContact O-N 3.3Å; Q180-S184 PolarHBondContact O-OG 3.2Å
181	T	95.4	Very high	96.5	Very high	41 Å²	41	41.7 Å²	41.7	25%	0.252	22%	0.215	S	C	.	.	H	α-helix	trans	-62.7	-48.8	176.9	-59.6	0	0	0	0	110.1	I153 F177 S178 I179 E183 S184 Y185	I153-T181 HydrophobicContact CD1-CG2 4.12Å; F177-T181 HydrophobicContact CD2-CG2 3.72Å; F177-T181 HydrophobicContact CE2-CG2 4.01Å; F177-T181 HydrophobicContact CG-CG2 4.12Å; S178-T181 WeakPolarHBondContact O-CB 3.2Å; S178-T181 PolarHBondContact O-N 3.47Å; S178-T181 VanDerWaalsContact O-N 3.16Å; S178-T181 WeakPolarHBondContact OG-CB 3.49Å; S178-T181 PolarHBondContact OG-N 3.2Å; S178-T181 VanDerWaalsContact OG-N 3.09Å; S178-T181 PolarHBondContact OG-OG1 3.08Å; I179-T181 VanDerWaalsContact C-N 3.31Å; I179-T181 PolarHBondContact O-N 3.29Å; T181-E183 PolarHBondContact O-N 3.35Å; T181-S184 PolarHBondContact O-N 2.96Å; T181-Y185 HydrophobicContact CG2-CD2 3.87Å; T181-Y185 HydrophobicContact CG2-CE2 3.74Å; T181-Y185 VanDerWaalsContact O-CD2 3.28Å; T181-Y185 WeakPolarHBondContact O-CD2 3.48Å; T181-Y185 PolarHBondContact O-N 3.28Å
182	Y	96.9	Very high	96.3	Very high	51 Å²	51	43 Å²	43	20%	0.2	23%	0.225	C	C	.	.	H	α-helix	trans	-59	-48.5	176.3	174.9	-90.5	0	0	0	111.9	F172 S178 I179 S184 Y185 S186 L196 Y348	F172-Y182 HydrophobicContact CE1-CD2 4.18Å; F172-Y182 HydrophobicContact CE1-CE2 4.08Å; F172-Y182 HydrophobicContact CE2-CD2 4.08Å; F172-Y182 AromaticContact CZ-CD2 3.55Å; F172-Y182 HydrophobicContact CZ-CD2 3.55Å; F172-Y182 AromaticContact CZ-CE2 3.74Å; F172-Y182 HydrophobicContact CZ-CE2 3.74Å; S178-Y182 PolarHBondContact O-N 3.06Å; I179-Y182 PolarHBondContact O-N 3.09Å; Y182-S184 VanDerWaalsContact C-N 3.3Å; Y182-S184 PolarHBondContact O-N 2.77Å; Y182-Y185 PolarHBondContact O-N 3.41Å; Y182-S186 VanDerWaalsContact O-CB 3.28Å; Y182-S186 WeakPolarHBondContact O-CB 3.41Å; Y182-S186 PolarHBondContact O-N 2.79Å; Y182-L196 HydrophobicContact CD2-CD1 3.88Å; Y182-L196 HydrophobicContact CE2-CB 4.08Å; Y182-L196 HydrophobicContact CE2-CD1 3.88Å; Y182-Y348 AromaticContact CD1-CD2 3.84Å; Y182-Y348 HydrophobicContact CD1-CD2 3.84Å; Y182-Y348 AromaticContact CD1-CE2 3.2Å; Y182-Y348 HydrophobicContact CD1-CE2 3.2Å; Y182-Y348 AromaticContact CD1-CZ 3.61Å; Y182-Y348 HydrophobicContact CD2-CD1 4.03Å; Y182-Y348 HydrophobicContact CD2-CD2 4.1Å; Y182-Y348 AromaticContact CD2-CE1 3.76Å; Y182-Y348 HydrophobicContact CD2-CE1 3.76Å; Y182-Y348 AromaticContact CD2-CE2 3.85Å; Y182-Y348 HydrophobicContact CD2-CE2 3.85Å; Y182-Y348 HydrophobicContact CD2-CG 4.19Å; Y182-Y348 AromaticContact CD2-CZ 3.67Å; Y182-Y348 HydrophobicContact CE1-CE1 4.49Å; Y182-Y348 AromaticContact CE1-CE2 3.58Å; Y182-Y348 HydrophobicContact CE1-CE2 3.58Å; Y182-Y348 AromaticContact CE1-CZ 3.52Å; Y182-Y348 VanDerWaalsContact CE1-OH 3.22Å; Y182-Y348 WeakPolarHBondContact CE1-OH 3.37Å; Y182-Y348 HydrophobicContact CE2-CD1 4.43Å; Y182-Y348 AromaticContact CE2-CE1 3.73Å; Y182-Y348 HydrophobicContact CE2-CE1 3.73Å; Y182-Y348 HydrophobicContact CE2-CE2 4.16Å; Y182-Y348 AromaticContact CE2-CZ 3.58Å; Y182-Y348 HydrophobicContact CG-CD1 4.33Å; Y182-Y348 AromaticContact CG-CD2 3.56Å; Y182-Y348 HydrophobicContact CG-CD2 3.56Å; Y182-Y348 HydrophobicContact CG-CE1 4.16Å; Y182-Y348 AromaticContact CG-CE2 3.35Å; Y182-Y348 HydrophobicContact CG-CE2 3.35Å; Y182-Y348 HydrophobicContact CG-CG 4.05Å; Y182-Y348 AromaticContact CG-CZ 3.68Å; Y182-Y348 AromaticContact CZ-CZ 3.5Å; Y182-Y348 PolarHBondContact OH-OH 3.22Å
183	E	95.9	Very high	96.1	Very high	104 Å²	104	49.9 Å²	49.9	49%	0.486	26%	0.256	S	S	.	.	H	α-helix	trans	-59.9	-40.7	178.9	-73.2	176.8	168.3	0	0	111.9	I179 Q180 T181 S186 Y187	I179-E183 HydrophobicContact CG2-CG 4.43Å; I179-E183 WeakPolarHBondContact O-CG 3.44Å; I179-E183 PolarHBondContact O-N 2.95Å; Q180-E183 PolarHBondContact O-N 3.3Å; T181-E183 PolarHBondContact O-N 3.35Å; E183-S186 PolarHBondContact O-N 3.45Å; E183-Y187 VanDerWaalsContact O-CB 3.28Å; E183-Y187 WeakPolarHBondContact O-CB 3.04Å; E183-Y187 PolarHBondContact O-N 3.02Å
184	S	96.6	Very high	95.9	Very high	37 Å²	37	49.8 Å²	49.8	26%	0.259	26%	0.255	S	S	.	.	H	α-helix	trans	-65	-44.8	178.1	-60.3	0	0	0	0	111.8	Q180 T181 Y182 N188	Q180-S184 VanDerWaalsContact O-CB 3.3Å; Q180-S184 WeakPolarHBondContact O-CB 3.49Å; Q180-S184 PolarHBondContact O-N 3.3Å; Q180-S184 PolarHBondContact O-OG 3.2Å; T181-S184 PolarHBondContact O-N 2.96Å; Y182-S184 VanDerWaalsContact C-N 3.3Å; Y182-S184 PolarHBondContact O-N 2.77Å; S184-N188 PolarHBondContact O-N 2.78Å; S184-N188 PolarHBondContact O-ND2 3.28Å
185	Y	97.4	Very high	95.5	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-46.3	173.8	-83.8	-70.9	0	0	0	111.6	I86 I153 I156 F177 T181 Y182 Y187 N188 L189 L196	I86-Y185 HydrophobicContact CD1-CD1 4.18Å; I86-Y185 HydrophobicContact CD1-CE1 3.88Å; I86-Y185 HydrophobicContact CD1-CE2 4.45Å; I153-Y185 HydrophobicContact CD1-CD2 4.45Å; I153-Y185 HydrophobicContact CD1-CE2 4.25Å; I153-Y185 HydrophobicContact CG1-CE2 4.18Å; I153-Y185 HydrophobicContact CG2-CD1 3.7Å; I153-Y185 HydrophobicContact CG2-CD2 3.98Å; I153-Y185 HydrophobicContact CG2-CE1 3.82Å; I153-Y185 HydrophobicContact CG2-CE2 4.09Å; I153-Y185 HydrophobicContact CG2-CG 3.78Å; I156-Y185 HydrophobicContact CB-CE1 4.09Å; I156-Y185 VanDerWaalsContact CD1-OH 3.27Å; I156-Y185 WeakPolarHBondContact CD1-OH 3.31Å; I156-Y185 HydrophobicContact CG2-CE1 3.8Å; F177-Y185 HydrophobicContact CD2-CD2 4.35Å; F177-Y185 AromaticContact CE2-CD2 3.53Å; F177-Y185 HydrophobicContact CE2-CD2 3.53Å; F177-Y185 AromaticContact CE2-CE2 3.78Å; F177-Y185 HydrophobicContact CE2-CE2 3.78Å; F177-Y185 HydrophobicContact CE2-CG 4.43Å; F177-Y185 HydrophobicContact CZ-CD2 4.19Å; F177-Y185 HydrophobicContact CZ-CE2 4Å; T181-Y185 HydrophobicContact CG2-CD2 3.87Å; T181-Y185 HydrophobicContact CG2-CE2 3.74Å; T181-Y185 VanDerWaalsContact O-CD2 3.28Å; T181-Y185 WeakPolarHBondContact O-CD2 3.48Å; T181-Y185 PolarHBondContact O-N 3.28Å; Y182-Y185 PolarHBondContact O-N 3.41Å; Y185-Y187 VanDerWaalsContact C-N 3.33Å; Y185-Y187 PolarHBondContact O-N 2.77Å; Y185-N188 PolarHBondContact O-N 2.95Å; Y185-L189 HydrophobicContact CD1-CD1 4.19Å; Y185-L189 VanDerWaalsContact O-CB 3.31Å; Y185-L189 WeakPolarHBondContact O-CB 3.43Å; Y185-L189 VanDerWaalsContact O-CG 3.26Å; Y185-L189 WeakPolarHBondContact O-CG 3.43Å; Y185-L189 PolarHBondContact O-N 3.29Å; Y185-L196 VanDerWaalsContact CB-CD1 3.48Å; Y185-L196 HydrophobicContact CG-CD1 4.5Å
186	S	95.8	Very high	95.3	Very high	33 Å²	33	55.2 Å²	55.2	23%	0.231	28%	0.283	C	S	.	.	H	α-helix	trans	-57.9	-45.4	179.6	-174.5	0	0	0	0	111.5	Y182 E183 N188 L189 V190	Y182-S186 VanDerWaalsContact O-CB 3.28Å; Y182-S186 WeakPolarHBondContact O-CB 3.41Å; Y182-S186 PolarHBondContact O-N 2.79Å; E183-S186 PolarHBondContact O-N 3.45Å; S186-N188 VanDerWaalsContact C-N 3.3Å; S186-N188 PolarHBondContact O-N 3.13Å; S186-L189 PolarHBondContact O-N 3.36Å; S186-V190 VanDerWaalsContact O-CB 3.28Å; S186-V190 WeakPolarHBondContact O-CB 3.28Å; S186-V190 WeakPolarHBondContact O-CG2 3.45Å; S186-V190 PolarHBondContact O-N 3Å
187	Y	96.6	Very high	95.3	Very high	182 Å²	182	58.3 Å²	58.3	71%	0.714	30%	0.296	S	S	*	.	H	α-helix	trans	-56.4	-41.3	177.5	177.8	-97.2	0	0	0	112.9	E183 Y185 P191	E183-Y187 VanDerWaalsContact O-CB 3.28Å; E183-Y187 WeakPolarHBondContact O-CB 3.04Å; E183-Y187 PolarHBondContact O-N 3.02Å; Y185-Y187 VanDerWaalsContact C-N 3.33Å; Y185-Y187 PolarHBondContact O-N 2.77Å; Y187-P191 WeakPolarHBondContact O-CD 3.47Å; Y187-P191 WeakPolarHBondContact O-CG 3.44Å
188	N	96.1	Very high	95.3	Very high	42 Å²	42	60 Å²	60	23%	0.225	31%	0.309	C	S	.	.	H	α-helix	trans	-82.2	-34.3	-178.7	-69.7	-76.6	0	0	0	113	A157 S184 Y185 S186	A157-N188 HydrophobicContact CB-CB 3.45Å; A157-N188 VanDerWaalsContact CB-CB 3.45Å; S184-N188 PolarHBondContact O-N 2.78Å; S184-N188 PolarHBondContact O-ND2 3.28Å; Y185-N188 PolarHBondContact O-N 2.95Å; S186-N188 VanDerWaalsContact C-N 3.3Å; S186-N188 PolarHBondContact O-N 3.13Å
189	L	95.2	Very high	95.4	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-88.6	-35.5	-172.1	-66.9	172.6	0	0	0	114.1	A157 L160 I161 I170 Y185 S186 A192 K193 L194 L196	A157-L189 HydrophobicContact CB-CD2 3.96Å; A157-L189 HydrophobicContact CB-CG 4.23Å; L160-L189 HydrophobicContact CB-CD2 4.13Å; L160-L189 HydrophobicContact CD1-CD2 4.39Å; I161-L189 HydrophobicContact CD1-CD2 4.5Å; I161-L189 HydrophobicContact CG1-CD2 4.12Å; I170-L189 HydrophobicContact CD1-CD1 3.73Å; I170-L189 HydrophobicContact CD1-CD2 3.9Å; I170-L189 HydrophobicContact CD1-CG 4.39Å; Y185-L189 HydrophobicContact CD1-CD1 4.19Å; Y185-L189 VanDerWaalsContact O-CB 3.31Å; Y185-L189 WeakPolarHBondContact O-CB 3.43Å; Y185-L189 VanDerWaalsContact O-CG 3.26Å; Y185-L189 WeakPolarHBondContact O-CG 3.43Å; Y185-L189 PolarHBondContact O-N 3.29Å; S186-L189 PolarHBondContact O-N 3.36Å; L189-A192 CarbonylContact O-C 3.57Å; L189-A192 WeakPolarHBondContact O-CA 3.22Å; L189-A192 WeakPolarHBondContact O-CB 3.18Å; L189-A192 PolarHBondContact O-N 2.93Å; L189-K193 PolarHBondContact O-N 2.97Å; L189-L194 HydrophobicContact CB-CB 4.14Å; L189-L194 HydrophobicContact CD2-CB 4.41Å; L189-L194 HydrophobicContact CD2-CD1 4.06Å; L189-L194 PolarHBondContact O-N 3.46Å; L189-L196 HydrophobicContact CD1-CD2 3.78Å; L189-L196 HydrophobicContact CD1-CG 4.03Å
190	V	94.3	Very high	95.4	Very high	87 Å²	87	61.7 Å²	61.7	53%	0.527	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-59.1	-41	-177.8	168.1	0	0	0	0	113.2	S186 A192 K193	S186-V190 VanDerWaalsContact O-CB 3.28Å; S186-V190 WeakPolarHBondContact O-CB 3.28Å; S186-V190 WeakPolarHBondContact O-CG2 3.45Å; S186-V190 PolarHBondContact O-N 3Å; V190-A192 PolarHBondContact O-N 3.24Å; V190-K193 WeakPolarHBondContact O-CA 3.35Å; V190-K193 PolarHBondContact O-N 2.88Å
191	P	94.4	Very high	95.5	Very high	105 Å²	105	61.3 Å²	61.3	68%	0.682	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-58.8	-27.8	175	-26.1	36.2	0	0	0	113.8	Y187 K193	Y187-P191 WeakPolarHBondContact O-CD 3.47Å; Y187-P191 WeakPolarHBondContact O-CG 3.44Å; P191-K193 VanDerWaalsContact C-N 3.29Å
192	A	93.7	Very high	95.6	Very high	26 Å²	26	59.7 Å²	59.7	22%	0.215	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-88.1	8.4	174.9	0	0	0	0	0	113.4	I161 L189 V190 L194	I161-A192 HydrophobicContact CB-CB 4.5Å; I161-A192 HydrophobicContact CD1-CB 3.88Å; I161-A192 HydrophobicContact CG1-CB 3.67Å; I161-A192 HydrophobicContact CG2-CB 4.06Å; L189-A192 CarbonylContact O-C 3.57Å; L189-A192 WeakPolarHBondContact O-CA 3.22Å; L189-A192 WeakPolarHBondContact O-CB 3.18Å; L189-A192 PolarHBondContact O-N 2.93Å; V190-A192 PolarHBondContact O-N 3.24Å; A192-L194 HydrophobicContact CB-CD1 4.41Å; A192-L194 HydrophobicContact CB-CG 4.42Å; A192-L194 PolarHBondContact O-N 3.23Å
193	K	93.4	Very high	95.7	Very high	146 Å²	146	57.3 Å²	57.3	64%	0.635	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	13.6	-176.7	-51.8	174.5	-174.1	167.1	0	114.9	L189 V190 P191	L189-K193 PolarHBondContact O-N 2.97Å; V190-K193 WeakPolarHBondContact O-CA 3.35Å; V190-K193 PolarHBondContact O-N 2.88Å; P191-K193 VanDerWaalsContact C-N 3.29Å
194	L	93.7	Very high	95.8	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	28%	0.277	C	S	.	.			trans	-82.6	139.1	174.8	-65.4	174.5	0	0	0	110.1	I161 V164 S165 I170 L189 A192	I161-L194 HydrophobicContact CB-CD1 4.43Å; I161-L194 HydrophobicContact CG1-CD1 3.84Å; V164-L194 HydrophobicContact CG2-CD1 3.86Å; V164-L194 HydrophobicContact CG2-CD2 3.72Å; V164-L194 HydrophobicContact CG2-CG 4.47Å; S165-L194 WeakPolarHBondContact O-CD2 3.3Å; I170-L194 HydrophobicContact CD1-CB 3.98Å; I170-L194 HydrophobicContact CD1-CD1 4.11Å; I170-L194 HydrophobicContact CD1-CG 4.49Å; L189-L194 HydrophobicContact CB-CB 4.14Å; L189-L194 HydrophobicContact CD2-CB 4.41Å; L189-L194 HydrophobicContact CD2-CD1 4.06Å; L189-L194 PolarHBondContact O-N 3.46Å; A192-L194 HydrophobicContact CB-CD1 4.41Å; A192-L194 HydrophobicContact CB-CG 4.42Å; A192-L194 PolarHBondContact O-N 3.23Å
195	M	89.8	Confident	95.8	Very high	121 Å²	121	52.7 Å²	52.7	60%	0.596	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.5	-179.1	-63.6	-165.7	-58.8	0	0	111.5	I170	I170-M195 PolarHBondContact N-O 3.41Å
196	L	95.8	Very high	95.8	Very high	26 Å²	26	58.5 Å²	58.5	14%	0.136	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.1	167	-70.3	173.7	0	0	0	109.6	I86 I170 F172 Y182 Y185 L189	I86-L196 HydrophobicContact CD1-CD2 4.22Å; I170-L196 HydrophobicContact CB-CD2 4.11Å; I170-L196 HydrophobicContact CG2-CD2 3.91Å; I170-L196 CarbonylContact O-C 3.45Å; I170-L196 WeakPolarHBondContact O-CA 3.3Å; F172-L196 HydrophobicContact CD1-CB 4.05Å; F172-L196 HydrophobicContact CD1-CD2 4.34Å; F172-L196 HydrophobicContact CE1-CB 3.78Å; Y182-L196 HydrophobicContact CD2-CD1 3.88Å; Y182-L196 HydrophobicContact CE2-CB 4.08Å; Y182-L196 HydrophobicContact CE2-CD1 3.88Å; Y185-L196 VanDerWaalsContact CB-CD1 3.48Å; Y185-L196 HydrophobicContact CG-CD1 4.5Å; L189-L196 HydrophobicContact CD1-CD2 3.78Å; L189-L196 HydrophobicContact CD1-CG 4.03Å
197	K	97	Very high	95.8	Very high	71 Å²	71	58 Å²	58	31%	0.309	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	112	176.9	-176	175.4	-179.6	175.9	0	109.9	V80 V82 N169 I170 G171 F172 I199	V80-K197 PolarHBondContact O-NZ 3.26Å; V82-K197 HydrophobicContact CG1-CB 4.33Å; V82-K197 HydrophobicContact CG1-CD 3.78Å; N169-K197 HydrophobicContact CB-CB 4.16Å; N169-K197 HydrophobicContact CB-CD 4.26Å; I170-K197 PolarHBondContact O-N 2.75Å; G171-K197 WeakPolarHBondContact CA-O 3.43Å; F172-K197 WeakPolarHBondContact CD1-O 3.28Å; F172-K197 PolarHBondContact N-O 3.47Å; F172-K197 VanDerWaalsContact N-O 3.11Å; K197-I199 HydrophobicContact CG-CG1 4.23Å; K197-I199 PolarHBondContact O-N 3.25Å
198	S	97.4	Very high	95.8	Very high	38 Å²	38	50.5 Å²	50.5	27%	0.266	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	120.5	175.1	-179.7	0	0	0	0	110.5	P174 E352	P174-S198 WeakPolarHBondContact CB-OG 3.33Å; P174-S198 VanDerWaalsContact CG-OG 3.29Å; P174-S198 WeakPolarHBondContact CG-OG 3.45Å; S198-E352 WeakPolarHBondContact CB-OE2 3.19Å; S198-E352 PolarHBondContact OG-OE1 3.04Å; S198-E352 PolarHBondContact OG-OE2 2.96Å
199	I	97.9	Very high	95.7	Very high	13 Å²	13	55.2 Å²	55.2	7%	0.067	30%	0.295	C	S	.	.			trans	-129.9	89.8	179.4	-57	169.7	0	0	0	108.8	V80 V82 Y85 F172 D173 P174 K197 D201 L203	V80-I199 HydrophobicContact CB-CD1 4.47Å; V80-I199 HydrophobicContact CG2-CD1 3.85Å; V82-I199 HydrophobicContact CG1-CD1 3.83Å; Y85-I199 HydrophobicContact CE2-CD1 4.47Å; F172-I199 PolarHBondContact O-N 3.01Å; D173-I199 WeakPolarHBondContact CA-O 3.42Å; P174-I199 VanDerWaalsContact CD-C 3.47Å; P174-I199 WeakPolarHBondContact CD-O 2.78Å; K197-I199 HydrophobicContact CG-CG1 4.23Å; K197-I199 PolarHBondContact O-N 3.25Å; I199-D201 WeakPolarHBondContact CG2-O 3.22Å; I199-D201 PolarHBondContact O-N 2.9Å; I199-L203 HydrophobicContact CG2-CD2 4.33Å
200	P	96.1	Very high	95.7	Very high	45 Å²	45	60.5 Å²	60.5	29%	0.292	32%	0.323	S	S	.	.	S	Bend	trans	-60.6	-28.3	-179.1	-24.8	33.7	0	0	0	114.9	P174 F175 N202	P174-P200 HydrophobicContact CG-CB 4.3Å; P174-P200 HydrophobicContact CG-CG 3.95Å; F175-P200 HydrophobicContact CE2-CB 4.27Å; P200-N202 PolarHBondContact O-N 3.04Å
201	D	95.6	Very high	95.8	Very high	111 Å²	111	58.9 Å²	58.9	59%	0.594	31%	0.308	S	S	*	.	S	Bend	trans	-83	94.9	174.5	-64.6	-26.1	0	0	0	109.5	I199 L203 R206	I199-D201 WeakPolarHBondContact CG2-O 3.22Å; I199-D201 PolarHBondContact O-N 2.9Å; D201-L203 PolarHBondContact O-N 3.26Å; D201-R206 IonicContact OD2-NH2 2.75Å
202	N	97.8	Very high	95.8	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.043	29%	0.291	C	S	.	.			trans	-52.6	127.9	-175.3	-164.8	-69.3	0	0	0	112.8	R104 D173 P200 V204 D205	R104-N202 WeakPolarHBondContact CD-ND2 3.39Å; D173-N202 WeakPolarHBondContact CB-ND2 3.36Å; D173-N202 WeakPolarHBondContact OD2-CB 3.22Å; D173-N202 PolarHBondContact OD2-ND2 3.24Å; P200-N202 PolarHBondContact O-N 3.04Å; N202-V204 WeakPolarHBondContact OD1-CA 3.42Å; N202-V204 VanDerWaalsContact OD1-CB 3.25Å; N202-V204 WeakPolarHBondContact OD1-CB 3.29Å; N202-V204 PolarHBondContact OD1-N 3.31Å; N202-D205 HydrophobicContact CB-CB 4.19Å; N202-D205 PolarHBondContact O-N 3.5Å; N202-D205 PolarHBondContact OD1-N 3.47Å
203	L	98.4	Very high	95.8	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-74.7	-26.8	-176.6	-59.6	-175.7	0	0	0	113.1	L73 M77 V80 V82 Y85 I199 D201 D205 R206	L73-L203 HydrophobicContact CD1-CB 3.72Å; M77-L203 HydrophobicContact CG-CD1 3.92Å; V80-L203 HydrophobicContact CG2-CD1 3.95Å; V80-L203 HydrophobicContact CG2-CD2 4.27Å; V82-L203 HydrophobicContact CG2-CD1 4.48Å; Y85-L203 HydrophobicContact CD1-CB 4.42Å; Y85-L203 HydrophobicContact CD2-CD1 3.77Å; Y85-L203 HydrophobicContact CD2-CG 4.37Å; Y85-L203 HydrophobicContact CE1-CB 3.94Å; Y85-L203 HydrophobicContact CE1-CG 4.39Å; Y85-L203 HydrophobicContact CE2-CB 4.36Å; Y85-L203 HydrophobicContact CE2-CD1 3.81Å; Y85-L203 HydrophobicContact CE2-CG 3.91Å; Y85-L203 HydrophobicContact CG-CD1 4.18Å; Y85-L203 PolarHBondContact OH-N 3.03Å; I199-L203 HydrophobicContact CG2-CD2 4.33Å; D201-L203 PolarHBondContact O-N 3.26Å; L203-D205 VanDerWaalsContact C-N 3.33Å; L203-R206 PolarHBondContact O-N 2.99Å
204	V	98.4	Very high	95.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.5	-39.8	174.8	-179.2	0	0	0	0	110.1	L73 Y85 I87 R104 F107 M108 N202 R206 V207 W208	L73-V204 HydrophobicContact CD1-CG2 4.48Å; Y85-V204 HydrophobicContact CE1-CG2 4.3Å; I87-V204 HydrophobicContact CD1-CG2 3.79Å; I87-V204 HydrophobicContact CG1-CG2 3.97Å; I87-V204 HydrophobicContact CG2-CG2 4.22Å; R104-V204 HydrophobicContact CB-CB 4.24Å; R104-V204 HydrophobicContact CB-CG1 3.92Å; R104-V204 HydrophobicContact CB-CG2 4.45Å; R104-V204 HydrophobicContact CG-CB 4.28Å; R104-V204 HydrophobicContact CG-CG1 4.09Å; F107-V204 HydrophobicContact CD1-CG1 3.67Å; F107-V204 HydrophobicContact CE1-CG1 4.15Å; M108-V204 HydrophobicContact CG-CB 4.42Å; M108-V204 HydrophobicContact CG-CG1 3.72Å; M108-V204 HydrophobicContact CG-CG2 3.8Å; M108-V204 HydrophobicContact SD-CG1 3.95Å; M108-V204 HydrophobicContact SD-CG2 4.32Å; N202-V204 WeakPolarHBondContact OD1-CA 3.42Å; N202-V204 VanDerWaalsContact OD1-CB 3.25Å; N202-V204 WeakPolarHBondContact OD1-CB 3.29Å; N202-V204 PolarHBondContact OD1-N 3.31Å; V204-R206 PolarHBondContact O-N 3.3Å; V204-V207 VanDerWaalsContact O-CG2 3.22Å; V204-V207 WeakPolarHBondContact O-CG2 3.18Å; V204-V207 PolarHBondContact O-N 3.35Å; V204-W208 HydrophobicContact CG1-CE3 4.46Å; V204-W208 WeakPolarHBondContact O-CB 3.13Å; V204-W208 PolarHBondContact O-N 2.75Å
205	D	97.5	Very high	95.3	Very high	45 Å²	45	59.1 Å²	59.1	24%	0.241	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-28	179.4	-65.9	-3.9	0	0	0	112	R104 N202 L203 V207 R211	R104-D205 IonicContact CZ-OD1 2.91Å; R104-D205 IonicContact CZ-OD2 3.92Å; R104-D205 IonicContact NE-OD1 2.59Å; R104-D205 PolarHBondContact NE-OD1 3.12Å; R104-D205 IonicContact NE-OD2 2.98Å; R104-D205 IonicContact NH2-OD1 2.69Å; R104-D205 PolarHBondContact NH2-OD1 3.05Å; R104-D205 IonicContact NH2-OD2 2.66Å; R104-D205 PolarHBondContact NH2-OD2 3.24Å; N202-D205 HydrophobicContact CB-CB 4.19Å; N202-D205 PolarHBondContact O-N 3.5Å; N202-D205 PolarHBondContact OD1-N 3.47Å; L203-D205 VanDerWaalsContact C-N 3.33Å; D205-V207 VanDerWaalsContact C-N 3.33Å; D205-R211 IonicContact OD1-CZ 2.87Å; D205-R211 IonicContact OD1-NE 3.51Å; D205-R211 IonicContact OD1-NH1 2.76Å; D205-R211 IonicContact OD1-NH2 3.44Å; D205-R211 IonicContact OD2-CZ 3.66Å; D205-R211 IonicContact OD2-NH1 2.93Å; D205-R211 PolarHBondContact OD2-NH1 2.69Å; D205-R211 IonicContact OD2-NH2 3.48Å
206	R	95.9	Very high	95.2	Very high	125 Å²	125	58.9 Å²	58.9	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-72	-25	177.1	-61.3	-179.6	-177.9	-171	-2.2	113.7	D201 L203 V204	D201-R206 IonicContact OD2-NH2 2.75Å; L203-R206 PolarHBondContact O-N 2.99Å; V204-R206 PolarHBondContact O-N 3.3Å
207	V	96.4	Very high	95.1	Very high	24 Å²	24	61.8 Å²	61.8	15%	0.145	33%	0.334	C	S	.	.	H	α-helix	trans	-106.3	-9.2	-177	-56.4	0	0	0	0	112.6	A72 A76 F107 M108 V204 D205 T209	A72-V207 HydrophobicContact CB-CB 3.95Å; A72-V207 HydrophobicContact CB-CG1 3.62Å; A76-V207 HydrophobicContact CB-CG1 4.49Å; F107-V207 HydrophobicContact CE1-CG2 4.19Å; M108-V207 HydrophobicContact SD-CG2 4.25Å; V204-V207 VanDerWaalsContact O-CG2 3.22Å; V204-V207 WeakPolarHBondContact O-CG2 3.18Å; V204-V207 PolarHBondContact O-N 3.35Å; D205-V207 VanDerWaalsContact C-N 3.33Å; V207-T209 PolarHBondContact O-N 3.38Å
208	W	97.2	Very high	95.1	Very high	24 Å²	24	62.6 Å²	62.6	9%	0.091	34%	0.341	C	S	.	.			trans	-89	81.5	178.4	-165.5	-5.2	0	0	0	111.4	P100 R101 R104 F107 V204 D210 R211 P212	P100-W208 VanDerWaalsContact O-CH2 3.25Å; P100-W208 WeakPolarHBondContact O-CH2 3.44Å; R101-W208 WeakPolarHBondContact O-CZ3 3.29Å; R104-W208 HydrophobicContact CG-CE3 4.4Å; R104-W208 HydrophobicContact CG-CZ3 4.06Å; F107-W208 HydrophobicContact CB-CD2 4.06Å; F107-W208 HydrophobicContact CB-CE3 4.07Å; F107-W208 HydrophobicContact CB-CH2 3.91Å; F107-W208 HydrophobicContact CB-CZ2 3.92Å; F107-W208 HydrophobicContact CB-CZ3 4Å; F107-W208 HydrophobicContact CD1-CB 4.19Å; F107-W208 HydrophobicContact CD1-CD2 4.04Å; F107-W208 HydrophobicContact CD1-CE3 4.27Å; F107-W208 HydrophobicContact CD1-CG 4.03Å; F107-W208 AromaticContact CD2-CD1 3.48Å; F107-W208 VanDerWaalsContact CD2-CD1 3.48Å; F107-W208 AromaticContact CD2-CD2 3.74Å; F107-W208 HydrophobicContact CD2-CD2 3.74Å; F107-W208 AromaticContact CD2-CE2 3.5Å; F107-W208 AromaticContact CD2-CG 3.72Å; F107-W208 HydrophobicContact CD2-CG 3.72Å; F107-W208 HydrophobicContact CD2-CZ2 4.14Å; F107-W208 AromaticContact CD2-NE1 3.34Å; F107-W208 VanDerWaalsContact CD2-NE1 3.34Å; F107-W208 HydrophobicContact CE1-CB 3.8Å; F107-W208 HydrophobicContact CE1-CD2 4.46Å; F107-W208 AromaticContact CE1-CG 3.96Å; F107-W208 HydrophobicContact CE1-CG 3.96Å; F107-W208 HydrophobicContact CE2-CB 4.19Å; F107-W208 AromaticContact CE2-CD1 3.24Å; F107-W208 HydrophobicContact CE2-CD2 4.17Å; F107-W208 AromaticContact CE2-CG 3.64Å; F107-W208 HydrophobicContact CE2-CG 3.64Å; F107-W208 AromaticContact CE2-NE1 3.57Å; F107-W208 AromaticContact CG-CD2 3.65Å; F107-W208 HydrophobicContact CG-CD2 3.65Å; F107-W208 AromaticContact CG-CE2 3.76Å; F107-W208 HydrophobicContact CG-CE3 4.04Å; F107-W208 AromaticContact CG-CG 3.91Å; F107-W208 HydrophobicContact CG-CG 3.91Å; F107-W208 HydrophobicContact CG-CZ2 4.22Å; F107-W208 HydrophobicContact CG-CZ3 4.47Å; F107-W208 HydrophobicContact CZ-CB 3.8Å; F107-W208 AromaticContact CZ-CD1 3.75Å; F107-W208 AromaticContact CZ-CG 3.77Å; F107-W208 HydrophobicContact CZ-CG 3.77Å; V204-W208 HydrophobicContact CG1-CE3 4.46Å; V204-W208 WeakPolarHBondContact O-CB 3.13Å; V204-W208 PolarHBondContact O-N 2.75Å; W208-D210 VanDerWaalsContact C-N 3.3Å; W208-D210 PolarHBondContact NE1-OD1 2.84Å; W208-D210 PolarHBondContact O-N 2.9Å; W208-R211 HydrophobicContact CB-CB 4.18Å; W208-R211 HydrophobicContact CD2-CB 3.8Å; W208-R211 HydrophobicContact CD2-CG 3.8Å; W208-R211 HydrophobicContact CE3-CB 4.31Å; W208-R211 HydrophobicContact CE3-CG 3.82Å; W208-R211 HydrophobicContact CG-CB 3.71Å; W208-R211 HydrophobicContact CG-CG 4.22Å; W208-R211 HydrophobicContact CZ3-CG 4.24Å; W208-R211 WeakPolarHBondContact O-CB 3.39Å; W208-R211 PolarHBondContact O-N 3.46Å; W208-P212 HydrophobicContact CZ2-CG 4.38Å
209	T	93.7	Very high	95.1	Very high	140 Å²	140	61.1 Å²	61.1	86%	0.859	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.4	-173	52.4	0	0	0	0	114.8	V207	V207-T209 PolarHBondContact O-N 3.38Å
210	D	95	Very high	94.9	Very high	112 Å²	112	64 Å²	64	60%	0.599	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	29.9	-179.1	63.7	-24.5	0	0	0	112	W208	W208-D210 VanDerWaalsContact C-N 3.3Å; W208-D210 PolarHBondContact NE1-OD1 2.84Å; W208-D210 PolarHBondContact O-N 2.9Å
211	R	96.4	Very high	94.9	Very high	54 Å²	54	66.3 Å²	66.3	20%	0.204	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-54.5	127.4	179.2	-172.8	177.6	178.4	-156.3	1.7	110.9	R101 D102 D205 W208	R101-R211 PolarHBondContact O-NE 3.4Å; R101-R211 PolarHBondContact O-NH2 2.94Å; D102-R211 IonicContact OD1-NH2 2.78Å; D102-R211 PolarHBondContact OD1-NH2 3.23Å; D205-R211 IonicContact OD1-CZ 2.87Å; D205-R211 IonicContact OD1-NE 3.51Å; D205-R211 IonicContact OD1-NH1 2.76Å; D205-R211 IonicContact OD1-NH2 3.44Å; D205-R211 IonicContact OD2-CZ 3.66Å; D205-R211 IonicContact OD2-NH1 2.93Å; D205-R211 PolarHBondContact OD2-NH1 2.69Å; D205-R211 IonicContact OD2-NH2 3.48Å; W208-R211 HydrophobicContact CB-CB 4.18Å; W208-R211 HydrophobicContact CD2-CB 3.8Å; W208-R211 HydrophobicContact CD2-CG 3.8Å; W208-R211 HydrophobicContact CE3-CB 4.31Å; W208-R211 HydrophobicContact CE3-CG 3.82Å; W208-R211 HydrophobicContact CG-CB 3.71Å; W208-R211 HydrophobicContact CG-CG 4.22Å; W208-R211 HydrophobicContact CZ3-CG 4.24Å; W208-R211 WeakPolarHBondContact O-CB 3.39Å; W208-R211 PolarHBondContact O-N 3.46Å
212	P	95.8	Very high	94.9	Very high	52 Å²	52	61.5 Å²	61.5	34%	0.338	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-56.2	141.7	179	-26.3	33.3	0	0	0	112.8	P100 R101 W208	P100-P212 HydrophobicContact CB-CB 4.47Å; P100-P212 HydrophobicContact CB-CG 4.21Å; R101-P212 HydrophobicContact CB-CB 4.13Å; R101-P212 WeakPolarHBondContact CB-O 3.22Å; W208-P212 HydrophobicContact CZ2-CG 4.38Å
213	L	92.1	Very high	94.7	Very high	156 Å²	156	63.3 Å²	63.3	82%	0.817	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-74.3	160.1	173.6	-61.4	177.9	0	0	0	110.8
214	I	88.8	Confident	94.4	Very high	36 Å²	36	68.6 Å²	68.6	19%	0.185	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-67.2	136.5	167	-58.9	174.3	0	0	0	107.8	R101 Y278 H293	R101-I214 VanDerWaalsContact NE-CG1 3.34Å; I214-Y278 HydrophobicContact CD1-CD2 4.14Å; I214-Y278 HydrophobicContact CD1-CE2 4.41Å; I214-Y278 HydrophobicContact CG1-CD2 4.43Å; I214-Y278 HydrophobicContact CG1-CE2 4.26Å; I214-Y278 HydrophobicContact CG2-CD2 4.26Å; I214-Y278 HydrophobicContact CG2-CE2 4.35Å; I214-H293 WeakPolarHBondContact CD1-CE1 3.42Å; I214-H293 WeakPolarHBondContact CD1-NE2 3.26Å
215	P	87.5	Confident	94.2	Very high	41 Å²	41	74.4 Å²	74.4	27%	0.266	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-53	132.9	172.9	-26.2	34.9	0	0	0	111.2	D217 R296	P215-D217 PolarHBondContact O-N 3.4Å; P215-D217 VanDerWaalsContact O-N 3.16Å; P215-R296 PolarHBondContact O-NE 2.72Å
216	P	89.4	Confident	94	Very high	116 Å²	116	72.6 Å²	72.6	75%	0.753	38%	0.375	S	S	*	.			trans	-78.6	5.4	-175.1	34.4	-37.4	0	0	0	113.1
217	D	93.5	Very high	93.8	Very high	87 Å²	87	67.9 Å²	67.9	47%	0.465	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-60.3	137.5	-176	-63.7	-56.1	0	0	0	111.2	P215 S269 R296	P215-D217 PolarHBondContact O-N 3.4Å; P215-D217 VanDerWaalsContact O-N 3.16Å; D217-S269 WeakPolarHBondContact CB-OG 3.46Å; D217-S269 PolarHBondContact OD2-OG 2.92Å; D217-R296 PolarHBondContact O-NE 3Å; D217-R296 PolarHBondContact O-NH2 3.26Å
218	N	96.4	Very high	93.7	Very high	87 Å²	87	71 Å²	71	47%	0.465	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-70.1	152.4	174.6	-71	-39.6	0	0	0	111.2	T298	N218-T298 HydrophobicContact CB-CG2 3.79Å
219	L	96.5	Very high	93.5	Very high	7 Å²	7	72.1 Å²	72.1	4%	0.037	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-66	154.4	169.5	-52.5	-172.7	0	0	0	110.5	F277 V292 R296 V297 L301	L219-F277 HydrophobicContact CD1-CD1 4.41Å; L219-F277 HydrophobicContact CD1-CD2 3.76Å; L219-F277 HydrophobicContact CD1-CE2 4Å; L219-F277 HydrophobicContact CD1-CG 3.99Å; L219-F277 HydrophobicContact CD1-CZ 4.43Å; L219-F277 HydrophobicContact CD2-CB 3.38Å; L219-F277 HydrophobicContact CD2-CD1 4.04Å; L219-F277 HydrophobicContact CD2-CD2 4.13Å; L219-F277 HydrophobicContact CD2-CG 3.59Å; L219-F277 HydrophobicContact CG-CG 4.43Å; L219-V292 HydrophobicContact CD1-CG2 4.07Å; L219-R296 HydrophobicContact CG-CB 4.48Å; L219-R296 PolarHBondContact N-O 3.03Å; L219-V297 HydrophobicContact CD1-CG2 4.19Å; L219-L301 HydrophobicContact CB-CD1 3.66Å; L219-L301 VanDerWaalsContact O-CD1 3.31Å; L219-L301 WeakPolarHBondContact O-CD1 3.48Å
220	I	95.4	Very high	93.5	Very high	73 Å²	73	68.1 Å²	68.1	37%	0.374	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.1	174.8	67.7	174	0	0	0	110.7	L266 R267	I220-L266 CarbonylContact O-C 3.54Å; I220-L266 VanDerWaalsContact O-CA 3.28Å; I220-L266 WeakPolarHBondContact O-CA 3.21Å; I220-R267 HydrophobicContact CD1-CB 4.2Å; I220-R267 HydrophobicContact CG1-CB 3.74Å; I220-R267 PolarHBondContact N-O 2.95Å; I220-R267 PolarHBondContact O-N 2.88Å
221	R	95.1	Very high	93.5	Very high	95 Å²	95	62.8 Å²	62.8	36%	0.358	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	141.9	167.7	-179.3	-163.1	159.9	172.9	0.4	109.2	D224 L266 L301 Y304	R221-D224 IonicContact CZ-OD1 3.09Å; R221-D224 IonicContact NE-OD1 2.76Å; R221-D224 IonicContact NH2-OD1 3.86Å; R221-D224 PolarHBondContact NH2-OD1 2.55Å; R221-D224 IonicContact NH2-OD2 2.67Å; R221-L266 HydrophobicContact CB-CD2 3.99Å; R221-L266 HydrophobicContact CG-CD2 4.44Å; R221-L301 HydrophobicContact CB-CD2 3.74Å; R221-Y304 HydrophobicContact CB-CE1 4.45Å; R221-Y304 VanDerWaalsContact CD-CE2 3.48Å; R221-Y304 VanDerWaalsContact CD-CZ 3.44Å; R221-Y304 HydrophobicContact CG-CD1 4.16Å; R221-Y304 HydrophobicContact CG-CE1 3.69Å; R221-Y304 HydrophobicContact CG-CE2 4.28Å; R221-Y304 VanDerWaalsContact CZ-CD2 3.46Å
222	L	95.1	Very high	93.4	Very high	10 Å²	10	62.5 Å²	62.5	5%	0.052	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-61.2	139.5	168.9	-68.3	-177.3	0	0	0	111.9	V226 V227 N265 R267 Y547	L222-V226 HydrophobicContact CB-CG2 3.95Å; L222-V226 HydrophobicContact CD1-CG2 4.31Å; L222-V226 HydrophobicContact CD2-CG2 4.35Å; L222-V226 HydrophobicContact CG-CG2 4.45Å; L222-V227 HydrophobicContact CB-CG2 3.51Å; L222-V227 HydrophobicContact CD1-CG2 3.88Å; L222-V227 HydrophobicContact CG-CG2 4.4Å; L222-N265 HydrophobicContact CD1-CB 4.47Å; L222-N265 PolarHBondContact N-O 3.08Å; L222-R267 HydrophobicContact CD2-CG 3.83Å; L222-R267 HydrophobicContact CG-CG 4.38Å; L222-Y547 HydrophobicContact CD2-CD1 3.67Å; L222-Y547 HydrophobicContact CD2-CE1 4.18Å
223	P	93.8	Very high	93.3	Very high	46 Å²	46	65 Å²	65	30%	0.299	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-68.8	147.2	176.9	28.1	-33.1	0	0	0	111.5	R225 V226	P223-R225 HydrophobicContact CB-CG 4.35Å; P223-R225 HydrophobicContact CG-CG 4.34Å; P223-R225 PolarHBondContact O-N 3.07Å; P223-V226 HydrophobicContact CG-CG1 4.28Å; P223-V226 HydrophobicContact CG-CG2 3.93Å; P223-V226 VanDerWaalsContact O-CG2 3.28Å; P223-V226 WeakPolarHBondContact O-CG2 3.47Å; P223-V226 PolarHBondContact O-N 3.26Å
224	D	92.4	Very high	93.5	Very high	110 Å²	110	57.8 Å²	57.8	59%	0.588	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-57.8	-28.1	-175.1	-66.3	-19.9	0	0	0	113.9	R221 V226 V227	R221-D224 IonicContact CZ-OD1 3.09Å; R221-D224 IonicContact NE-OD1 2.76Å; R221-D224 IonicContact NH2-OD1 3.86Å; R221-D224 PolarHBondContact NH2-OD1 2.55Å; R221-D224 IonicContact NH2-OD2 2.67Å; D224-V226 PolarHBondContact O-N 3.02Å; D224-V226 VanDerWaalsContact O-N 3.15Å; D224-V227 PolarHBondContact O-N 3.2Å; D224-V227 VanDerWaalsContact O-N 3.17Å; D224-V227 VanDerWaalsContact O-O 3.13Å
225	R	93.6	Very high	93.9	Very high	122 Å²	122	56.1 Å²	56.1	46%	0.46	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-62.9	-18.9	177.3	75.2	-179.4	171.6	95	-7.3	114.4	P223 D428	P223-R225 HydrophobicContact CB-CG 4.35Å; P223-R225 HydrophobicContact CG-CG 4.34Å; P223-R225 PolarHBondContact O-N 3.07Å; R225-D428 IonicContact CZ-OD1 3.3Å; R225-D428 IonicContact CZ-OD2 2.92Å; R225-D428 VanDerWaalsContact CZ-OD2 3.29Å; R225-D428 IonicContact NH1-OD2 2.78Å; R225-D428 PolarHBondContact NH1-OD2 3.28Å; R225-D428 IonicContact NH2-OD1 2.8Å; R225-D428 PolarHBondContact NH2-OD1 3.04Å; R225-D428 IonicContact NH2-OD2 3.74Å; R225-D428 PolarHBondContact NH2-OD2 2.87Å
226	V	93.4	Very high	94.2	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.042	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-109.8	2.8	179.4	-50.8	0	0	0	0	112.6	L222 P223 D224 I382 D475	L222-V226 HydrophobicContact CB-CG2 3.95Å; L222-V226 HydrophobicContact CD1-CG2 4.31Å; L222-V226 HydrophobicContact CD2-CG2 4.35Å; L222-V226 HydrophobicContact CG-CG2 4.45Å; P223-V226 HydrophobicContact CG-CG1 4.28Å; P223-V226 HydrophobicContact CG-CG2 3.93Å; P223-V226 VanDerWaalsContact O-CG2 3.28Å; P223-V226 WeakPolarHBondContact O-CG2 3.47Å; P223-V226 PolarHBondContact O-N 3.26Å; D224-V226 PolarHBondContact O-N 3.02Å; D224-V226 VanDerWaalsContact O-N 3.15Å; V226-I382 HydrophobicContact CB-CD1 3.71Å; V226-I382 HydrophobicContact CG1-CD1 4.27Å; V226-D475 HydrophobicContact CB-CB 4.46Å; V226-D475 HydrophobicContact CG1-CB 3.67Å
227	V	92.3	Very high	94.6	Very high	27 Å²	27	57.7 Å²	57.7	16%	0.164	28%	0.281	C	S	.	.			trans	-122.4	114.3	-175.2	178.6	0	0	0	0	109.4	L222 D224 R229 N265	L222-V227 HydrophobicContact CB-CG2 3.51Å; L222-V227 HydrophobicContact CD1-CG2 3.88Å; L222-V227 HydrophobicContact CG-CG2 4.4Å; D224-V227 PolarHBondContact O-N 3.2Å; D224-V227 VanDerWaalsContact O-N 3.17Å; D224-V227 VanDerWaalsContact O-O 3.13Å; V227-R229 WeakPolarHBondContact CG1-O 3.21Å; V227-N265 WeakPolarHBondContact CG1-ND2 3.34Å; V227-N265 HydrophobicContact CG2-CB 4.45Å
228	E	93.4	Very high	94.8	Very high	88 Å²	88	53.6 Å²	53.6	41%	0.411	26%	0.258	S	S	.	.	S	Bend	trans	-88.1	-48	169.1	-175.7	173.9	154.6	0	0	111.1	T378	E228-T378 HydrophobicContact CB-CG2 4.32Å; E228-T378 WeakPolarHBondContact OE2-CB 3.13Å; E228-T378 PolarHBondContact OE2-N 3.02Å; E228-T378 PolarHBondContact OE2-OG1 3.25Å
229	R	94.1	Very high	94.9	Very high	48 Å²	48	50 Å²	50	18%	0.181	24%	0.238	C	C	.	.	S	Bend	trans	-88.8	109.2	178	-66.1	178.1	-73.7	178	-3.8	111	V227 K234 N265 V374 D376 E379	V227-R229 WeakPolarHBondContact CG1-O 3.21Å; R229-K234 HydrophobicContact CB-CG 3.98Å; R229-K234 WeakPolarHBondContact O-CE 3.49Å; R229-N265 PolarHBondContact O-ND2 2.87Å; R229-V374 PolarHBondContact NH2-O 2.81Å; R229-D376 IonicContact CZ-OD2 3.38Å; R229-D376 IonicContact NE-OD2 3.85Å; R229-D376 PolarHBondContact NE-OD2 2.8Å; R229-D376 IonicContact NH2-OD2 2.97Å; R229-D376 PolarHBondContact NH2-OD2 3.49Å; R229-E379 IonicContact CZ-OE2 3.64Å; R229-E379 IonicContact NH2-OE1 3.7Å; R229-E379 IonicContact NH2-OE2 3.24Å; R229-E379 PolarHBondContact NH2-OE2 2.85Å
230	T	94.2	Very high	94.9	Very high	56 Å²	56	52.5 Å²	52.5	34%	0.344	25%	0.254	S	S	.	.			trans	-59.2	158.2	168.8	65.7	0	0	0	0	110.9	Q232 M233 K234	T230-Q232 PolarHBondContact O-N 3.22Å; T230-M233 HydrophobicContact CG2-SD 4.25Å; T230-M233 PolarHBondContact O-N 2.7Å; T230-M233 VanDerWaalsContact O-N 3.14Å; T230-M233 VanDerWaalsContact OG1-CG 3.23Å; T230-M233 WeakPolarHBondContact OG1-CG 3.48Å; T230-M233 PolarHBondContact OG1-N 3.13Å; T230-M233 PolarHBondContact OG1-SD 3.23Å; T230-K234 WeakPolarHBondContact O-CG 3.42Å; T230-K234 PolarHBondContact O-N 2.71Å; T230-K234 VanDerWaalsContact O-N 3.08Å
231	W	94.6	Very high	95.1	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-33.4	179.3	70.8	-94.8	0	0	0	111.8	K234 V235 L263 F264 N265 I288 Y304 L305 H314 V316	W231-K234 PolarHBondContact O-N 3.05Å; W231-V235 HydrophobicContact CE3-CG2 3.94Å; W231-V235 HydrophobicContact CZ3-CG2 4.25Å; W231-V235 WeakPolarHBondContact O-CG2 3.5Å; W231-V235 PolarHBondContact O-N 3.48Å; W231-L263 WeakPolarHBondContact CA-O 3.29Å; W231-L263 WeakPolarHBondContact CB-O 3.49Å; W231-F264 HydrophobicContact CB-CD1 4.47Å; W231-F264 HydrophobicContact CD2-CD1 4.43Å; W231-F264 HydrophobicContact CE3-CD1 4.15Å; W231-F264 HydrophobicContact CE3-CE1 4.26Å; W231-N265 PolarHBondContact N-ND2 2.98Å; W231-I288 HydrophobicContact CZ3-CD1 3.81Å; W231-Y304 AromaticContact CD1-CE1 3.82Å; W231-Y304 AromaticContact CD1-CE2 3.59Å; W231-Y304 AromaticContact CD1-CZ 3.29Å; W231-Y304 AromaticContact NE1-CE2 3.8Å; W231-Y304 AromaticContact NE1-CZ 3.85Å; W231-Y304 PolarHBondContact NE1-O 3.42Å; W231-L305 WeakPolarHBondContact CZ2-O 3.39Å; W231-H314 WeakPolarHBondContact CH2-O 3.09Å; W231-V316 HydrophobicContact CH2-CG2 3.91Å; W231-V316 HydrophobicContact CZ2-CG2 4.49Å; W231-V316 HydrophobicContact CZ3-CG2 3.98Å
232	Q	93.4	Very high	95.2	Very high	47 Å²	47	46.9 Å²	46.9	22%	0.22	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-44.9	175.1	-64	90	-22.6	0	0	111.6	T230 K234 V235 E236 T308	T230-Q232 PolarHBondContact O-N 3.22Å; Q232-K234 VanDerWaalsContact C-N 3.28Å; Q232-K234 PolarHBondContact O-N 2.84Å; Q232-V235 PolarHBondContact O-N 2.9Å; Q232-E236 WeakPolarHBondContact O-CB 3.46Å; Q232-E236 PolarHBondContact O-N 2.89Å; Q232-T308 PolarHBondContact NE2-OG1 3.4Å
233	M	94.5	Very high	95.3	Very high	104 Å²	104	49.9 Å²	49.9	51%	0.512	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-39.8	176	-70.5	165.7	71.9	0	0	111.3	T230 H237	T230-M233 HydrophobicContact CG2-SD 4.25Å; T230-M233 PolarHBondContact O-N 2.7Å; T230-M233 VanDerWaalsContact O-N 3.14Å; T230-M233 VanDerWaalsContact OG1-CG 3.23Å; T230-M233 WeakPolarHBondContact OG1-CG 3.48Å; T230-M233 PolarHBondContact OG1-N 3.13Å; T230-M233 PolarHBondContact OG1-SD 3.23Å; M233-H237 VanDerWaalsContact O-CB 3.32Å; M233-H237 WeakPolarHBondContact O-CB 3.36Å; M233-H237 PolarHBondContact O-N 3.15Å
234	K	96.6	Very high	95.5	Very high	5 Å²	5	53.2 Å²	53.2	2%	0.022	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-47.8	176.1	-64.4	178.9	-178.8	-169.9	0	111.3	R229 T230 W231 Q232 E236 H237 I238 W262 L263 N265	R229-K234 HydrophobicContact CB-CG 3.98Å; R229-K234 WeakPolarHBondContact O-CE 3.49Å; T230-K234 WeakPolarHBondContact O-CG 3.42Å; T230-K234 PolarHBondContact O-N 2.71Å; T230-K234 VanDerWaalsContact O-N 3.08Å; W231-K234 PolarHBondContact O-N 3.05Å; Q232-K234 VanDerWaalsContact C-N 3.28Å; Q232-K234 PolarHBondContact O-N 2.84Å; K234-E236 PolarHBondContact O-N 3.49Å; K234-H237 WeakPolarHBondContact O-CB 3.28Å; K234-H237 PolarHBondContact O-N 3.36Å; K234-I238 VanDerWaalsContact O-CG1 3.31Å; K234-I238 WeakPolarHBondContact O-CG1 3.46Å; K234-I238 PolarHBondContact O-N 2.9Å; K234-W262 HydrophobicContact CB-CH2 4.12Å; K234-W262 HydrophobicContact CB-CZ3 4.05Å; K234-W262 HydrophobicContact CD-CD2 3.98Å; K234-W262 HydrophobicContact CD-CE3 3.94Å; K234-W262 HydrophobicContact CD-CH2 3.78Å; K234-W262 HydrophobicContact CD-CZ2 3.8Å; K234-W262 HydrophobicContact CD-CZ3 3.85Å; K234-W262 WeakPolarHBondContact CD-O 3.16Å; K234-W262 HydrophobicContact CG-CH2 3.79Å; K234-W262 HydrophobicContact CG-CZ2 4.12Å; K234-W262 HydrophobicContact CG-CZ3 4.1Å; K234-W262 PolarHBondContact NZ-O 2.67Å; K234-L263 HydrophobicContact CB-CD1 4Å; K234-N265 WeakPolarHBondContact CE-OD1 3.1Å; K234-N265 PolarHBondContact NZ-OD1 3.07Å
235	V	95.9	Very high	95.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-57.6	-47.2	176.5	163.8	0	0	0	0	111.6	W231 Q232 H237 I238 R239 L263 L283 I288	W231-V235 HydrophobicContact CE3-CG2 3.94Å; W231-V235 HydrophobicContact CZ3-CG2 4.25Å; W231-V235 WeakPolarHBondContact O-CG2 3.5Å; W231-V235 PolarHBondContact O-N 3.48Å; Q232-V235 PolarHBondContact O-N 2.9Å; V235-H237 VanDerWaalsContact C-N 3.32Å; V235-H237 PolarHBondContact O-N 2.87Å; V235-I238 PolarHBondContact O-N 2.94Å; V235-R239 WeakPolarHBondContact O-CG 3.43Å; V235-R239 PolarHBondContact O-N 2.87Å; V235-L263 HydrophobicContact CG2-CD1 3.87Å; V235-L263 HydrophobicContact CG2-CD2 4.32Å; V235-L263 HydrophobicContact CG2-CG 4.07Å; V235-L283 HydrophobicContact CG1-CD1 3.88Å; V235-I288 HydrophobicContact CG1-CD1 3.99Å; V235-I288 HydrophobicContact CG2-CD1 4.11Å
236	E	95.2	Very high	96	Very high	96 Å²	96	48.9 Å²	48.9	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-64.6	-39	179.9	-171.9	56.2	-150.2	0	0	111.8	Q232 K234 I238 R239 T240	Q232-E236 WeakPolarHBondContact O-CB 3.46Å; Q232-E236 PolarHBondContact O-N 2.89Å; K234-E236 PolarHBondContact O-N 3.49Å; E236-I238 PolarHBondContact O-N 3.49Å; E236-R239 PolarHBondContact O-N 3.27Å; E236-T240 WeakPolarHBondContact O-CB 3.23Å; E236-T240 PolarHBondContact O-N 3.11Å; E236-T240 PolarHBondContact O-OG1 2.86Å
237	H	97.1	Very high	96.1	Very high	95 Å²	95	55.8 Å²	55.8	44%	0.44	28%	0.283	S	S	.	.	H	α-helix	trans	-60.2	-44.9	173.7	-172	88	0	0	0	111.8	M233 K234 V235 T240 Q241	M233-H237 VanDerWaalsContact O-CB 3.32Å; M233-H237 WeakPolarHBondContact O-CB 3.36Å; M233-H237 PolarHBondContact O-N 3.15Å; K234-H237 WeakPolarHBondContact O-CB 3.28Å; K234-H237 PolarHBondContact O-N 3.36Å; V235-H237 VanDerWaalsContact C-N 3.32Å; V235-H237 PolarHBondContact O-N 2.87Å; H237-T240 WeakPolarHBondContact O-CB 3.5Å; H237-T240 PolarHBondContact O-N 2.68Å; H237-Q241 PolarHBondContact CD2-NE2 3.42Å; H237-Q241 PolarHBondContact NE2-NE2 2.97Å; H237-Q241 PolarHBondContact O-N 2.96Å
238	I	98.1	Very high	96.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-68.4	-38.9	178.5	-59.6	-64.2	0	0	0	111.3	K234 V235 E236 T240 Q241 M242 V252 L263 L283 P367 V368	K234-I238 VanDerWaalsContact O-CG1 3.31Å; K234-I238 WeakPolarHBondContact O-CG1 3.46Å; K234-I238 PolarHBondContact O-N 2.9Å; V235-I238 PolarHBondContact O-N 2.94Å; E236-I238 PolarHBondContact O-N 3.49Å; I238-T240 VanDerWaalsContact C-N 3.31Å; I238-T240 PolarHBondContact O-N 3Å; I238-Q241 WeakPolarHBondContact O-CB 3.4Å; I238-Q241 PolarHBondContact O-N 2.63Å; I238-M242 WeakPolarHBondContact O-CG 3.4Å; I238-M242 PolarHBondContact O-N 2.8Å; I238-V252 HydrophobicContact CG2-CG2 4.37Å; I238-L263 HydrophobicContact CG1-CD1 4.38Å; I238-L283 HydrophobicContact CB-CD2 3.96Å; I238-L283 HydrophobicContact CG2-CD2 3.67Å; I238-P367 HydrophobicContact CD1-CB 4.1Å; I238-P367 HydrophobicContact CG2-CB 4.39Å; I238-P367 HydrophobicContact CG2-CG 4.05Å; I238-V368 HydrophobicContact CD1-CB 4.49Å; I238-V368 HydrophobicContact CD1-CG2 3.79Å; I238-V368 HydrophobicContact CG1-CG2 3.89Å; I238-V368 HydrophobicContact CG2-CG2 4.26Å
239	R	97.6	Very high	96.6	Very high	11 Å²	11	56.1 Å²	56.1	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-34.7	173.5	-75.1	176.8	173.8	177.9	-2.5	112.7	V235 E236 M242 T243 L283 T284 L285 E287 H314	V235-R239 WeakPolarHBondContact O-CG 3.43Å; V235-R239 PolarHBondContact O-N 2.87Å; E236-R239 PolarHBondContact O-N 3.27Å; R239-M242 HydrophobicContact CG-SD 4.38Å; R239-M242 WeakPolarHBondContact O-CB 3.45Å; R239-M242 PolarHBondContact O-N 3.24Å; R239-T243 WeakPolarHBondContact O-CB 3.16Å; R239-T243 PolarHBondContact O-N 3.24Å; R239-T243 PolarHBondContact O-OG1 2.69Å; R239-L283 HydrophobicContact CG-CD1 4.5Å; R239-T284 PolarHBondContact NE-O 3.03Å; R239-T284 PolarHBondContact NH2-O 3.28Å; R239-T284 VanDerWaalsContact NH2-O 3.13Å; R239-L285 WeakPolarHBondContact CD-O 3.22Å; R239-L285 PolarHBondContact NE-O 2.89Å; R239-L285 PolarHBondContact NH1-O 3.37Å; R239-E287 PolarHBondContact NH2-O 2.68Å; R239-H314 PolarHBondContact NH1-CE1 3.28Å; R239-H314 PolarHBondContact NH1-ND1 3.14Å
240	T	97.8	Very high	96.7	Very high	60 Å²	60	55.4 Å²	55.4	37%	0.368	28%	0.282	S	S	.	.	H	α-helix	trans	-62.3	-47.7	171	-58.7	0	0	0	0	109.9	E236 H237 I238 M242 T243 D244	E236-T240 WeakPolarHBondContact O-CB 3.23Å; E236-T240 PolarHBondContact O-N 3.11Å; E236-T240 PolarHBondContact O-OG1 2.86Å; H237-T240 WeakPolarHBondContact O-CB 3.5Å; H237-T240 PolarHBondContact O-N 2.68Å; I238-T240 VanDerWaalsContact C-N 3.31Å; I238-T240 PolarHBondContact O-N 3Å; T240-M242 VanDerWaalsContact C-N 3.32Å; T240-M242 PolarHBondContact O-N 3.04Å; T240-T243 CarbonylContact O-C 3.53Å; T240-T243 PolarHBondContact O-N 2.78Å; T240-T243 VanDerWaalsContact O-N 3.09Å; T240-D244 WeakPolarHBondContact CG2-OD2 3.49Å; T240-D244 WeakPolarHBondContact O-CB 3.39Å; T240-D244 PolarHBondContact O-N 3.26Å
241	Q	98.2	Very high	96.9	Very high	50 Å²	50	52.8 Å²	52.8	23%	0.234	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-39.6	174.7	-67.4	-174.9	25.3	0	0	112.8	H237 I238 N245 T371	H237-Q241 PolarHBondContact CD2-NE2 3.42Å; H237-Q241 PolarHBondContact NE2-NE2 2.97Å; H237-Q241 PolarHBondContact O-N 2.96Å; I238-Q241 WeakPolarHBondContact O-CB 3.4Å; I238-Q241 PolarHBondContact O-N 2.63Å; Q241-N245 VanDerWaalsContact O-CB 3.28Å; Q241-N245 WeakPolarHBondContact O-CB 3.36Å; Q241-N245 PolarHBondContact O-N 3Å; Q241-T371 PolarHBondContact NE2-OG1 3.06Å
242	M	98.2	Very high	97.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.3	-43.8	173.7	-66.6	166.6	64.1	0	0	111.7	I238 R239 T240 P249 T250 A251 V252 L285 W340	I238-M242 WeakPolarHBondContact O-CG 3.4Å; I238-M242 PolarHBondContact O-N 2.8Å; R239-M242 HydrophobicContact CG-SD 4.38Å; R239-M242 WeakPolarHBondContact O-CB 3.45Å; R239-M242 PolarHBondContact O-N 3.24Å; T240-M242 VanDerWaalsContact C-N 3.32Å; T240-M242 PolarHBondContact O-N 3.04Å; M242-P249 HydrophobicContact CB-CG 4.21Å; M242-P249 HydrophobicContact CG-CG 4.38Å; M242-P249 WeakPolarHBondContact O-CD 3.37Å; M242-T250 VanDerWaalsContact CE-C 3.45Å; M242-T250 WeakPolarHBondContact CE-O 3.48Å; M242-A251 VanDerWaalsContact CE-CA 3.5Å; M242-V252 HydrophobicContact CE-CG2 4.35Å; M242-V252 HydrophobicContact CG-CG2 3.62Å; M242-V252 HydrophobicContact SD-CB 4.45Å; M242-V252 HydrophobicContact SD-CG2 3.66Å; M242-L285 HydrophobicContact CB-CD2 4.24Å; M242-L285 HydrophobicContact CE-CD2 3.89Å; M242-L285 HydrophobicContact CE-CG 4.25Å; M242-W340 HydrophobicContact CG-CE3 4.41Å
243	T	97.6	Very high	97.3	Very high	74 Å²	74	50.6 Å²	50.6	45%	0.454	26%	0.256	S	S	.	.	H	α-helix	trans	-71.1	-36.5	-178.3	-57.6	0	0	0	0	111.6	R239 T240 K248	R239-T243 WeakPolarHBondContact O-CB 3.16Å; R239-T243 PolarHBondContact O-N 3.24Å; R239-T243 PolarHBondContact O-OG1 2.69Å; T240-T243 CarbonylContact O-C 3.53Å; T240-T243 PolarHBondContact O-N 2.78Å; T240-T243 VanDerWaalsContact O-N 3.09Å; T243-K248 WeakPolarHBondContact O-CD 3.43Å; T243-K248 WeakPolarHBondContact O-CE 3.15Å; T243-K248 PolarHBondContact O-NZ 3.25Å
244	D	97.9	Very high	97.5	Very high	116 Å²	116	45.6 Å²	45.6	62%	0.62	23%	0.232	S	C	*	.	H	α-helix	trans	-80	-24.4	179.9	-72.5	-15.1	0	0	0	112.5	T240	T240-D244 WeakPolarHBondContact CG2-OD2 3.49Å; T240-D244 WeakPolarHBondContact O-CB 3.39Å; T240-D244 PolarHBondContact O-N 3.26Å
245	N	97.9	Very high	97.5	Very high	29 Å²	29	45.4 Å²	45.4	16%	0.155	23%	0.23	C	C	.	.	S	Bend	trans	-55.3	129.4	176.9	-172.2	-57.9	0	0	0	110.7	Q241 Y247 K248 P249	Q241-N245 VanDerWaalsContact O-CB 3.28Å; Q241-N245 WeakPolarHBondContact O-CB 3.36Å; Q241-N245 PolarHBondContact O-N 3Å; N245-Y247 PolarHBondContact O-N 2.78Å; N245-Y247 WeakPolarHBondContact OD1-CB 3.42Å; N245-Y247 WeakPolarHBondContact OD1-CD2 3.35Å; N245-Y247 PolarHBondContact OD1-N 3.09Å; N245-K248 VanDerWaalsContact O-CD 3.28Å; N245-K248 WeakPolarHBondContact O-CD 3.27Å; N245-K248 PolarHBondContact O-N 3.16Å; N245-P249 HydrophobicContact CB-CG 4.46Å
246	P	97.4	Very high	97.6	Very high	112 Å²	112	45.5 Å²	45.5	73%	0.727	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-27.1	-178.5	-27.9	35.2	0	0	0	114.6
247	Y	96.8	Very high	97.7	Very high	152 Å²	152	41.1 Å²	41.1	60%	0.596	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-4.7	-177.6	-55.4	-72.8	0	0	0	114	N245 K338 L361	N245-Y247 PolarHBondContact O-N 2.78Å; N245-Y247 WeakPolarHBondContact OD1-CB 3.42Å; N245-Y247 WeakPolarHBondContact OD1-CD2 3.35Å; N245-Y247 PolarHBondContact OD1-N 3.09Å; Y247-K338 WeakPolarHBondContact O-CD 3.44Å; Y247-K338 PolarHBondContact O-NZ 2.62Å; Y247-L361 HydrophobicContact CD2-CD1 3.94Å; Y247-L361 HydrophobicContact CG-CD1 4.13Å
248	K	96.7	Very high	97.6	Very high	119 Å²	119	37.6 Å²	37.6	52%	0.517	20%	0.196	S	C	.	.			trans	47.7	59.5	174.9	-51.9	-65.9	175.6	-165.9	0	113.4	T243 N245	T243-K248 WeakPolarHBondContact O-CD 3.43Å; T243-K248 WeakPolarHBondContact O-CE 3.15Å; T243-K248 PolarHBondContact O-NZ 3.25Å; N245-K248 VanDerWaalsContact O-CD 3.28Å; N245-K248 WeakPolarHBondContact O-CD 3.27Å; N245-K248 PolarHBondContact O-N 3.16Å
249	P	98	Very high	97.5	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.013	20%	0.197	C	C	.	.			trans	-58.9	142.2	173.3	28.4	-35.2	0	0	0	111	M242 N245 K338 W340 L361	M242-P249 HydrophobicContact CB-CG 4.21Å; M242-P249 HydrophobicContact CG-CG 4.38Å; M242-P249 WeakPolarHBondContact O-CD 3.37Å; N245-P249 HydrophobicContact CB-CG 4.46Å; P249-K338 CarbonylContact C-O 3.57Å; P249-W340 HydrophobicContact CB-CB 3.77Å; P249-W340 HydrophobicContact CG-CB 4.15Å; P249-W340 HydrophobicContact CG-CD2 4.36Å; P249-W340 HydrophobicContact CG-CE3 3.82Å; P249-L361 HydrophobicContact CB-CD2 3.83Å; P249-L361 HydrophobicContact CG-CD2 3.75Å
250	T	97.2	Very high	97.5	Very high	34 Å²	34	37.3 Å²	37.3	21%	0.209	20%	0.195	C	C	.	.	S	Bend	trans	-92.1	-17.2	178.9	65.3	0	0	0	0	112.7	M242 T284 L285 Y331 G336 V337 K338	M242-T250 VanDerWaalsContact CE-C 3.45Å; M242-T250 WeakPolarHBondContact CE-O 3.48Å; T250-T284 WeakPolarHBondContact O-CA 3.36Å; T250-L285 PolarHBondContact O-N 3.25Å; T250-Y331 PolarHBondContact OG1-OH 3.11Å; T250-G336 WeakPolarHBondContact CG2-O 3.4Å; T250-V337 WeakPolarHBondContact OG1-CA 3.3Å; T250-K338 PolarHBondContact N-O 3.28Å; T250-K338 PolarHBondContact OG1-N 3.37Å; T250-K338 PolarHBondContact OG1-O 3.4Å
251	A	98.2	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	155.1	175.7	0	0	0	0	0	112.3	M242 L282 L283 T284 Y331 K338 V339 W340	M242-A251 VanDerWaalsContact CE-CA 3.5Å; A251-L282 HydrophobicContact CB-CD1 3.9Å; A251-L282 HydrophobicContact CB-CG 4.36Å; A251-L283 CarbonylContact C-O 3.58Å; A251-L283 WeakPolarHBondContact CA-O 3.41Å; A251-T284 HydrophobicContact CB-CG2 4.16Å; A251-Y331 HydrophobicContact CB-CE1 3.95Å; A251-K338 PolarHBondContact N-O 2.93Å; A251-K338 VanDerWaalsContact N-O 3.15Å; A251-V339 HydrophobicContact CB-CG2 4.42Å; A251-W340 PolarHBondContact O-N 3.11Å
252	V	98.6	Very high	97.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.2	164.1	174.3	0	0	0	0	107.7	I238 M242 L254 L283 W340 P367	I238-V252 HydrophobicContact CG2-CG2 4.37Å; M242-V252 HydrophobicContact CE-CG2 4.35Å; M242-V252 HydrophobicContact CG-CG2 3.62Å; M242-V252 HydrophobicContact SD-CB 4.45Å; M242-V252 HydrophobicContact SD-CG2 3.66Å; V252-L254 HydrophobicContact CG1-CD2 3.53Å; V252-L254 HydrophobicContact CG1-CG 4.29Å; V252-L283 PolarHBondContact N-O 3Å; V252-L283 PolarHBondContact O-N 3.3Å; V252-W340 WeakPolarHBondContact CA-O 3.31Å; V252-W340 HydrophobicContact CG2-CB 4.14Å; V252-W340 HydrophobicContact CG2-CD2 4.42Å; V252-W340 HydrophobicContact CG2-CE3 3.88Å; V252-P367 HydrophobicContact CG1-CG 3.99Å; V252-P367 HydrophobicContact CG2-CG 3.83Å
253	L	98.7	Very high	97.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.5	173.6	175.3	70.8	0	0	0	109.3	T281 L282 L328 V339 W340 I341 L350 I354	L253-T281 WeakPolarHBondContact CA-O 3.31Å; L253-L282 HydrophobicContact CB-CD1 4.03Å; L253-L282 HydrophobicContact CD1-CD1 4.11Å; L253-L328 HydrophobicContact CD2-CD2 3.98Å; L253-V339 HydrophobicContact CB-CG1 3.8Å; L253-W340 PolarHBondContact N-O 2.91Å; L253-I341 HydrophobicContact CB-CG2 4.08Å; L253-I341 HydrophobicContact CD2-CG2 4.26Å; L253-L350 HydrophobicContact CD1-CD1 4.31Å; L253-L350 HydrophobicContact CD2-CB 3.88Å; L253-L350 HydrophobicContact CD2-CD1 4.04Å; L253-L350 HydrophobicContact CG-CD1 4.47Å; L253-I354 HydrophobicContact CD2-CD1 4.3Å
254	L	98.5	Very high	97.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.4	179.2	-49.8	177.9	0	0	0	109.2	V252 E259 L263 T281 V368	V252-L254 HydrophobicContact CG1-CD2 3.53Å; V252-L254 HydrophobicContact CG1-CG 4.29Å; L254-E259 HydrophobicContact CB-CB 4.08Å; L254-E259 HydrophobicContact CD1-CB 4.15Å; L254-E259 HydrophobicContact CD2-CB 4.32Å; L254-E259 WeakPolarHBondContact CD2-OE1 3.32Å; L254-E259 HydrophobicContact CG-CB 4.41Å; L254-L263 HydrophobicContact CD1-CD2 3.86Å; L254-T281 HydrophobicContact CD1-CG2 4.23Å; L254-T281 PolarHBondContact N-O 2.84Å; L254-T281 PolarHBondContact O-N 3.07Å; L254-T281 VanDerWaalsContact O-N 3.16Å; L254-V368 HydrophobicContact CD1-CB 4.36Å; L254-V368 HydrophobicContact CD1-CG1 4.45Å; L254-V368 HydrophobicContact CD1-CG2 3.82Å; L254-V368 HydrophobicContact CD2-CB 3.94Å; L254-V368 HydrophobicContact CD2-CG2 3.69Å; L254-V368 HydrophobicContact CG-CG2 4.42Å
255	S	96.9	Very high	97.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.			trans	-120	-26.7	-176.7	-61.3	0	0	0	0	112.8	H93 E259 Y345	H93-S255 PolarHBondContact ND1-O 3.44Å; S255-E259 PolarHBondContact N-OE2 2.94Å; S255-Y345 WeakPolarHBondContact CB-O 3.47Å
256	A	96.4	Very high	97.4	Very high	3 Å²	3	22.2 Å²	22.2	3%	0.025	11%	0.11	C	C	.	.	S	Bend	trans	-75.2	141.3	173.6	0	0	0	0	0	109.9	D258 E259 Y345	A256-D258 WeakPolarHBondContact CB-OD1 3.44Å; A256-D258 PolarHBondContact O-N 3.17Å; A256-E259 HydrophobicContact CB-CG 3.96Å; A256-E259 WeakPolarHBondContact CB-OE2 3.11Å; A256-E259 PolarHBondContact N-OE2 2.75Å; A256-E259 PolarHBondContact O-N 2.77Å; A256-Y345 HydrophobicContact CB-CD1 4.34Å; A256-Y345 HydrophobicContact CB-CG 4.19Å
257	L	97.1	Very high	97.4	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-65	-33.8	-177.7	-58.2	-176.1	0	0	0	112.4	H93 T260 A261 V271 F276 F277 Y278	H93-L257 HydrophobicContact CB-CD1 4.37Å; H93-L257 HydrophobicContact CB-CD2 3.97Å; H93-L257 HydrophobicContact CB-CG 3.76Å; H93-L257 VanDerWaalsContact CD2-CD2 3.47Å; H93-L257 WeakPolarHBondContact CD2-CD2 3.46Å; H93-L257 VanDerWaalsContact CE1-CD2 3.42Å; H93-L257 WeakPolarHBondContact CE1-CD2 3.49Å; H93-L257 VanDerWaalsContact ND1-CD2 3.29Å; H93-L257 WeakPolarHBondContact ND1-CD2 3.36Å; L257-T260 PolarHBondContact O-N 2.69Å; L257-A261 WeakPolarHBondContact O-CB 3.19Å; L257-A261 PolarHBondContact O-N 3.04Å; L257-V271 HydrophobicContact CD1-CG2 3.92Å; L257-F276 HydrophobicContact CB-CB 3.79Å; L257-F276 HydrophobicContact CB-CD2 4.17Å; L257-F276 HydrophobicContact CB-CG 4.05Å; L257-F276 HydrophobicContact CD1-CB 4.02Å; L257-F277 WeakPolarHBondContact CD2-O 3.29Å; L257-Y278 HydrophobicContact CD1-CD1 4.29Å
258	D	95.6	Very high	97.3	Very high	22 Å²	22	10.6 Å²	10.6	12%	0.118	5%	0.054	C	C	.	.	H	α-helix	trans	-70	-34.3	-177.1	79.5	-36.3	0	0	0	110.9	A256 W262 F276 K372 F548	A256-D258 WeakPolarHBondContact CB-OD1 3.44Å; A256-D258 PolarHBondContact O-N 3.17Å; D258-W262 VanDerWaalsContact O-CB 3.32Å; D258-W262 WeakPolarHBondContact O-CB 3.23Å; D258-W262 PolarHBondContact O-N 2.79Å; D258-F276 HydrophobicContact CB-CD1 4.23Å; D258-F276 HydrophobicContact CB-CE1 3.55Å; D258-F276 HydrophobicContact CB-CE2 4.05Å; D258-F276 HydrophobicContact CB-CZ 3.45Å; D258-F276 VanDerWaalsContact CB-CZ 3.45Å; D258-K372 WeakPolarHBondContact OD2-CE 3.49Å; D258-K372 IonicContact OD2-NZ 3.77Å; D258-K372 PolarHBondContact OD2-NZ 2.93Å; D258-F548 VanDerWaalsContact CA-CE1 3.46Å; D258-F548 HydrophobicContact CB-CD1 3.88Å; D258-F548 HydrophobicContact CB-CE1 3.36Å; D258-F548 HydrophobicContact CB-CZ 4.13Å; D258-F548 WeakPolarHBondContact O-CE1 3.45Å; D258-F548 WeakPolarHBondContact O-CZ 3.25Å
259	E	97	Very high	97.2	Very high	4 Å²	4	7.4 Å²	7.4	2%	0.019	5%	0.047	C	C	.	.	H	α-helix	trans	-59.1	-51.4	172.6	-65.3	176.3	109	0	0	112.4	L254 S255 A256 W262 L263 S366 V368 L369	L254-E259 HydrophobicContact CB-CB 4.08Å; L254-E259 HydrophobicContact CD1-CB 4.15Å; L254-E259 HydrophobicContact CD2-CB 4.32Å; L254-E259 WeakPolarHBondContact CD2-OE1 3.32Å; L254-E259 HydrophobicContact CG-CB 4.41Å; S255-E259 PolarHBondContact N-OE2 2.94Å; A256-E259 HydrophobicContact CB-CG 3.96Å; A256-E259 WeakPolarHBondContact CB-OE2 3.11Å; A256-E259 PolarHBondContact N-OE2 2.75Å; A256-E259 PolarHBondContact O-N 2.77Å; E259-W262 PolarHBondContact O-N 2.69Å; E259-L263 WeakPolarHBondContact O-CB 3.49Å; E259-L263 PolarHBondContact O-N 2.76Å; E259-S366 WeakPolarHBondContact OE1-CB 3.19Å; E259-S366 PolarHBondContact OE1-OG 2.81Å; E259-V368 HydrophobicContact CB-CB 4.38Å; E259-V368 HydrophobicContact CB-CG1 3.85Å; E259-V368 HydrophobicContact CG-CB 4.43Å; E259-V368 HydrophobicContact CG-CG1 4.2Å; E259-L369 HydrophobicContact CG-CD1 4.37Å; E259-L369 HydrophobicContact CG-CD2 3.5Å; E259-L369 HydrophobicContact CG-CG 3.51Å; E259-L369 WeakPolarHBondContact OE1-CG 3.03Å
260	T	97.6	Very high	97	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-66.5	-44.5	-177.8	-64.9	0	0	0	0	110.8	L257 W262 L263 F264 F277 S279 T281 L290	L257-T260 PolarHBondContact O-N 2.69Å; T260-W262 VanDerWaalsContact C-N 3.31Å; T260-W262 PolarHBondContact O-N 3.16Å; T260-L263 PolarHBondContact O-N 3.06Å; T260-F264 HydrophobicContact CG2-CD2 3.88Å; T260-F264 HydrophobicContact CG2-CE2 4.01Å; T260-F264 VanDerWaalsContact O-CD2 3.31Å; T260-F264 WeakPolarHBondContact O-CD2 3.33Å; T260-F264 PolarHBondContact O-N 3.19Å; T260-F277 HydrophobicContact CG2-CE2 4.08Å; T260-F277 HydrophobicContact CG2-CZ 4.1Å; T260-S279 WeakPolarHBondContact CB-OG 3.35Å; T260-S279 VanDerWaalsContact CG2-OG 3.23Å; T260-S279 WeakPolarHBondContact CG2-OG 3.41Å; T260-T281 WeakPolarHBondContact CG2-OG1 3.48Å; T260-T281 PolarHBondContact OG1-OG1 3.29Å; T260-L290 HydrophobicContact CG2-CD1 3.5Å; T260-L290 VanDerWaalsContact CG2-CD1 3.5Å
261	A	97.6	Very high	96.9	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-60.2	-39.2	176.6	0	0	0	0	0	112.4	L257 N265 L266 R267 F277 F548	L257-A261 WeakPolarHBondContact O-CB 3.19Å; L257-A261 PolarHBondContact O-N 3.04Å; A261-N265 PolarHBondContact O-N 3.3Å; A261-N265 VanDerWaalsContact O-N 3.16Å; A261-L266 WeakPolarHBondContact CB-O 3.12Å; A261-L266 PolarHBondContact O-N 3.09Å; A261-L266 VanDerWaalsContact O-O 3.09Å; A261-R267 PolarHBondContact O-NH1 2.98Å; A261-F277 HydrophobicContact CB-CD1 4.41Å; A261-F277 HydrophobicContact CB-CE1 3.75Å; A261-F277 HydrophobicContact CB-CZ 4.4Å; A261-F548 HydrophobicContact CB-CE2 3.85Å; A261-F548 HydrophobicContact CB-CZ 3.65Å
262	W	97.8	Very high	96.6	Very high	8 Å²	8	8.4 Å²	8.4	3%	0.03	5%	0.053	C	C	.	.	H	α-helix	trans	-72.5	-44.7	179.3	178	88.5	0	0	0	111.5	K234 D258 E259 T260 F264 N265 V368 T371 K372 F548	K234-W262 HydrophobicContact CB-CH2 4.12Å; K234-W262 HydrophobicContact CB-CZ3 4.05Å; K234-W262 HydrophobicContact CD-CD2 3.98Å; K234-W262 HydrophobicContact CD-CE3 3.94Å; K234-W262 HydrophobicContact CD-CH2 3.78Å; K234-W262 HydrophobicContact CD-CZ2 3.8Å; K234-W262 HydrophobicContact CD-CZ3 3.85Å; K234-W262 WeakPolarHBondContact CD-O 3.16Å; K234-W262 HydrophobicContact CG-CH2 3.79Å; K234-W262 HydrophobicContact CG-CZ2 4.12Å; K234-W262 HydrophobicContact CG-CZ3 4.1Å; K234-W262 PolarHBondContact NZ-O 2.67Å; D258-W262 VanDerWaalsContact O-CB 3.32Å; D258-W262 WeakPolarHBondContact O-CB 3.23Å; D258-W262 PolarHBondContact O-N 2.79Å; E259-W262 PolarHBondContact O-N 2.69Å; T260-W262 VanDerWaalsContact C-N 3.31Å; T260-W262 PolarHBondContact O-N 3.16Å; W262-F264 PolarHBondContact O-N 2.91Å; W262-N265 PolarHBondContact O-N 3.38Å; W262-V368 HydrophobicContact CE3-CG1 3.68Å; W262-V368 HydrophobicContact CZ3-CG1 4.02Å; W262-T371 HydrophobicContact CH2-CG2 3.67Å; W262-T371 HydrophobicContact CZ2-CG2 4.26Å; W262-K372 HydrophobicContact CB-CB 4.45Å; W262-K372 HydrophobicContact CB-CD 4.18Å; W262-K372 HydrophobicContact CD2-CB 3.53Å; W262-K372 VanDerWaalsContact CE2-CB 3.47Å; W262-K372 HydrophobicContact CE3-CB 4.17Å; W262-K372 HydrophobicContact CG-CB 3.64Å; W262-K372 HydrophobicContact CG-CD 4.25Å; W262-K372 HydrophobicContact CZ2-CB 4.06Å; W262-F548 HydrophobicContact CB-CE1 4.03Å; W262-F548 HydrophobicContact CB-CZ 3.68Å
263	L	97.7	Very high	96.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-57.3	-41.2	-177.5	-174.7	65.1	0	0	0	111.2	W231 K234 V235 I238 L254 E259 T260 T281	W231-L263 WeakPolarHBondContact CA-O 3.29Å; W231-L263 WeakPolarHBondContact CB-O 3.49Å; K234-L263 HydrophobicContact CB-CD1 4Å; V235-L263 HydrophobicContact CG2-CD1 3.87Å; V235-L263 HydrophobicContact CG2-CD2 4.32Å; V235-L263 HydrophobicContact CG2-CG 4.07Å; I238-L263 HydrophobicContact CG1-CD1 4.38Å; L254-L263 HydrophobicContact CD1-CD2 3.86Å; E259-L263 WeakPolarHBondContact O-CB 3.49Å; E259-L263 PolarHBondContact O-N 2.76Å; T260-L263 PolarHBondContact O-N 3.06Å; L263-T281 HydrophobicContact CD2-CG2 4.22Å
264	F	97.1	Very high	96.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-97.2	1.1	-177.4	-60.8	-63.4	0	0	0	115.3	W231 T260 W262 L266 T281 I288 L290 Y304 L305 V316	W231-F264 HydrophobicContact CB-CD1 4.47Å; W231-F264 HydrophobicContact CD2-CD1 4.43Å; W231-F264 HydrophobicContact CE3-CD1 4.15Å; W231-F264 HydrophobicContact CE3-CE1 4.26Å; T260-F264 HydrophobicContact CG2-CD2 3.88Å; T260-F264 HydrophobicContact CG2-CE2 4.01Å; T260-F264 VanDerWaalsContact O-CD2 3.31Å; T260-F264 WeakPolarHBondContact O-CD2 3.33Å; T260-F264 PolarHBondContact O-N 3.19Å; W262-F264 PolarHBondContact O-N 2.91Å; F264-L266 HydrophobicContact CB-CB 4.47Å; F264-L266 HydrophobicContact CB-CD1 3.98Å; F264-L266 HydrophobicContact CB-CG 3.81Å; F264-L266 PolarHBondContact O-N 3.43Å; F264-T281 HydrophobicContact CE2-CG2 4.01Å; F264-T281 HydrophobicContact CZ-CG2 4.04Å; F264-I288 HydrophobicContact CE1-CG2 3.94Å; F264-I288 HydrophobicContact CZ-CG2 3.57Å; F264-L290 HydrophobicContact CD2-CD1 4.48Å; F264-L290 HydrophobicContact CD2-CD2 4.25Å; F264-L290 HydrophobicContact CE2-CD1 4.11Å; F264-L290 HydrophobicContact CE2-CD2 4.23Å; F264-Y304 WeakPolarHBondContact O-CE1 3.43Å; F264-Y304 PolarHBondContact O-OH 2.92Å; F264-L305 HydrophobicContact CB-CD2 4.27Å; F264-L305 HydrophobicContact CD1-CD2 4.01Å; F264-L305 HydrophobicContact CG-CD2 4.3Å; F264-V316 HydrophobicContact CD1-CG2 4.35Å; F264-V316 HydrophobicContact CE1-CG1 4.44Å; F264-V316 HydrophobicContact CE1-CG2 3.78Å; F264-V316 HydrophobicContact CZ-CG1 4.48Å
265	N	96.9	Very high	96.1	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.021	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	36.6	-171.6	-65.1	-47.5	0	0	0	113	L222 V227 R229 W231 K234 A261 W262	L222-N265 HydrophobicContact CD1-CB 4.47Å; L222-N265 PolarHBondContact N-O 3.08Å; V227-N265 WeakPolarHBondContact CG1-ND2 3.34Å; V227-N265 HydrophobicContact CG2-CB 4.45Å; R229-N265 PolarHBondContact O-ND2 2.87Å; W231-N265 PolarHBondContact N-ND2 2.98Å; K234-N265 WeakPolarHBondContact CE-OD1 3.1Å; K234-N265 PolarHBondContact NZ-OD1 3.07Å; A261-N265 PolarHBondContact O-N 3.3Å; A261-N265 VanDerWaalsContact O-N 3.16Å; W262-N265 PolarHBondContact O-N 3.38Å
266	L	97.3	Very high	96	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	158	177.6	-61.9	-176.5	0	0	0	110.4	I220 R221 A261 F264 F277 L301 Y304 L305	I220-L266 CarbonylContact O-C 3.54Å; I220-L266 VanDerWaalsContact O-CA 3.28Å; I220-L266 WeakPolarHBondContact O-CA 3.21Å; R221-L266 HydrophobicContact CB-CD2 3.99Å; R221-L266 HydrophobicContact CG-CD2 4.44Å; A261-L266 WeakPolarHBondContact CB-O 3.12Å; A261-L266 PolarHBondContact O-N 3.09Å; A261-L266 VanDerWaalsContact O-O 3.09Å; F264-L266 HydrophobicContact CB-CB 4.47Å; F264-L266 HydrophobicContact CB-CD1 3.98Å; F264-L266 HydrophobicContact CB-CG 3.81Å; F264-L266 PolarHBondContact O-N 3.43Å; L266-F277 HydrophobicContact CB-CE1 3.58Å; L266-F277 HydrophobicContact CB-CZ 3.81Å; L266-F277 HydrophobicContact CD1-CZ 4.2Å; L266-L301 HydrophobicContact CD2-CD2 3.78Å; L266-Y304 HydrophobicContact CD2-CD1 4.23Å; L266-Y304 HydrophobicContact CD2-CE1 4.01Å; L266-L305 HydrophobicContact CD1-CD1 4.33Å; L266-L305 HydrophobicContact CD1-CD2 4.33Å
267	R	96.8	Very high	96.1	Very high	9 Å²	9	13.5 Å²	13.5	3%	0.034	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	156	174.2	-60.6	-66.2	-174.5	-85.6	5.9	110.3	I220 L222 A261 P275 N546 Y547 F548	I220-R267 HydrophobicContact CD1-CB 4.2Å; I220-R267 HydrophobicContact CG1-CB 3.74Å; I220-R267 PolarHBondContact N-O 2.95Å; I220-R267 PolarHBondContact O-N 2.88Å; L222-R267 HydrophobicContact CD2-CG 3.83Å; L222-R267 HydrophobicContact CG-CG 4.38Å; A261-R267 PolarHBondContact O-NH1 2.98Å; R267-P275 WeakPolarHBondContact CA-O 3.43Å; R267-P275 HydrophobicContact CB-CB 4.33Å; R267-P275 VanDerWaalsContact CD-O 3.31Å; R267-P275 WeakPolarHBondContact CD-O 3.47Å; R267-N546 PolarHBondContact NH2-O 3.21Å; R267-N546 VanDerWaalsContact NH2-O 3.11Å; R267-Y547 HydrophobicContact CB-CE1 4.28Å; R267-Y547 HydrophobicContact CG-CD1 3.97Å; R267-Y547 HydrophobicContact CG-CE1 3.75Å; R267-Y547 PolarHBondContact NE-O 2.89Å; R267-F548 VanDerWaalsContact NH2-CE2 3.34Å
268	G	95.4	Very high	96.1	Very high	10 Å²	10	13.4 Å²	13.4	10%	0.103	7%	0.074	C	C	.	.			trans	-137.1	-166.1	174.8	0	0	0	0	0	111.9	P275 F276	G268-P275 PolarHBondContact N-O 3.29Å; G268-P275 CarbonylContact O-C 3.55Å; G268-P275 WeakPolarHBondContact O-CA 3.36Å; G268-F276 CarbonylContact C-O 3.58Å; G268-F276 WeakPolarHBondContact CA-O 3.41Å
269	S	94.4	Very high	96.2	Very high	53 Å²	53	12.4 Å²	12.4	37%	0.371	7%	0.068	S	C	.	.			trans	-139.8	24.9	-178.3	52.4	0	0	0	0	111.8	D217 F276	D217-S269 WeakPolarHBondContact CB-OG 3.46Å; D217-S269 PolarHBondContact OD2-OG 2.92Å; S269-F276 PolarHBondContact N-O 2.86Å
270	D	94.9	Very high	96.3	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.016	7%	0.067	C	C	.	.	S	Bend	trans	-75.7	-33.8	-169.2	-64.4	17.9	0	0	0	111.7	A99 F276 F277 Y278 R296	A99-D270 VanDerWaalsContact CB-O 3.29Å; A99-D270 WeakPolarHBondContact CB-O 3.47Å; D270-F276 PolarHBondContact N-O 2.84Å; D270-F276 VanDerWaalsContact N-O 3.08Å; D270-F277 VanDerWaalsContact OD2-CA 3.3Å; D270-F277 WeakPolarHBondContact OD2-CA 3.31Å; D270-Y278 HydrophobicContact CB-CD2 3.89Å; D270-Y278 HydrophobicContact CB-CE2 3.81Å; D270-Y278 WeakPolarHBondContact OD2-CD2 3.15Å; D270-Y278 PolarHBondContact OD2-N 3.3Å; D270-R296 IonicContact OD1-CZ 3.77Å; D270-R296 IonicContact OD1-NH1 3.58Å; D270-R296 PolarHBondContact OD1-NH1 3Å; D270-R296 IonicContact OD1-NH2 3.98Å; D270-R296 PolarHBondContact OD1-NH2 3.34Å; D270-R296 IonicContact OD2-CZ 3.53Å; D270-R296 IonicContact OD2-NH1 3.58Å; D270-R296 PolarHBondContact OD2-NH1 2.85Å
271	V	94.4	Very high	96.3	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.018	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-107	128.5	-179.8	-178.8	0	0	0	0	107.8	Y97 L257 Y273 N274	Y97-V271 WeakPolarHBondContact O-CG1 3.28Å; L257-V271 HydrophobicContact CD1-CG2 3.92Å; V271-Y273 PolarHBondContact O-N 2.74Å; V271-N274 HydrophobicContact CB-CB 4.06Å; V271-N274 HydrophobicContact CG1-CB 3.92Å; V271-N274 PolarHBondContact O-N 3.13Å
272	P	92.7	Very high	96.4	Very high	50 Å²	50	12.2 Å²	12.2	33%	0.325	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	136.7	175.2	-27.7	35.3	0	0	0	111.6	N274	P272-N274 PolarHBondContact O-N 3.16Å
273	Y	94.3	Very high	96.4	Very high	79 Å²	79	11.9 Å²	11.9	31%	0.31	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	-21	179.2	-41.6	-67.6	0	0	0	116.8	Y97 V271 P432 S433 E435 Q472	Y97-Y273 HydrophobicContact CD1-CD2 4.32Å; Y97-Y273 HydrophobicContact CE1-CD2 4.48Å; V271-Y273 PolarHBondContact O-N 2.74Å; Y273-P432 HydrophobicContact CD1-CB 4.49Å; Y273-P432 HydrophobicContact CD1-CG 3.96Å; Y273-P432 HydrophobicContact CE1-CG 3.87Å; Y273-S433 VanDerWaalsContact CB-C 3.5Å; Y273-S433 VanDerWaalsContact CB-O 3.25Å; Y273-S433 WeakPolarHBondContact CB-O 3.28Å; Y273-E435 HydrophobicContact CE2-CB 4.24Å; Y273-E435 WeakPolarHBondContact OH-CB 3.47Å; Y273-Q472 WeakPolarHBondContact O-CG 3.5Å; Y273-Q472 PolarHBondContact O-NE2 2.75Å
274	N	95.1	Very high	96.3	Very high	10 Å²	10	12.3 Å²	12.3	5%	0.053	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-103.2	118.6	-178.6	-72	-24.8	0	0	0	110.2	Y97 V271 P272 F276 G549	Y97-N274 WeakPolarHBondContact CD2-ND2 3.44Å; V271-N274 HydrophobicContact CB-CB 4.06Å; V271-N274 HydrophobicContact CG1-CB 3.92Å; V271-N274 PolarHBondContact O-N 3.13Å; P272-N274 PolarHBondContact O-N 3.16Å; N274-F276 HydrophobicContact CB-CD2 3.56Å; N274-F276 HydrophobicContact CB-CE2 3.65Å; N274-F276 HydrophobicContact CB-CG 4.14Å; N274-F276 HydrophobicContact CB-CZ 4.3Å; N274-F276 PolarHBondContact O-N 2.83Å; N274-G549 WeakPolarHBondContact OD1-CA 3.38Å
275	P	95.4	Very high	96.1	Very high	7 Å²	7	15.3 Å²	15.3	5%	0.045	9%	0.085	C	C	.	.			trans	-79.1	52.4	-173.3	33.5	-36.9	0	0	0	112.8	R267 G268 Y547	R267-P275 WeakPolarHBondContact CA-O 3.43Å; R267-P275 HydrophobicContact CB-CB 4.33Å; R267-P275 VanDerWaalsContact CD-O 3.31Å; R267-P275 WeakPolarHBondContact CD-O 3.47Å; G268-P275 PolarHBondContact N-O 3.29Å; G268-P275 CarbonylContact O-C 3.55Å; G268-P275 WeakPolarHBondContact O-CA 3.36Å; P275-Y547 HydrophobicContact CB-CD2 4.22Å; P275-Y547 HydrophobicContact CB-CE2 3.7Å; P275-Y547 HydrophobicContact CG-CD2 3.86Å; P275-Y547 HydrophobicContact CG-CE2 3.85Å; P275-Y547 HydrophobicContact CG-CG 4.41Å; P275-Y547 WeakPolarHBondContact CG-O 3.49Å
276	F	94.8	Very high	95.7	Very high	17 Å²	17	20.5 Å²	20.5	8%	0.075	11%	0.113	C	C	.	.			trans	-105.6	164.2	-175.3	-59	-25.4	0	0	0	111.8	L257 D258 G268 S269 D270 N274 F548 G549	L257-F276 HydrophobicContact CB-CB 3.79Å; L257-F276 HydrophobicContact CB-CD2 4.17Å; L257-F276 HydrophobicContact CB-CG 4.05Å; L257-F276 HydrophobicContact CD1-CB 4.02Å; D258-F276 HydrophobicContact CB-CD1 4.23Å; D258-F276 HydrophobicContact CB-CE1 3.55Å; D258-F276 HydrophobicContact CB-CE2 4.05Å; D258-F276 HydrophobicContact CB-CZ 3.45Å; D258-F276 VanDerWaalsContact CB-CZ 3.45Å; G268-F276 CarbonylContact C-O 3.58Å; G268-F276 WeakPolarHBondContact CA-O 3.41Å; S269-F276 PolarHBondContact N-O 2.86Å; D270-F276 PolarHBondContact N-O 2.84Å; D270-F276 VanDerWaalsContact N-O 3.08Å; N274-F276 HydrophobicContact CB-CD2 3.56Å; N274-F276 HydrophobicContact CB-CE2 3.65Å; N274-F276 HydrophobicContact CB-CG 4.14Å; N274-F276 HydrophobicContact CB-CZ 4.3Å; N274-F276 PolarHBondContact O-N 2.83Å; F276-F548 HydrophobicContact CE1-CB 4.49Å; F276-F548 AromaticContact CE1-CD1 3.77Å; F276-F548 HydrophobicContact CE1-CD1 3.77Å; F276-F548 HydrophobicContact CE1-CD2 4.09Å; F276-F548 AromaticContact CE1-CE1 3.92Å; F276-F548 HydrophobicContact CE1-CE1 3.92Å; F276-F548 HydrophobicContact CE1-CE2 4.15Å; F276-F548 AromaticContact CE1-CG 3.86Å; F276-F548 HydrophobicContact CE1-CG 3.86Å; F276-F548 HydrophobicContact CE1-CZ 4.07Å; F276-F548 HydrophobicContact CZ-CD1 4.24Å; F276-G549 VanDerWaalsContact CZ-N 3.33Å
277	F	97.2	Very high	95.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.			trans	-138.9	139.7	174.6	56.2	-84.6	0	0	0	111	L219 L257 T260 A261 L266 D270 S279 V292	L219-F277 HydrophobicContact CD1-CD1 4.41Å; L219-F277 HydrophobicContact CD1-CD2 3.76Å; L219-F277 HydrophobicContact CD1-CE2 4Å; L219-F277 HydrophobicContact CD1-CG 3.99Å; L219-F277 HydrophobicContact CD1-CZ 4.43Å; L219-F277 HydrophobicContact CD2-CB 3.38Å; L219-F277 HydrophobicContact CD2-CD1 4.04Å; L219-F277 HydrophobicContact CD2-CD2 4.13Å; L219-F277 HydrophobicContact CD2-CG 3.59Å; L219-F277 HydrophobicContact CG-CG 4.43Å; L257-F277 WeakPolarHBondContact CD2-O 3.29Å; T260-F277 HydrophobicContact CG2-CE2 4.08Å; T260-F277 HydrophobicContact CG2-CZ 4.1Å; A261-F277 HydrophobicContact CB-CD1 4.41Å; A261-F277 HydrophobicContact CB-CE1 3.75Å; A261-F277 HydrophobicContact CB-CZ 4.4Å; L266-F277 HydrophobicContact CB-CE1 3.58Å; L266-F277 HydrophobicContact CB-CZ 3.81Å; L266-F277 HydrophobicContact CD1-CZ 4.2Å; D270-F277 VanDerWaalsContact OD2-CA 3.3Å; D270-F277 WeakPolarHBondContact OD2-CA 3.31Å; F277-S279 WeakPolarHBondContact CE2-OG 3.48Å; F277-S279 PolarHBondContact O-N 3.04Å; F277-S279 VanDerWaalsContact O-N 3.07Å; F277-S279 PolarHBondContact O-OG 3.38Å; F277-V292 HydrophobicContact CD2-CG2 4.1Å; F277-V292 HydrophobicContact CE2-CG2 4.44Å
278	Y	97.7	Very high	95.4	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.008	13%	0.128	C	C	.	.	S	Bend	trans	-56.3	114.9	-179.5	-67.1	-62.8	0	0	0	111.3	H93 A99 D102 I214 L257 D270	H93-Y278 AromaticContact CD2-CD1 3.74Å; H93-Y278 AromaticContact NE2-CD1 3.81Å; A99-Y278 WeakPolarHBondContact CB-OH 3.49Å; D102-Y278 PolarHBondContact OD2-OH 2.98Å; I214-Y278 HydrophobicContact CD1-CD2 4.14Å; I214-Y278 HydrophobicContact CD1-CE2 4.41Å; I214-Y278 HydrophobicContact CG1-CD2 4.43Å; I214-Y278 HydrophobicContact CG1-CE2 4.26Å; I214-Y278 HydrophobicContact CG2-CD2 4.26Å; I214-Y278 HydrophobicContact CG2-CE2 4.35Å; L257-Y278 HydrophobicContact CD1-CD1 4.29Å; D270-Y278 HydrophobicContact CB-CD2 3.89Å; D270-Y278 HydrophobicContact CB-CE2 3.81Å; D270-Y278 WeakPolarHBondContact OD2-CD2 3.15Å; D270-Y278 PolarHBondContact OD2-N 3.3Å
279	S	98.1	Very high	95.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	155	-176.8	54.2	0	0	0	0	113.5	H93 T260 F277 F291	H93-S279 PolarHBondContact CE1-O 3.41Å; T260-S279 WeakPolarHBondContact CB-OG 3.35Å; T260-S279 VanDerWaalsContact CG2-OG 3.23Å; T260-S279 WeakPolarHBondContact CG2-OG 3.41Å; F277-S279 WeakPolarHBondContact CE2-OG 3.48Å; F277-S279 PolarHBondContact O-N 3.04Å; F277-S279 VanDerWaalsContact O-N 3.07Å; F277-S279 PolarHBondContact O-OG 3.38Å; S279-F291 WeakPolarHBondContact CA-O 3.47Å; S279-F291 VanDerWaalsContact CB-O 3.31Å; S279-F291 WeakPolarHBondContact CB-O 3.37Å
280	Y	98.8	Very high	95.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	153.4	164.5	-63.3	-83.1	0	0	0	108.9	A92 H93 F291 Y321 V324 N347 L350	A92-Y280 PolarHBondContact O-OH 2.63Å; H93-Y280 AromaticContact CE1-CD1 4Å; H93-Y280 AromaticContact CE1-CD2 3.94Å; H93-Y280 AromaticContact CE1-CE1 3.48Å; H93-Y280 VanDerWaalsContact CE1-CE1 3.48Å; H93-Y280 WeakPolarHBondContact CE1-CE1 3.39Å; H93-Y280 AromaticContact CE1-CE2 3.46Å; H93-Y280 VanDerWaalsContact CE1-CE2 3.46Å; H93-Y280 WeakPolarHBondContact CE1-CE2 3.26Å; H93-Y280 AromaticContact CE1-CZ 3.18Å; H93-Y280 PolarHBondContact CE1-OH 2.87Å; H93-Y280 AromaticContact ND1-CE1 3.61Å; H93-Y280 AromaticContact ND1-CZ 3.69Å; H93-Y280 AromaticContact NE2-CE2 3.98Å; H93-Y280 AromaticContact NE2-CZ 3.86Å; Y280-F291 PolarHBondContact N-O 2.79Å; Y280-F291 VanDerWaalsContact N-O 3.09Å; Y280-F291 WeakPolarHBondContact O-CD2 3.2Å; Y280-F291 PolarHBondContact O-N 2.85Å; Y280-Y321 HydrophobicContact CD2-CD2 4.17Å; Y280-Y321 AromaticContact CD2-CE2 3.71Å; Y280-Y321 HydrophobicContact CD2-CE2 3.71Å; Y280-Y321 HydrophobicContact CE2-CD2 4.3Å; Y280-Y321 AromaticContact CE2-CE2 3.48Å; Y280-Y321 HydrophobicContact CE2-CE2 3.48Å; Y280-Y321 VanDerWaalsContact CE2-CE2 3.48Å; Y280-Y321 AromaticContact CE2-CZ 3.64Å; Y280-V324 HydrophobicContact CD1-CG2 4.46Å; Y280-V324 HydrophobicContact CD2-CB 3.94Å; Y280-V324 HydrophobicContact CD2-CG1 3.79Å; Y280-V324 HydrophobicContact CD2-CG2 3.89Å; Y280-V324 HydrophobicContact CE2-CG1 3.92Å; Y280-V324 HydrophobicContact CG-CB 4.35Å; Y280-V324 HydrophobicContact CG-CG1 4.49Å; Y280-V324 HydrophobicContact CG-CG2 3.79Å; Y280-N347 PolarHBondContact OH-ND2 3.03Å; Y280-L350 HydrophobicContact CD1-CD1 3.53Å; Y280-L350 HydrophobicContact CE1-CD1 3.61Å; Y280-L350 HydrophobicContact CG-CD1 4.28Å
281	T	98.7	Very high	95.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.2	174.9	-57.8	0	0	0	0	111	L253 L254 T260 L263 F264 I288 W289	L253-T281 WeakPolarHBondContact CA-O 3.31Å; L254-T281 HydrophobicContact CD1-CG2 4.23Å; L254-T281 PolarHBondContact N-O 2.84Å; L254-T281 PolarHBondContact O-N 3.07Å; L254-T281 VanDerWaalsContact O-N 3.16Å; T260-T281 WeakPolarHBondContact CG2-OG1 3.48Å; T260-T281 PolarHBondContact OG1-OG1 3.29Å; L263-T281 HydrophobicContact CD2-CG2 4.22Å; F264-T281 HydrophobicContact CE2-CG2 4.01Å; F264-T281 HydrophobicContact CZ-CG2 4.04Å; T281-I288 HydrophobicContact CG2-CG2 4.47Å; T281-W289 WeakPolarHBondContact CA-O 3.46Å
282	L	98.4	Very high	96	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	106.7	163.6	-171.8	72.8	0	0	0	108.5	A251 L253 T284 W289 F291 Y331	A251-L282 HydrophobicContact CB-CD1 3.9Å; A251-L282 HydrophobicContact CB-CG 4.36Å; L253-L282 HydrophobicContact CB-CD1 4.03Å; L253-L282 HydrophobicContact CD1-CD1 4.11Å; L282-T284 HydrophobicContact CG-CG2 4.45Å; L282-W289 HydrophobicContact CB-CB 4.28Å; L282-W289 HydrophobicContact CB-CE3 4.27Å; L282-W289 HydrophobicContact CD2-CD2 4.3Å; L282-W289 HydrophobicContact CD2-CE3 3.51Å; L282-W289 HydrophobicContact CD2-CH2 4.47Å; L282-W289 HydrophobicContact CD2-CZ3 3.63Å; L282-W289 HydrophobicContact CG-CE3 4.48Å; L282-W289 PolarHBondContact N-O 2.93Å; L282-W289 PolarHBondContact O-N 3.48Å; L282-F291 HydrophobicContact CB-CE2 4.41Å; L282-Y331 HydrophobicContact CD2-CD1 3.92Å; L282-Y331 HydrophobicContact CD2-CD2 4.21Å; L282-Y331 HydrophobicContact CD2-CE1 4.26Å; L282-Y331 HydrophobicContact CD2-CG 3.89Å
283	L	97.9	Very high	96.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.2	177.2	173.8	60.4	0	0	0	109.2	V235 I238 R239 A251 V252 I288	V235-L283 HydrophobicContact CG1-CD1 3.88Å; I238-L283 HydrophobicContact CB-CD2 3.96Å; I238-L283 HydrophobicContact CG2-CD2 3.67Å; R239-L283 HydrophobicContact CG-CD1 4.5Å; A251-L283 CarbonylContact C-O 3.58Å; A251-L283 WeakPolarHBondContact CA-O 3.41Å; V252-L283 PolarHBondContact N-O 3Å; V252-L283 PolarHBondContact O-N 3.3Å; L283-I288 HydrophobicContact CD1-CD1 4.38Å; L283-I288 HydrophobicContact CD1-CG1 3.81Å
284	T	96.1	Very high	96.2	Very high	9 Å²	9	19.9 Å²	19.9	6%	0.055	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	175.7	171.4	84.5	0	0	0	0	110.4	R239 T250 A251 L282 N286 E287 Y331	R239-T284 PolarHBondContact NE-O 3.03Å; R239-T284 PolarHBondContact NH2-O 3.28Å; R239-T284 VanDerWaalsContact NH2-O 3.13Å; T250-T284 WeakPolarHBondContact O-CA 3.36Å; A251-T284 HydrophobicContact CB-CG2 4.16Å; L282-T284 HydrophobicContact CG-CG2 4.45Å; T284-N286 PolarHBondContact O-N 3.47Å; T284-N286 PolarHBondContact OG1-N 2.67Å; T284-E287 PolarHBondContact N-O 3.29Å; T284-E287 WeakPolarHBondContact OG1-CA 3.31Å; T284-E287 WeakPolarHBondContact OG1-CB 3.45Å; T284-E287 PolarHBondContact OG1-N 3.1Å; T284-E287 PolarHBondContact OG1-O 3.24Å; T284-Y331 HydrophobicContact CG2-CE2 4.01Å
285	L	92.9	Very high	96.2	Very high	64 Å²	64	25.8 Å²	25.8	34%	0.335	13%	0.129	S	C	.	.	S	Bend	trans	-59.5	-28.4	173.8	-64.7	176.3	0	0	0	112.9	R239 M242 T250	R239-L285 WeakPolarHBondContact CD-O 3.22Å; R239-L285 PolarHBondContact NE-O 2.89Å; R239-L285 PolarHBondContact NH1-O 3.37Å; M242-L285 HydrophobicContact CB-CD2 4.24Å; M242-L285 HydrophobicContact CE-CD2 3.89Å; M242-L285 HydrophobicContact CE-CG 4.25Å; T250-L285 PolarHBondContact O-N 3.25Å
286	N	88.8	Confident	96.1	Very high	113 Å²	113	25.9 Å²	25.9	60%	0.604	13%	0.129	S	C	*	.	S	Bend	trans	-131.3	-5	-169.6	-56.2	-29.5	0	0	0	114.3	T284 A313	T284-N286 PolarHBondContact O-N 3.47Å; T284-N286 PolarHBondContact OG1-N 2.67Å; N286-A313 CarbonylContact C-O 3.52Å
287	E	92.1	Very high	96.2	Very high	76 Å²	76	25.3 Å²	25.3	36%	0.355	13%	0.127	S	C	.	.			trans	-139.9	158.7	-178.4	-61.1	-174.3	114.8	0	0	109.8	R239 T284 Q317	R239-E287 PolarHBondContact NH2-O 2.68Å; T284-E287 PolarHBondContact N-O 3.29Å; T284-E287 WeakPolarHBondContact OG1-CA 3.31Å; T284-E287 WeakPolarHBondContact OG1-CB 3.45Å; T284-E287 PolarHBondContact OG1-N 3.1Å; T284-E287 PolarHBondContact OG1-O 3.24Å; E287-Q317 PolarHBondContact OE1-NE2 3.37Å
288	I	95.8	Very high	96.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	117.4	177	-50.2	176.6	0	0	0	107.1	W231 V235 F264 T281 L283 V316 Q317	W231-I288 HydrophobicContact CZ3-CD1 3.81Å; V235-I288 HydrophobicContact CG1-CD1 3.99Å; V235-I288 HydrophobicContact CG2-CD1 4.11Å; F264-I288 HydrophobicContact CE1-CG2 3.94Å; F264-I288 HydrophobicContact CZ-CG2 3.57Å; T281-I288 HydrophobicContact CG2-CG2 4.47Å; L283-I288 HydrophobicContact CD1-CD1 4.38Å; L283-I288 HydrophobicContact CD1-CG1 3.81Å; I288-V316 HydrophobicContact CB-CG2 4.44Å; I288-V316 HydrophobicContact CD1-CG2 4.27Å; I288-V316 HydrophobicContact CG2-CG1 4.35Å; I288-V316 HydrophobicContact CG2-CG2 4.21Å; I288-Q317 PolarHBondContact O-N 3.01Å
289	W	97.4	Very high	96	Very high	22 Å²	22	33.1 Å²	33.1	8%	0.083	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.9	174.5	-60	-11.3	0	0	0	109	T281 L282 F291 Q317 L319 M327 Y331	T281-W289 WeakPolarHBondContact CA-O 3.46Å; L282-W289 HydrophobicContact CB-CB 4.28Å; L282-W289 HydrophobicContact CB-CE3 4.27Å; L282-W289 HydrophobicContact CD2-CD2 4.3Å; L282-W289 HydrophobicContact CD2-CE3 3.51Å; L282-W289 HydrophobicContact CD2-CH2 4.47Å; L282-W289 HydrophobicContact CD2-CZ3 3.63Å; L282-W289 HydrophobicContact CG-CE3 4.48Å; L282-W289 PolarHBondContact N-O 2.93Å; L282-W289 PolarHBondContact O-N 3.48Å; W289-F291 HydrophobicContact CB-CE2 4.01Å; W289-F291 HydrophobicContact CB-CZ 4.25Å; W289-F291 HydrophobicContact CE3-CZ 4.08Å; W289-Q317 VanDerWaalsContact CD1-OE1 3.31Å; W289-Q317 VanDerWaalsContact NE1-OE1 3.1Å; W289-L319 HydrophobicContact CB-CD1 3.92Å; W289-L319 HydrophobicContact CD2-CD1 4.33Å; W289-L319 HydrophobicContact CG-CD1 4.06Å; W289-M327 HydrophobicContact CE3-CB 4.45Å; W289-M327 HydrophobicContact CE3-CE 4.39Å; W289-M327 HydrophobicContact CH2-CE 4.26Å; W289-M327 HydrophobicContact CZ2-CE 4.5Å; W289-M327 HydrophobicContact CZ3-CB 4.26Å; W289-M327 HydrophobicContact CZ3-CE 4.19Å; W289-Y331 AromaticContact CH2-CD2 3.83Å; W289-Y331 HydrophobicContact CH2-CD2 3.83Å; W289-Y331 HydrophobicContact CH2-CG 4.31Å; W289-Y331 HydrophobicContact CZ3-CD2 4.26Å; W289-Y331 HydrophobicContact CZ3-CG 4.34Å
290	L	98.1	Very high	95.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	109.9	174.8	173.4	56.8	0	0	0	108.5	T260 F264 V292 L305 V316 Q317 L318 L319	T260-L290 HydrophobicContact CG2-CD1 3.5Å; T260-L290 VanDerWaalsContact CG2-CD1 3.5Å; F264-L290 HydrophobicContact CD2-CD1 4.48Å; F264-L290 HydrophobicContact CD2-CD2 4.25Å; F264-L290 HydrophobicContact CE2-CD1 4.11Å; F264-L290 HydrophobicContact CE2-CD2 4.23Å; L290-V292 HydrophobicContact CG-CB 4.31Å; L290-V292 HydrophobicContact CG-CG1 4.17Å; L290-L305 HydrophobicContact CD2-CD1 4.33Å; L290-V316 HydrophobicContact CB-CG1 3.61Å; L290-V316 HydrophobicContact CD2-CG1 4.1Å; L290-Q317 PolarHBondContact N-O 3.21Å; L290-L318 HydrophobicContact CB-CD2 4.19Å; L290-L318 HydrophobicContact CD2-CD2 3.79Å; L290-L318 HydrophobicContact CG-CD2 4.13Å; L290-L319 PolarHBondContact O-N 3.45Å
291	F	98.7	Very high	95.7	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.013	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	116.5	174.1	-58.1	-87.5	0	0	0	108.3	S279 Y280 L282 W289 L319 Q323 V324 M327	S279-F291 WeakPolarHBondContact CA-O 3.47Å; S279-F291 VanDerWaalsContact CB-O 3.31Å; S279-F291 WeakPolarHBondContact CB-O 3.37Å; Y280-F291 PolarHBondContact N-O 2.79Å; Y280-F291 VanDerWaalsContact N-O 3.09Å; Y280-F291 WeakPolarHBondContact O-CD2 3.2Å; Y280-F291 PolarHBondContact O-N 2.85Å; L282-F291 HydrophobicContact CB-CE2 4.41Å; W289-F291 HydrophobicContact CB-CE2 4.01Å; W289-F291 HydrophobicContact CB-CZ 4.25Å; W289-F291 HydrophobicContact CE3-CZ 4.08Å; F291-L319 WeakPolarHBondContact CA-O 3.44Å; F291-L319 HydrophobicContact CD1-CB 3.66Å; F291-L319 HydrophobicContact CD1-CD1 4.03Å; F291-L319 HydrophobicContact CE1-CB 3.86Å; F291-L319 HydrophobicContact CE1-CD1 3.39Å; F291-L319 HydrophobicContact CE1-CG 4.28Å; F291-L319 HydrophobicContact CE2-CD1 4.48Å; F291-L319 HydrophobicContact CG-CB 4.42Å; F291-L319 HydrophobicContact CZ-CD1 3.67Å; F291-Q323 HydrophobicContact CD1-CB 4.45Å; F291-Q323 HydrophobicContact CE1-CB 4.46Å; F291-V324 HydrophobicContact CB-CB 4.36Å; F291-V324 HydrophobicContact CD1-CB 3.9Å; F291-V324 HydrophobicContact CD1-CG2 4.48Å; F291-V324 HydrophobicContact CD2-CB 4.21Å; F291-V324 HydrophobicContact CD2-CG2 3.95Å; F291-V324 VanDerWaalsContact CE1-CA 3.46Å; F291-V324 HydrophobicContact CE1-CB 4.23Å; F291-V324 HydrophobicContact CE2-CG2 4.11Å; F291-V324 HydrophobicContact CG-CB 3.88Å; F291-V324 HydrophobicContact CG-CG2 4.15Å; F291-V324 HydrophobicContact CZ-CG2 4.44Å; F291-M327 HydrophobicContact CE1-CB 3.64Å; F291-M327 HydrophobicContact CE1-CG 3.82Å; F291-M327 HydrophobicContact CZ-CB 3.64Å; F291-M327 HydrophobicContact CZ-CG 4.27Å
292	V	97.9	Very high	95.5	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	158.6	-174.2	66.8	0	0	0	0	109.9	L219 F277 L290 K294 V297 L318 L319 Y321	L219-V292 HydrophobicContact CD1-CG2 4.07Å; F277-V292 HydrophobicContact CD2-CG2 4.1Å; F277-V292 HydrophobicContact CE2-CG2 4.44Å; L290-V292 HydrophobicContact CG-CB 4.31Å; L290-V292 HydrophobicContact CG-CG1 4.17Å; V292-K294 PolarHBondContact O-N 3.41Å; V292-V297 HydrophobicContact CG1-CG2 3.89Å; V292-V297 HydrophobicContact CG2-CG2 4.42Å; V292-L318 HydrophobicContact CG1-CD2 4.15Å; V292-L319 PolarHBondContact N-O 2.89Å; V292-Y321 PolarHBondContact O-N 2.8Å
293	H	96.4	Very high	95.2	Very high	21 Å²	21	48.2 Å²	48.2	10%	0.097	24%	0.243	C	C	.	.			trans	-67.1	99	168.2	-57.5	92.4	0	0	0	109	I214 D295 R296 Y321 E322	I214-H293 WeakPolarHBondContact CD1-CE1 3.42Å; I214-H293 WeakPolarHBondContact CD1-NE2 3.26Å; H293-D295 VanDerWaalsContact C-OD1 3.29Å; H293-D295 WeakPolarHBondContact CB-OD1 3.3Å; H293-D295 PolarHBondContact O-N 3Å; H293-R296 HydrophobicContact CB-CG 4.14Å; H293-R296 WeakPolarHBondContact O-CB 3.48Å; H293-R296 PolarHBondContact O-N 3.02Å; H293-Y321 AromaticContact CE1-CD1 3.92Å; H293-Y321 AromaticContact CE1-CG 3.75Å; H293-Y321 AromaticContact NE2-CD1 3.96Å; H293-E322 IonicContact NE2-OE1 3.17Å
294	K	94.6	Very high	95	Very high	69 Å²	69	49.1 Å²	49.1	30%	0.3	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-65.7	-25.1	-167.5	-77.9	-179.3	-74.4	157.3	0	114	V292 R296 V297 L318 E320	V292-K294 PolarHBondContact O-N 3.41Å; K294-R296 PolarHBondContact O-N 3.36Å; K294-V297 PolarHBondContact O-N 3.31Å; K294-L318 HydrophobicContact CD-CB 4.1Å; K294-L318 HydrophobicContact CG-CB 4.1Å; K294-E320 VanDerWaalsContact CE-CG 3.48Å; K294-E320 WeakPolarHBondContact CE-OE1 3.18Å; K294-E320 WeakPolarHBondContact CE-OE2 3.25Å; K294-E320 VanDerWaalsContact NZ-CD 3.33Å; K294-E320 IonicContact NZ-OE1 3.47Å; K294-E320 PolarHBondContact NZ-OE1 2.94Å
295	D	94	Very high	94.8	Very high	133 Å²	133	48.7 Å²	48.7	71%	0.711	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-62	-22	174.2	61.8	-35.2	0	0	0	112.8	H293	H293-D295 VanDerWaalsContact C-OD1 3.29Å; H293-D295 WeakPolarHBondContact CB-OD1 3.3Å; H293-D295 PolarHBondContact O-N 3Å
296	R	93.8	Very high	94.5	Very high	9 Å²	9	48.5 Å²	48.5	3%	0.034	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-89.1	-4.5	177.8	-56.2	-174.2	62.5	-157.7	-1.6	114.3	P215 D217 L219 D270 H293 K294	P215-R296 PolarHBondContact O-NE 2.72Å; D217-R296 PolarHBondContact O-NE 3Å; D217-R296 PolarHBondContact O-NH2 3.26Å; L219-R296 HydrophobicContact CG-CB 4.48Å; L219-R296 PolarHBondContact N-O 3.03Å; D270-R296 IonicContact OD1-CZ 3.77Å; D270-R296 IonicContact OD1-NH1 3.58Å; D270-R296 PolarHBondContact OD1-NH1 3Å; D270-R296 IonicContact OD1-NH2 3.98Å; D270-R296 PolarHBondContact OD1-NH2 3.34Å; D270-R296 IonicContact OD2-CZ 3.53Å; D270-R296 IonicContact OD2-NH1 3.58Å; D270-R296 PolarHBondContact OD2-NH1 2.85Å; H293-R296 HydrophobicContact CB-CG 4.14Å; H293-R296 WeakPolarHBondContact O-CB 3.48Å; H293-R296 PolarHBondContact O-N 3.02Å; K294-R296 PolarHBondContact O-N 3.36Å
297	V	96.3	Very high	93.8	Very high	6 Å²	6	47 Å²	47	4%	0.036	24%	0.241	C	C	.	.	S	Bend	trans	-97.4	110.2	178.7	-170.5	0	0	0	0	109.1	L219 V292 K294 L301 K302 L318	L219-V297 HydrophobicContact CD1-CG2 4.19Å; V292-V297 HydrophobicContact CG1-CG2 3.89Å; V292-V297 HydrophobicContact CG2-CG2 4.42Å; K294-V297 PolarHBondContact O-N 3.31Å; V297-L301 HydrophobicContact CG1-CB 3.72Å; V297-K302 HydrophobicContact CG1-CG 3.96Å; V297-K302 VanDerWaalsContact O-CE 3.27Å; V297-K302 WeakPolarHBondContact O-CE 3.39Å; V297-L318 HydrophobicContact CB-CD1 4.36Å; V297-L318 HydrophobicContact CG1-CD1 3.98Å
298	T	96.6	Very high	92.6	Very high	44 Å²	44	46 Å²	46	27%	0.27	24%	0.241	S	C	.	.			trans	-67.7	161.3	179.5	67	0	0	0	0	112.1	N218 D300 L301 K302	N218-T298 HydrophobicContact CB-CG2 3.79Å; T298-D300 VanDerWaalsContact C-N 3.27Å; T298-D300 PolarHBondContact O-N 3.05Å; T298-L301 PolarHBondContact O-N 3.09Å; T298-L301 VanDerWaalsContact O-N 3.09Å; T298-L301 WeakPolarHBondContact OG1-CG 3.47Å; T298-L301 PolarHBondContact OG1-N 2.89Å; T298-K302 WeakPolarHBondContact O-CG 3.25Å; T298-K302 PolarHBondContact O-N 2.92Å
299	E	95.2	Very high	91.5	Very high	122 Å²	122	48 Å²	48	57%	0.57	26%	0.255	S	S	*	.	H	α-helix	trans	-58.3	-38.5	175.4	-65.4	-54	131.5	0	0	112.4	L301 K302 L303	E299-L301 VanDerWaalsContact C-N 3.3Å; E299-L301 PolarHBondContact O-N 3.18Å; E299-K302 WeakPolarHBondContact O-CB 3.42Å; E299-K302 PolarHBondContact O-N 3.38Å; E299-K302 IonicContact OE1-NZ 3.76Å; E299-K302 PolarHBondContact OE1-NZ 3.05Å; E299-L303 WeakPolarHBondContact O-CG 3.38Å; E299-L303 PolarHBondContact O-N 3.19Å
300	D	94.8	Very high	89.5	Confident	125 Å²	125	56 Å²	56	67%	0.668	29%	0.29	S	S	*	.	H	α-helix	trans	-61.8	-38.1	175.5	-69.9	-16.2	0	0	0	112	T298 L303 Y304	T298-D300 VanDerWaalsContact C-N 3.27Å; T298-D300 PolarHBondContact O-N 3.05Å; D300-L303 PolarHBondContact O-N 2.96Å; D300-Y304 WeakPolarHBondContact O-CB 3.32Å; D300-Y304 PolarHBondContact O-N 3.28Å
301	L	95.4	Very high	87.4	Confident	10 Å²	10	61.3 Å²	61.3	5%	0.052	33%	0.325	C	S	.	.	H	α-helix	trans	-71.7	-37.3	174.8	-71.5	-175.4	0	0	0	112.4	L219 R221 L266 V297 T298 E299 L303 Y304 L305	L219-L301 HydrophobicContact CB-CD1 3.66Å; L219-L301 VanDerWaalsContact O-CD1 3.31Å; L219-L301 WeakPolarHBondContact O-CD1 3.48Å; R221-L301 HydrophobicContact CB-CD2 3.74Å; L266-L301 HydrophobicContact CD2-CD2 3.78Å; V297-L301 HydrophobicContact CG1-CB 3.72Å; T298-L301 PolarHBondContact O-N 3.09Å; T298-L301 VanDerWaalsContact O-N 3.09Å; T298-L301 WeakPolarHBondContact OG1-CG 3.47Å; T298-L301 PolarHBondContact OG1-N 2.89Å; E299-L301 VanDerWaalsContact C-N 3.3Å; E299-L301 PolarHBondContact O-N 3.18Å; L301-L303 VanDerWaalsContact C-N 3.27Å; L301-L303 PolarHBondContact O-N 3.33Å; L301-Y304 HydrophobicContact CD2-CD1 4.36Å; L301-Y304 WeakPolarHBondContact O-CB 3.28Å; L301-Y304 PolarHBondContact O-N 3.16Å; L301-L305 WeakPolarHBondContact O-CB 3.47Å; L301-L305 VanDerWaalsContact O-CG 3.28Å; L301-L305 WeakPolarHBondContact O-CG 3.3Å; L301-L305 PolarHBondContact O-N 3.01Å
302	K	94.3	Very high	85.3	Confident	65 Å²	65	66.3 Å²	66.3	28%	0.283	35%	0.351	S	S	.	.	H	α-helix	trans	-60.6	-40.3	172.5	-67.2	174.3	-169	167.2	0	111	V297 T298 E299 N306 L318	V297-K302 HydrophobicContact CG1-CG 3.96Å; V297-K302 VanDerWaalsContact O-CE 3.27Å; V297-K302 WeakPolarHBondContact O-CE 3.39Å; T298-K302 WeakPolarHBondContact O-CG 3.25Å; T298-K302 PolarHBondContact O-N 2.92Å; E299-K302 WeakPolarHBondContact O-CB 3.42Å; E299-K302 PolarHBondContact O-N 3.38Å; E299-K302 IonicContact OE1-NZ 3.76Å; E299-K302 PolarHBondContact OE1-NZ 3.05Å; K302-N306 VanDerWaalsContact O-CB 3.29Å; K302-N306 WeakPolarHBondContact O-CB 3.46Å; K302-N306 PolarHBondContact O-N 3.49Å; K302-N306 PolarHBondContact O-ND2 3.24Å; K302-L318 HydrophobicContact CG-CD1 3.97Å
303	L	92.4	Very high	83.3	Confident	117 Å²	117	69.5 Å²	69.5	61%	0.613	38%	0.377	S	S	*	.	H	α-helix	trans	-66.3	-44.3	173.8	-70.4	172.5	0	0	0	111.4	E299 D300 L301 L305 N306 S307	E299-L303 WeakPolarHBondContact O-CG 3.38Å; E299-L303 PolarHBondContact O-N 3.19Å; D300-L303 PolarHBondContact O-N 2.96Å; L301-L303 VanDerWaalsContact C-N 3.27Å; L301-L303 PolarHBondContact O-N 3.33Å; L303-L305 PolarHBondContact O-N 2.84Å; L303-N306 CarbonylContact O-C 3.51Å; L303-N306 PolarHBondContact O-N 2.85Å; L303-S307 WeakPolarHBondContact O-CA 3.49Å; L303-S307 WeakPolarHBondContact O-CB 3.35Å; L303-S307 PolarHBondContact O-N 3.35Å
304	Y	92.8	Very high	81.7	Confident	19 Å²	19	70.1 Å²	70.1	8%	0.075	38%	0.38	C	S	.	.	H	α-helix	trans	-59.1	-43.9	177	169.9	-117.8	0	0	0	113.3	R221 W231 F264 L266 D300 L301 N306 S307	R221-Y304 HydrophobicContact CB-CE1 4.45Å; R221-Y304 VanDerWaalsContact CD-CE2 3.48Å; R221-Y304 VanDerWaalsContact CD-CZ 3.44Å; R221-Y304 HydrophobicContact CG-CD1 4.16Å; R221-Y304 HydrophobicContact CG-CE1 3.69Å; R221-Y304 HydrophobicContact CG-CE2 4.28Å; R221-Y304 VanDerWaalsContact CZ-CD2 3.46Å; W231-Y304 AromaticContact CD1-CE1 3.82Å; W231-Y304 AromaticContact CD1-CE2 3.59Å; W231-Y304 AromaticContact CD1-CZ 3.29Å; W231-Y304 AromaticContact NE1-CE2 3.8Å; W231-Y304 AromaticContact NE1-CZ 3.85Å; W231-Y304 PolarHBondContact NE1-O 3.42Å; F264-Y304 WeakPolarHBondContact O-CE1 3.43Å; F264-Y304 PolarHBondContact O-OH 2.92Å; L266-Y304 HydrophobicContact CD2-CD1 4.23Å; L266-Y304 HydrophobicContact CD2-CE1 4.01Å; D300-Y304 WeakPolarHBondContact O-CB 3.32Å; D300-Y304 PolarHBondContact O-N 3.28Å; L301-Y304 HydrophobicContact CD2-CD1 4.36Å; L301-Y304 WeakPolarHBondContact O-CB 3.28Å; L301-Y304 PolarHBondContact O-N 3.16Å; Y304-N306 PolarHBondContact O-N 3.24Å; Y304-S307 PolarHBondContact O-OG 3.45Å
305	L	92.4	Very high	81.1	Confident	1 Å²	1	69 Å²	69	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-75.4	-14.1	179.8	-66.9	173.3	0	0	0	112.9	W231 F264 L266 L290 L301 L303 V316 L318	W231-L305 WeakPolarHBondContact CZ2-O 3.39Å; F264-L305 HydrophobicContact CB-CD2 4.27Å; F264-L305 HydrophobicContact CD1-CD2 4.01Å; F264-L305 HydrophobicContact CG-CD2 4.3Å; L266-L305 HydrophobicContact CD1-CD1 4.33Å; L266-L305 HydrophobicContact CD1-CD2 4.33Å; L290-L305 HydrophobicContact CD2-CD1 4.33Å; L301-L305 WeakPolarHBondContact O-CB 3.47Å; L301-L305 VanDerWaalsContact O-CG 3.28Å; L301-L305 WeakPolarHBondContact O-CG 3.3Å; L301-L305 PolarHBondContact O-N 3.01Å; L303-L305 PolarHBondContact O-N 2.84Å; L305-V316 HydrophobicContact CB-CB 4.03Å; L305-V316 HydrophobicContact CB-CG2 4.17Å; L305-V316 HydrophobicContact CD2-CG2 4.22Å; L305-L318 HydrophobicContact CD1-CD2 4.06Å
306	N	86.8	Confident	81	Confident	60 Å²	60	62.9 Å²	62.9	32%	0.321	35%	0.348	S	S	.	.	H	α-helix	trans	-116.8	7.1	179	-69.8	-42.3	0	0	0	114.2	K302 L303 Y304 T308 C309	K302-N306 VanDerWaalsContact O-CB 3.29Å; K302-N306 WeakPolarHBondContact O-CB 3.46Å; K302-N306 PolarHBondContact O-N 3.49Å; K302-N306 PolarHBondContact O-ND2 3.24Å; L303-N306 CarbonylContact O-C 3.51Å; L303-N306 PolarHBondContact O-N 2.85Å; Y304-N306 PolarHBondContact O-N 3.24Å; N306-T308 PolarHBondContact O-N 2.83Å; N306-C309 WeakPolarHBondContact O-CB 3.37Å; N306-C309 PolarHBondContact O-N 2.74Å; N306-C309 PolarHBondContact O-SG 3.02Å; N306-C309 VanDerWaalsContact O-SG 3.35Å; N306-C309 PolarHBondContact OD1-SG 3.24Å
307	S	75.1	Confident	81.1	Confident	80 Å²	80	66 Å²	66	56%	0.559	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.4	-170.5	65.8	0	0	0	0	114	L303 Y304	L303-S307 WeakPolarHBondContact O-CA 3.49Å; L303-S307 WeakPolarHBondContact O-CB 3.35Å; L303-S307 PolarHBondContact O-N 3.35Å; Y304-S307 PolarHBondContact O-OG 3.45Å
308	T	66.5	Low	81.1	Confident	55 Å²	55	67.4 Å²	67.4	34%	0.337	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	24	-176.2	49.5	0	0	0	0	113	Q232 N306 F310	Q232-T308 PolarHBondContact NE2-OG1 3.4Å; N306-T308 PolarHBondContact O-N 2.83Å; T308-F310 PolarHBondContact O-N 2.83Å
309	C	71.4	Confident	81.1	Confident	44 Å²	44	66.5 Å²	66.5	30%	0.297	36%	0.364	S	S	.	.			trans	-58.5	-13.6	-178.4	-90.1	0	0	0	0	116	N306 C315	N306-C309 WeakPolarHBondContact O-CB 3.37Å; N306-C309 PolarHBondContact O-N 2.74Å; N306-C309 PolarHBondContact O-SG 3.02Å; N306-C309 VanDerWaalsContact O-SG 3.35Å; N306-C309 PolarHBondContact OD1-SG 3.24Å; C309-C315 VanDerWaalsContact CA-SG 3.52Å; C309-C315 HydrophobicContact CB-CB 4.42Å; C309-C315 WeakPolarHBondContact CB-SG 3.48Å; C309-C315 WeakPolarHBondContact SG-CA 3.46Å; C309-C315 WeakPolarHBondContact SG-CB 3.26Å; C309-C315 CovalentContact SG-SG 2.02Å; C309-C315 PolarHBondContact SG-SG 3.38Å
310	F	56.2	Low	81.3	Confident	189 Å²	189	63.8 Å²	63.8	83%	0.829	35%	0.351	S	S	*	.	S	Bend	trans	-135.8	136	178.6	-167.1	-90.9	0	0	0	109.1	T308	T308-F310 PolarHBondContact O-N 2.83Å
311	P	54.4	Low	81.4	Confident	112 Å²	112	59.1 Å²	59.1	73%	0.727	32%	0.324	S	S	*	.	S	Bend	cis	-97	2.9	8.4	37	-34	0	0	0	115.2
312	L	55.2	Low	81.5	Confident	109 Å²	109	64.7 Å²	64.7	57%	0.571	35%	0.35	S	S	*	.	S	Bend	trans	-105.7	134.8	-176.7	-63.7	160.1	0	0	0	108.9	H314	L312-H314 WeakPolarHBondContact CB-CD2 3.37Å; L312-H314 WeakPolarHBondContact CB-NE2 3.44Å; L312-H314 WeakPolarHBondContact CD1-NE2 3.03Å; L312-H314 PolarHBondContact O-N 2.96Å
313	A	54.4	Low	81.6	Confident	69 Å²	69	65.5 Å²	65.5	57%	0.57	36%	0.355	S	S	*	.	S	Bend	trans	-65.2	68.1	-177.3	0	0	0	0	0	113.1	N286	N286-A313 CarbonylContact C-O 3.52Å
314	H	64.1	Low	81.9	Confident	34 Å²	34	60.1 Å²	60.1	16%	0.157	33%	0.327	C	S	.	.			trans	-117.1	15.4	-174.5	-60.2	-66.6	0	0	0	113.6	W231 R239 L312 V316	W231-H314 WeakPolarHBondContact CH2-O 3.09Å; R239-H314 PolarHBondContact NH1-CE1 3.28Å; R239-H314 PolarHBondContact NH1-ND1 3.14Å; L312-H314 WeakPolarHBondContact CB-CD2 3.37Å; L312-H314 WeakPolarHBondContact CB-NE2 3.44Å; L312-H314 WeakPolarHBondContact CD1-NE2 3.03Å; L312-H314 PolarHBondContact O-N 2.96Å; H314-V316 PolarHBondContact O-N 2.63Å
315	C	80.9	Confident	82.1	Confident	47 Å²	47	61.7 Å²	61.7	32%	0.318	33%	0.333	S	S	.	.			trans	-64.2	131.3	177.1	-58.2	0	0	0	0	110.6	C309 Q317	C309-C315 VanDerWaalsContact CA-SG 3.52Å; C309-C315 HydrophobicContact CB-CB 4.42Å; C309-C315 WeakPolarHBondContact CB-SG 3.48Å; C309-C315 WeakPolarHBondContact SG-CA 3.46Å; C309-C315 WeakPolarHBondContact SG-CB 3.26Å; C309-C315 CovalentContact SG-SG 2.02Å; C309-C315 PolarHBondContact SG-SG 3.38Å; C315-Q317 PolarHBondContact O-N 3.31Å
316	V	93.1	Very high	82.4	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.024	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	113.7	169.2	-178.5	0	0	0	0	108.1	W231 F264 I288 L290 L305 H314 L318	W231-V316 HydrophobicContact CH2-CG2 3.91Å; W231-V316 HydrophobicContact CZ2-CG2 4.49Å; W231-V316 HydrophobicContact CZ3-CG2 3.98Å; F264-V316 HydrophobicContact CD1-CG2 4.35Å; F264-V316 HydrophobicContact CE1-CG1 4.44Å; F264-V316 HydrophobicContact CE1-CG2 3.78Å; F264-V316 HydrophobicContact CZ-CG1 4.48Å; I288-V316 HydrophobicContact CB-CG2 4.44Å; I288-V316 HydrophobicContact CD1-CG2 4.27Å; I288-V316 HydrophobicContact CG2-CG1 4.35Å; I288-V316 HydrophobicContact CG2-CG2 4.21Å; L290-V316 HydrophobicContact CB-CG1 3.61Å; L290-V316 HydrophobicContact CD2-CG1 4.1Å; L305-V316 HydrophobicContact CB-CB 4.03Å; L305-V316 HydrophobicContact CB-CG2 4.17Å; L305-V316 HydrophobicContact CD2-CG2 4.22Å; H314-V316 PolarHBondContact O-N 2.63Å; V316-L318 HydrophobicContact CG1-CD2 4.2Å; V316-L318 PolarHBondContact O-N 3.35Å
317	Q	94.4	Very high	82.9	Confident	73 Å²	73	65.2 Å²	65.2	34%	0.341	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	112.3	174.6	-58	179.5	16.5	0	0	108.5	E287 I288 W289 L290 C315	E287-Q317 PolarHBondContact OE1-NE2 3.37Å; I288-Q317 PolarHBondContact O-N 3.01Å; W289-Q317 VanDerWaalsContact CD1-OE1 3.31Å; W289-Q317 VanDerWaalsContact NE1-OE1 3.1Å; L290-Q317 PolarHBondContact N-O 3.21Å; C315-Q317 PolarHBondContact O-N 3.31Å
318	L	96.4	Very high	84	Confident	36 Å²	36	61.6 Å²	61.6	19%	0.188	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	122.5	175.7	-60.2	178.5	0	0	0	110	L290 V292 K294 V297 K302 L305 V316	L290-L318 HydrophobicContact CB-CD2 4.19Å; L290-L318 HydrophobicContact CD2-CD2 3.79Å; L290-L318 HydrophobicContact CG-CD2 4.13Å; V292-L318 HydrophobicContact CG1-CD2 4.15Å; K294-L318 HydrophobicContact CD-CB 4.1Å; K294-L318 HydrophobicContact CG-CB 4.1Å; V297-L318 HydrophobicContact CB-CD1 4.36Å; V297-L318 HydrophobicContact CG1-CD1 3.98Å; K302-L318 HydrophobicContact CG-CD1 3.97Å; L305-L318 HydrophobicContact CD1-CD2 4.06Å; V316-L318 HydrophobicContact CG1-CD2 4.2Å; V316-L318 PolarHBondContact O-N 3.35Å
319	L	97.9	Very high	85.5	Confident	26 Å²	26	65.7 Å²	65.7	14%	0.136	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.2	178.7	-60.1	173	0	0	0	109.3	W289 L290 F291 V292 M327	W289-L319 HydrophobicContact CB-CD1 3.92Å; W289-L319 HydrophobicContact CD2-CD1 4.33Å; W289-L319 HydrophobicContact CG-CD1 4.06Å; L290-L319 PolarHBondContact O-N 3.45Å; F291-L319 WeakPolarHBondContact CA-O 3.44Å; F291-L319 HydrophobicContact CD1-CB 3.66Å; F291-L319 HydrophobicContact CD1-CD1 4.03Å; F291-L319 HydrophobicContact CE1-CB 3.86Å; F291-L319 HydrophobicContact CE1-CD1 3.39Å; F291-L319 HydrophobicContact CE1-CG 4.28Å; F291-L319 HydrophobicContact CE2-CD1 4.48Å; F291-L319 HydrophobicContact CG-CB 4.42Å; F291-L319 HydrophobicContact CZ-CD1 3.67Å; V292-L319 PolarHBondContact N-O 2.89Å; L319-M327 HydrophobicContact CD1-CE 3.87Å; L319-M327 HydrophobicContact CD1-CG 4.2Å; L319-M327 HydrophobicContact CD2-CE 4.47Å
320	E	98.1	Very high	86.7	Confident	65 Å²	65	68.2 Å²	68.2	30%	0.304	35%	0.352	S	S	.	.			trans	-64.6	144.5	175.9	-61.3	-64.6	172.5	0	0	110.2	K294 E322 Q323	K294-E320 VanDerWaalsContact CE-CG 3.48Å; K294-E320 WeakPolarHBondContact CE-OE1 3.18Å; K294-E320 WeakPolarHBondContact CE-OE2 3.25Å; K294-E320 VanDerWaalsContact NZ-CD 3.33Å; K294-E320 IonicContact NZ-OE1 3.47Å; K294-E320 PolarHBondContact NZ-OE1 2.94Å; E320-E322 PolarHBondContact O-N 3.27Å; E320-Q323 HydrophobicContact CB-CG 4.02Å; E320-Q323 WeakPolarHBondContact O-CB 3.48Å; E320-Q323 PolarHBondContact O-N 3.31Å
321	Y	97.6	Very high	88.6	Confident	27 Å²	27	60.4 Å²	60.4	11%	0.106	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-52.1	-43	-178.8	177	-100.9	0	0	0	112.4	H93 Y280 V292 H293 Q323 V324	H93-Y321 AromaticContact CE1-CE2 3.77Å; H93-Y321 AromaticContact NE2-CE2 3.39Å; H93-Y321 WeakPolarHBondContact NE2-CE2 3.36Å; H93-Y321 AromaticContact NE2-CZ 3.45Å; H93-Y321 PolarHBondContact NE2-OH 2.88Å; Y280-Y321 HydrophobicContact CD2-CD2 4.17Å; Y280-Y321 AromaticContact CD2-CE2 3.71Å; Y280-Y321 HydrophobicContact CD2-CE2 3.71Å; Y280-Y321 HydrophobicContact CE2-CD2 4.3Å; Y280-Y321 AromaticContact CE2-CE2 3.48Å; Y280-Y321 HydrophobicContact CE2-CE2 3.48Å; Y280-Y321 VanDerWaalsContact CE2-CE2 3.48Å; Y280-Y321 AromaticContact CE2-CZ 3.64Å; V292-Y321 PolarHBondContact O-N 2.8Å; H293-Y321 AromaticContact CE1-CD1 3.92Å; H293-Y321 AromaticContact CE1-CG 3.75Å; H293-Y321 AromaticContact NE2-CD1 3.96Å; Y321-Q323 PolarHBondContact O-N 3.21Å; Y321-V324 PolarHBondContact O-N 2.87Å
322	E	96.3	Very high	90.6	Very high	126 Å²	126	55.6 Å²	55.6	59%	0.589	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-69.7	-16.4	-177.6	-61.8	72.2	-158	0	0	113.5	H293 E320 V324	H293-E322 IonicContact NE2-OE1 3.17Å; E320-E322 PolarHBondContact O-N 3.27Å; E322-V324 VanDerWaalsContact C-N 3.28Å; E322-V324 PolarHBondContact O-N 2.67Å
323	Q	97.9	Very high	92.6	Very high	83 Å²	83	54.4 Å²	54.4	39%	0.388	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-79.8	-7.8	-176.7	-69.9	178.9	-26.5	0	0	113.5	F291 E320 Y321 R325 V326 M327	F291-Q323 HydrophobicContact CD1-CB 4.45Å; F291-Q323 HydrophobicContact CE1-CB 4.46Å; E320-Q323 HydrophobicContact CB-CG 4.02Å; E320-Q323 WeakPolarHBondContact O-CB 3.48Å; E320-Q323 PolarHBondContact O-N 3.31Å; Y321-Q323 PolarHBondContact O-N 3.21Å; Q323-R325 VanDerWaalsContact C-N 3.33Å; Q323-R325 PolarHBondContact O-N 3.25Å; Q323-V326 PolarHBondContact O-N 3.37Å; Q323-V326 VanDerWaalsContact O-N 3.15Å; Q323-M327 HydrophobicContact CB-CG 4.2Å; Q323-M327 WeakPolarHBondContact O-CB 3.36Å; Q323-M327 WeakPolarHBondContact O-CG 3.41Å; Q323-M327 PolarHBondContact O-N 3.13Å
324	V	98.3	Very high	94.4	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-51.4	-47.1	-174	64.5	0	0	0	0	113.2	Y280 F291 Y321 E322 L328 L350	Y280-V324 HydrophobicContact CD1-CG2 4.46Å; Y280-V324 HydrophobicContact CD2-CB 3.94Å; Y280-V324 HydrophobicContact CD2-CG1 3.79Å; Y280-V324 HydrophobicContact CD2-CG2 3.89Å; Y280-V324 HydrophobicContact CE2-CG1 3.92Å; Y280-V324 HydrophobicContact CG-CB 4.35Å; Y280-V324 HydrophobicContact CG-CG1 4.49Å; Y280-V324 HydrophobicContact CG-CG2 3.79Å; F291-V324 HydrophobicContact CB-CB 4.36Å; F291-V324 HydrophobicContact CD1-CB 3.9Å; F291-V324 HydrophobicContact CD1-CG2 4.48Å; F291-V324 HydrophobicContact CD2-CB 4.21Å; F291-V324 HydrophobicContact CD2-CG2 3.95Å; F291-V324 VanDerWaalsContact CE1-CA 3.46Å; F291-V324 HydrophobicContact CE1-CB 4.23Å; F291-V324 HydrophobicContact CE2-CG2 4.11Å; F291-V324 HydrophobicContact CG-CB 3.88Å; F291-V324 HydrophobicContact CG-CG2 4.15Å; F291-V324 HydrophobicContact CZ-CG2 4.44Å; Y321-V324 PolarHBondContact O-N 2.87Å; E322-V324 VanDerWaalsContact C-N 3.28Å; E322-V324 PolarHBondContact O-N 2.67Å; V324-L328 WeakPolarHBondContact O-CB 3.46Å; V324-L328 PolarHBondContact O-N 3.39Å; V324-L350 HydrophobicContact CG1-CD2 4.11Å; V324-L350 HydrophobicContact CG2-CD1 4.1Å; V324-L350 HydrophobicContact CG2-CD2 3.82Å
325	R	97.6	Very high	95.8	Very high	52 Å²	52	58.5 Å²	58.5	20%	0.196	32%	0.316	C	S	.	.	H	α-helix	trans	-66.8	-44.2	-178.9	-73.6	-178.2	63.5	99.8	1	112.4	F175 Q323 K329 A349 L350 E352 L353	F175-R325 VanDerWaalsContact CZ-CD 3.41Å; F175-R325 HydrophobicContact CZ-CG 3.81Å; Q323-R325 VanDerWaalsContact C-N 3.33Å; Q323-R325 PolarHBondContact O-N 3.25Å; R325-K329 VanDerWaalsContact O-CB 3.3Å; R325-K329 WeakPolarHBondContact O-CB 3.38Å; R325-K329 PolarHBondContact O-N 2.79Å; R325-A349 VanDerWaalsContact NH1-C 3.31Å; R325-A349 PolarHBondContact NH1-O 3.22Å; R325-L350 HydrophobicContact CG-CD2 4Å; R325-E352 IonicContact CZ-OE1 3.68Å; R325-E352 VanDerWaalsContact CZ-OE1 3.25Å; R325-E352 IonicContact NH1-OE1 3.49Å; R325-E352 PolarHBondContact NH1-OE1 2.87Å; R325-E352 IonicContact NH2-OE1 3.57Å; R325-E352 PolarHBondContact NH2-OE1 2.81Å; R325-L353 HydrophobicContact CB-CD1 3.92Å; R325-L353 HydrophobicContact CG-CD1 4.03Å
326	V	97.9	Very high	96.4	Very high	89 Å²	89	59.5 Å²	59.5	54%	0.539	33%	0.334	S	S	.	.	H	α-helix	trans	-65.3	-45.6	-178.6	175.3	0	0	0	0	110.1	Q323 K329 N330	Q323-V326 PolarHBondContact O-N 3.37Å; Q323-V326 VanDerWaalsContact O-N 3.15Å; V326-K329 PolarHBondContact O-N 2.42Å; V326-N330 VanDerWaalsContact O-CG 3.25Å; V326-N330 PolarHBondContact O-N 3.1Å; V326-N330 PolarHBondContact O-ND2 2.94Å
327	M	98.1	Very high	96.5	Very high	47 Å²	47	59.8 Å²	59.8	23%	0.232	34%	0.336	C	S	.	.	H	α-helix	trans	-68.4	-41.8	-179.8	-68.9	-63.5	-70	0	0	112	W289 F291 L319 Q323 N330 Y331	W289-M327 HydrophobicContact CE3-CB 4.45Å; W289-M327 HydrophobicContact CE3-CE 4.39Å; W289-M327 HydrophobicContact CH2-CE 4.26Å; W289-M327 HydrophobicContact CZ2-CE 4.5Å; W289-M327 HydrophobicContact CZ3-CB 4.26Å; W289-M327 HydrophobicContact CZ3-CE 4.19Å; F291-M327 HydrophobicContact CE1-CB 3.64Å; F291-M327 HydrophobicContact CE1-CG 3.82Å; F291-M327 HydrophobicContact CZ-CB 3.64Å; F291-M327 HydrophobicContact CZ-CG 4.27Å; L319-M327 HydrophobicContact CD1-CE 3.87Å; L319-M327 HydrophobicContact CD1-CG 4.2Å; L319-M327 HydrophobicContact CD2-CE 4.47Å; Q323-M327 HydrophobicContact CB-CG 4.2Å; Q323-M327 WeakPolarHBondContact O-CB 3.36Å; Q323-M327 WeakPolarHBondContact O-CG 3.41Å; Q323-M327 PolarHBondContact O-N 3.13Å; M327-N330 PolarHBondContact O-N 3.15Å; M327-Y331 WeakPolarHBondContact O-CB 3.36Å; M327-Y331 PolarHBondContact O-N 2.97Å
328	L	97.8	Very high	96.7	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-61.2	-45.8	174.1	-178.7	58.7	0	0	0	111.1	L253 V324 N330 Y331 M332 L350 L353	L253-L328 HydrophobicContact CD2-CD2 3.98Å; V324-L328 WeakPolarHBondContact O-CB 3.46Å; V324-L328 PolarHBondContact O-N 3.39Å; L328-N330 VanDerWaalsContact C-N 3.3Å; L328-N330 PolarHBondContact O-N 2.75Å; L328-Y331 WeakPolarHBondContact O-CB 3.33Å; L328-Y331 PolarHBondContact O-N 3.31Å; L328-Y331 VanDerWaalsContact O-N 3.13Å; L328-M332 HydrophobicContact CD1-CG 4.23Å; L328-M332 HydrophobicContact CD1-SD 4.42Å; L328-M332 HydrophobicContact CG-CG 4.4Å; L328-M332 VanDerWaalsContact O-CG 3.28Å; L328-M332 WeakPolarHBondContact O-CG 3.35Å; L328-M332 PolarHBondContact O-N 2.81Å; L328-L350 HydrophobicContact CD2-CB 3.99Å; L328-L350 HydrophobicContact CD2-CD2 4.12Å; L328-L353 HydrophobicContact CD2-CB 4.29Å; L328-L353 HydrophobicContact CD2-CD1 4.33Å; L328-L353 HydrophobicContact CG-CB 4.49Å
329	K	97.3	Very high	96.8	Very high	141 Å²	141	57.5 Å²	57.5	61%	0.613	32%	0.324	S	S	*	.	H	α-helix	trans	-58.1	-42.2	176.6	-174.5	177.9	-178.9	178.2	0	112.3	R325 V326 M332 A333	R325-K329 VanDerWaalsContact O-CB 3.3Å; R325-K329 WeakPolarHBondContact O-CB 3.38Å; R325-K329 PolarHBondContact O-N 2.79Å; V326-K329 PolarHBondContact O-N 2.42Å; K329-M332 PolarHBondContact O-N 2.78Å; K329-A333 PolarHBondContact O-N 3.06Å
330	N	96.8	Very high	96.9	Very high	97 Å²	97	57.4 Å²	57.4	52%	0.519	32%	0.321	S	S	.	.	H	α-helix	trans	-66	-41.5	176.1	-69	-17.3	0	0	0	111.7	V326 M327 L328 M332 A333	V326-N330 VanDerWaalsContact O-CG 3.25Å; V326-N330 PolarHBondContact O-N 3.1Å; V326-N330 PolarHBondContact O-ND2 2.94Å; M327-N330 PolarHBondContact O-N 3.15Å; L328-N330 VanDerWaalsContact C-N 3.3Å; L328-N330 PolarHBondContact O-N 2.75Å; N330-M332 VanDerWaalsContact C-N 3.33Å; N330-M332 PolarHBondContact O-N 3.32Å; N330-A333 WeakPolarHBondContact O-CB 3.42Å; N330-A333 PolarHBondContact O-N 3.38Å
331	Y	96.1	Very high	96.9	Very high	25 Å²	25	54.3 Å²	54.3	10%	0.098	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-44	174.8	-175.2	-104.4	0	0	0	111.6	T250 A251 L282 T284 W289 M327 L328 A333 T334 V337 V339	T250-Y331 PolarHBondContact OG1-OH 3.11Å; A251-Y331 HydrophobicContact CB-CE1 3.95Å; L282-Y331 HydrophobicContact CD2-CD1 3.92Å; L282-Y331 HydrophobicContact CD2-CD2 4.21Å; L282-Y331 HydrophobicContact CD2-CE1 4.26Å; L282-Y331 HydrophobicContact CD2-CG 3.89Å; T284-Y331 HydrophobicContact CG2-CE2 4.01Å; W289-Y331 AromaticContact CH2-CD2 3.83Å; W289-Y331 HydrophobicContact CH2-CD2 3.83Å; W289-Y331 HydrophobicContact CH2-CG 4.31Å; W289-Y331 HydrophobicContact CZ3-CD2 4.26Å; W289-Y331 HydrophobicContact CZ3-CG 4.34Å; M327-Y331 WeakPolarHBondContact O-CB 3.36Å; M327-Y331 PolarHBondContact O-N 2.97Å; L328-Y331 WeakPolarHBondContact O-CB 3.33Å; L328-Y331 PolarHBondContact O-N 3.31Å; L328-Y331 VanDerWaalsContact O-N 3.13Å; Y331-A333 PolarHBondContact O-N 3.29Å; Y331-T334 VanDerWaalsContact O-CB 3.23Å; Y331-T334 WeakPolarHBondContact O-CB 3.45Å; Y331-T334 PolarHBondContact O-N 3.15Å; Y331-T334 PolarHBondContact O-OG1 3.26Å; Y331-V337 HydrophobicContact CD1-CG1 4.46Å; Y331-V337 HydrophobicContact CE1-CB 3.96Å; Y331-V337 HydrophobicContact CE1-CG1 3.96Å; Y331-V337 HydrophobicContact CE2-CG1 4.29Å; Y331-V339 HydrophobicContact CD1-CG2 4.27Å; Y331-V339 HydrophobicContact CE1-CG2 3.96Å
332	M	97.1	Very high	96.8	Very high	11 Å²	11	53.2 Å²	53.2	5%	0.054	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-21	178.1	-67.4	-51	-56.4	0	0	113.9	L328 K329 N330 T334 V337 V339 L353 I354 K359	L328-M332 HydrophobicContact CD1-CG 4.23Å; L328-M332 HydrophobicContact CD1-SD 4.42Å; L328-M332 HydrophobicContact CG-CG 4.4Å; L328-M332 VanDerWaalsContact O-CG 3.28Å; L328-M332 WeakPolarHBondContact O-CG 3.35Å; L328-M332 PolarHBondContact O-N 2.81Å; K329-M332 PolarHBondContact O-N 2.78Å; N330-M332 VanDerWaalsContact C-N 3.33Å; N330-M332 PolarHBondContact O-N 3.32Å; M332-T334 PolarHBondContact O-N 3.19Å; M332-V337 HydrophobicContact CE-CG2 4.14Å; M332-V337 HydrophobicContact SD-CG2 4.29Å; M332-V339 HydrophobicContact SD-CG2 3.62Å; M332-L353 WeakPolarHBondContact CG-O 3.3Å; M332-I354 HydrophobicContact CE-CB 4.32Å; M332-I354 HydrophobicContact CE-CG2 3.71Å; M332-I354 HydrophobicContact SD-CG1 4.47Å; M332-I354 HydrophobicContact SD-CG2 4.11Å; M332-K359 HydrophobicContact CE-CB 3.57Å; M332-K359 HydrophobicContact CE-CD 3.47Å; M332-K359 VanDerWaalsContact CE-CD 3.47Å; M332-K359 HydrophobicContact CE-CG 4.16Å; M332-K359 PolarHBondContact O-NZ 3.2Å
333	A	95.8	Very high	96.8	Very high	84 Å²	84	49.2 Å²	49.2	69%	0.694	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.3	172.8	0	0	0	0	0	113.3	K329 N330 Y331	K329-A333 PolarHBondContact O-N 3.06Å; N330-A333 WeakPolarHBondContact O-CB 3.42Å; N330-A333 PolarHBondContact O-N 3.38Å; Y331-A333 PolarHBondContact O-N 3.29Å
334	T	94.1	Very high	96.5	Very high	74 Å²	74	47.6 Å²	47.6	45%	0.454	28%	0.28	S	S	.	.	S	Bend	trans	-76.1	143.5	179	-53.4	0	0	0	0	111	Y331 M332 V337 K359	Y331-T334 VanDerWaalsContact O-CB 3.23Å; Y331-T334 WeakPolarHBondContact O-CB 3.45Å; Y331-T334 PolarHBondContact O-N 3.15Å; Y331-T334 PolarHBondContact O-OG1 3.26Å; M332-T334 PolarHBondContact O-N 3.19Å; T334-V337 HydrophobicContact CG2-CG1 4.08Å; T334-V337 WeakPolarHBondContact O-CG2 3.28Å; T334-K359 PolarHBondContact O-NZ 3.48Å
335	S	92.9	Very high	96.2	Very high	114 Å²	114	49.6 Å²	49.6	80%	0.797	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	144.1	177.1	-62.8	0	0	0	0	111.7	V337	S335-V337 VanDerWaalsContact C-N 3.27Å; S335-V337 PolarHBondContact O-N 2.7Å
336	G	93	Very high	96.2	Very high	69 Å²	69	47.3 Å²	47.3	71%	0.711	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	9.9	174.9	0	0	0	0	0	115.3	T250	T250-G336 WeakPolarHBondContact CG2-O 3.4Å
337	V	96.2	Very high	96.1	Very high	10 Å²	10	43 Å²	43	6%	0.061	25%	0.254	C	S	.	.			trans	-77.8	140.3	176.3	-54.8	0	0	0	0	111.4	T250 Y331 M332 T334 S335 K359	T250-V337 WeakPolarHBondContact OG1-CA 3.3Å; Y331-V337 HydrophobicContact CD1-CG1 4.46Å; Y331-V337 HydrophobicContact CE1-CB 3.96Å; Y331-V337 HydrophobicContact CE1-CG1 3.96Å; Y331-V337 HydrophobicContact CE2-CG1 4.29Å; M332-V337 HydrophobicContact CE-CG2 4.14Å; M332-V337 HydrophobicContact SD-CG2 4.29Å; T334-V337 HydrophobicContact CG2-CG1 4.08Å; T334-V337 WeakPolarHBondContact O-CG2 3.28Å; S335-V337 VanDerWaalsContact C-N 3.27Å; S335-V337 PolarHBondContact O-N 2.7Å; V337-K359 HydrophobicContact CG2-CD 3.65Å; V337-K359 HydrophobicContact CG2-CG 4.44Å; V337-K359 WeakPolarHBondContact O-CG 3.37Å
338	K	97.9	Very high	96.1	Very high	61 Å²	61	42.1 Å²	42.1	27%	0.265	25%	0.248	S	C	.	.			trans	-140.3	114.1	170.4	-176.1	178.7	-66.1	179.7	0	109.3	Y247 P249 T250 A251 K359 L361	Y247-K338 WeakPolarHBondContact O-CD 3.44Å; Y247-K338 PolarHBondContact O-NZ 2.62Å; P249-K338 CarbonylContact C-O 3.57Å; T250-K338 PolarHBondContact N-O 3.28Å; T250-K338 PolarHBondContact OG1-N 3.37Å; T250-K338 PolarHBondContact OG1-O 3.4Å; A251-K338 PolarHBondContact N-O 2.93Å; A251-K338 VanDerWaalsContact N-O 3.15Å; K338-K359 CarbonylContact C-O 3.58Å; K338-K359 VanDerWaalsContact CA-O 3.28Å; K338-K359 WeakPolarHBondContact CA-O 3.37Å; K338-L361 HydrophobicContact CD-CB 4.41Å; K338-L361 HydrophobicContact CG-CB 4.31Å
339	V	98.6	Very high	96.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.7	-175.5	-177.8	0	0	0	0	109.5	A251 L253 Y331 M332 I341 I354 K359 L361	A251-V339 HydrophobicContact CB-CG2 4.42Å; L253-V339 HydrophobicContact CB-CG1 3.8Å; Y331-V339 HydrophobicContact CD1-CG2 4.27Å; Y331-V339 HydrophobicContact CE1-CG2 3.96Å; M332-V339 HydrophobicContact SD-CG2 3.62Å; V339-I341 HydrophobicContact CG1-CG2 3.96Å; V339-I354 HydrophobicContact CB-CD1 4.27Å; V339-I354 HydrophobicContact CB-CG2 4.2Å; V339-I354 HydrophobicContact CG1-CD1 3.94Å; V339-K359 PolarHBondContact N-O 3.48Å; V339-L361 PolarHBondContact O-N 3.1Å
340	W	98.7	Very high	96.2	Very high	24 Å²	24	35.2 Å²	35.2	9%	0.091	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.8	173	-171.9	9.3	0	0	0	110.6	M242 P249 A251 V252 L253 L361 S363 P367	M242-W340 HydrophobicContact CG-CE3 4.41Å; P249-W340 HydrophobicContact CB-CB 3.77Å; P249-W340 HydrophobicContact CG-CB 4.15Å; P249-W340 HydrophobicContact CG-CD2 4.36Å; P249-W340 HydrophobicContact CG-CE3 3.82Å; A251-W340 PolarHBondContact O-N 3.11Å; V252-W340 WeakPolarHBondContact CA-O 3.31Å; V252-W340 HydrophobicContact CG2-CB 4.14Å; V252-W340 HydrophobicContact CG2-CD2 4.42Å; V252-W340 HydrophobicContact CG2-CE3 3.88Å; L253-W340 PolarHBondContact N-O 2.91Å; W340-L361 CarbonylContact C-O 3.48Å; W340-L361 VanDerWaalsContact CA-O 3.28Å; W340-L361 WeakPolarHBondContact CA-O 3.28Å; W340-L361 HydrophobicContact CB-CB 4.28Å; W340-L361 HydrophobicContact CB-CD2 4.1Å; W340-L361 HydrophobicContact CB-CG 4.38Å; W340-L361 HydrophobicContact CD2-CD2 4.13Å; W340-L361 HydrophobicContact CG-CB 4.45Å; W340-L361 HydrophobicContact CG-CD2 3.84Å; W340-L361 HydrophobicContact CG-CG 4.07Å; W340-S363 PolarHBondContact NE1-OG 2.85Å; W340-P367 HydrophobicContact CD2-CG 4.26Å; W340-P367 HydrophobicContact CE3-CB 4.48Å; W340-P367 HydrophobicContact CE3-CG 3.8Å; W340-P367 HydrophobicContact CH2-CB 3.68Å; W340-P367 HydrophobicContact CH2-CG 3.85Å; W340-P367 HydrophobicContact CZ2-CB 4.32Å; W340-P367 HydrophobicContact CZ2-CG 4.28Å; W340-P367 HydrophobicContact CZ3-CB 3.78Å; W340-P367 HydrophobicContact CZ3-CG 3.59Å
341	I	98.4	Very high	96.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	154.8	176.5	71.2	172.7	0	0	0	111.9	I179 L253 V339 T346 Y351 I354 L360 L361 T362 S363	I179-I341 HydrophobicContact CD1-CD1 3.76Å; L253-I341 HydrophobicContact CB-CG2 4.08Å; L253-I341 HydrophobicContact CD2-CG2 4.26Å; V339-I341 HydrophobicContact CG1-CG2 3.96Å; I341-T346 HydrophobicContact CB-CG2 4.48Å; I341-T346 HydrophobicContact CD1-CG2 4.08Å; I341-Y351 HydrophobicContact CD1-CD2 3.77Å; I341-Y351 HydrophobicContact CD1-CE2 4.49Å; I341-I354 HydrophobicContact CG2-CD1 3.7Å; I341-L360 HydrophobicContact CD1-CD1 3.67Å; I341-L360 HydrophobicContact CG1-CD1 3.85Å; I341-L360 HydrophobicContact CG2-CD1 4.5Å; I341-L361 PolarHBondContact N-O 3.24Å; I341-T362 HydrophobicContact CD1-CG2 4.32Å; I341-T362 HydrophobicContact CG1-CG2 4.02Å; I341-S363 PolarHBondContact O-N 3.15Å; I341-S363 VanDerWaalsContact O-N 3.1Å
342	G	96.9	Very high	96.3	Very high	4 Å²	4	34.9 Å²	34.9	4%	0.041	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.9	161.7	0	0	0	0	0	110.5	E344 T346 S363 A364	G342-E344 PolarHBondContact O-N 3.06Å; G342-T346 VanDerWaalsContact O-CB 3.28Å; G342-T346 WeakPolarHBondContact O-CB 3.42Å; G342-T346 PolarHBondContact O-N 2.71Å; G342-T346 PolarHBondContact O-OG1 3.32Å; G342-S363 CarbonylContact C-O 3.52Å; G342-S363 VanDerWaalsContact CA-O 3.3Å; G342-S363 WeakPolarHBondContact CA-O 3.41Å; G342-A364 CarbonylContact C-O 3.58Å
343	T	95.1	Very high	96.3	Very high	41 Å²	41	35.7 Å²	35.7	25%	0.252	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.7	-172.5	54.5	0	0	0	0	114.5	I179 T362 S363 A364	I179-T343 HydrophobicContact CD1-CG2 4.26Å; T343-T362 HydrophobicContact CG2-CG2 3.86Å; T343-S363 PolarHBondContact N-O 3.48Å; T343-S363 PolarHBondContact OG1-O 3.37Å; T343-A364 PolarHBondContact N-O 2.76Å; T343-A364 WeakPolarHBondContact OG1-CA 3.3Å
344	E	91.8	Very high	96.4	Very high	49 Å²	49	32.1 Å²	32.1	23%	0.229	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-35.5	-176.7	-64.4	-79.6	155.2	0	0	112.4	G342 A364 Y365 N560	G342-E344 PolarHBondContact O-N 3.06Å; E344-A364 WeakPolarHBondContact CB-O 3.17Å; E344-A364 HydrophobicContact CG-CB 4.45Å; E344-A364 WeakPolarHBondContact CG-O 3.21Å; E344-A364 PolarHBondContact N-O 2.94Å; E344-Y365 HydrophobicContact CB-CD1 3.93Å; E344-Y365 HydrophobicContact CB-CE1 3.62Å; E344-Y365 HydrophobicContact CG-CD1 4.02Å; E344-Y365 HydrophobicContact CG-CE1 3.54Å; E344-Y365 HydrophobicContact CG-CE2 4.47Å; E344-N560 PolarHBondContact OE2-ND2 2.72Å
345	Y	92.2	Very high	96.5	Very high	46 Å²	46	32.9 Å²	32.9	18%	0.18	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	5.2	-173.6	-72.4	-76.7	0	0	0	115	L94 S255 A256 Y365 L369 W553	L94-Y345 HydrophobicContact CB-CD1 4.41Å; S255-Y345 WeakPolarHBondContact CB-O 3.47Å; A256-Y345 HydrophobicContact CB-CD1 4.34Å; A256-Y345 HydrophobicContact CB-CG 4.19Å; Y345-Y365 HydrophobicContact CD2-CD1 4.18Å; Y345-Y365 HydrophobicContact CD2-CE1 4.28Å; Y345-Y365 HydrophobicContact CE2-CD1 4.25Å; Y345-Y365 AromaticContact CE2-CE1 3.96Å; Y345-Y365 HydrophobicContact CE2-CE1 3.96Å; Y345-L369 HydrophobicContact CD2-CD1 3.61Å; Y345-L369 HydrophobicContact CE2-CD1 4.32Å; Y345-L369 HydrophobicContact CG-CD1 4.36Å; Y345-W553 HydrophobicContact CE2-CB 3.84Å; Y345-W553 HydrophobicContact CE2-CG 4.18Å; Y345-W553 AromaticContact CZ-CD1 3.97Å; Y345-W553 AromaticContact CZ-CG 3.97Å; Y345-W553 PolarHBondContact OH-NE1 2.92Å
346	T	96.9	Very high	96.6	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	17%	0.171	C	C	.	.			trans	-87.4	120.6	170.8	-58.4	0	0	0	0	109.4	I341 G342 L350	I341-T346 HydrophobicContact CB-CG2 4.48Å; I341-T346 HydrophobicContact CD1-CG2 4.08Å; G342-T346 VanDerWaalsContact O-CB 3.28Å; G342-T346 WeakPolarHBondContact O-CB 3.42Å; G342-T346 PolarHBondContact O-N 2.71Å; G342-T346 PolarHBondContact O-OG1 3.32Å; T346-L350 HydrophobicContact CG2-CB 4.5Å
347	N	97.6	Very high	96.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-69.1	154.2	174.3	66.6	62.6	0	0	0	111.6	A92 F175 F177 Y280 A349 L350 Y351	A92-N347 PolarHBondContact O-ND2 3.18Å; F175-N347 VanDerWaalsContact O-CB 3.3Å; F175-N347 WeakPolarHBondContact O-CB 3.42Å; F177-N347 CarbonylContact O-C 3.59Å; F177-N347 WeakPolarHBondContact O-CA 3.11Å; Y280-N347 PolarHBondContact OH-ND2 3.03Å; N347-A349 PolarHBondContact O-N 3.42Å; N347-A349 WeakPolarHBondContact OD1-CA 3.46Å; N347-A349 WeakPolarHBondContact OD1-CB 3.28Å; N347-A349 PolarHBondContact OD1-N 2.88Å; N347-A349 VanDerWaalsContact OD1-N 3.15Å; N347-L350 PolarHBondContact O-N 2.88Å; N347-L350 PolarHBondContact OD1-N 2.84Å; N347-Y351 PolarHBondContact O-N 3.45Å
348	Y	98.2	Very high	96.6	Very high	27 Å²	27	41.9 Å²	41.9	11%	0.106	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-30	-178	-169.9	-100.4	0	0	0	112.2	F172 P174 F177 Y182 L350 Y351 E352	F172-Y348 AromaticContact CE2-CD1 3.94Å; F172-Y348 HydrophobicContact CE2-CD1 3.94Å; F172-Y348 AromaticContact CZ-CD1 3.81Å; F172-Y348 HydrophobicContact CZ-CD1 3.81Å; F172-Y348 HydrophobicContact CZ-CE1 4.01Å; P174-Y348 HydrophobicContact CB-CD1 3.97Å; P174-Y348 PolarHBondContact O-N 3.41Å; F177-Y348 PolarHBondContact O-N 3.41Å; Y182-Y348 AromaticContact CD1-CD2 3.84Å; Y182-Y348 HydrophobicContact CD1-CD2 3.84Å; Y182-Y348 AromaticContact CD1-CE2 3.2Å; Y182-Y348 HydrophobicContact CD1-CE2 3.2Å; Y182-Y348 AromaticContact CD1-CZ 3.61Å; Y182-Y348 HydrophobicContact CD2-CD1 4.03Å; Y182-Y348 HydrophobicContact CD2-CD2 4.1Å; Y182-Y348 AromaticContact CD2-CE1 3.76Å; Y182-Y348 HydrophobicContact CD2-CE1 3.76Å; Y182-Y348 AromaticContact CD2-CE2 3.85Å; Y182-Y348 HydrophobicContact CD2-CE2 3.85Å; Y182-Y348 HydrophobicContact CD2-CG 4.19Å; Y182-Y348 AromaticContact CD2-CZ 3.67Å; Y182-Y348 HydrophobicContact CE1-CE1 4.49Å; Y182-Y348 AromaticContact CE1-CE2 3.58Å; Y182-Y348 HydrophobicContact CE1-CE2 3.58Å; Y182-Y348 AromaticContact CE1-CZ 3.52Å; Y182-Y348 VanDerWaalsContact CE1-OH 3.22Å; Y182-Y348 WeakPolarHBondContact CE1-OH 3.37Å; Y182-Y348 HydrophobicContact CE2-CD1 4.43Å; Y182-Y348 AromaticContact CE2-CE1 3.73Å; Y182-Y348 HydrophobicContact CE2-CE1 3.73Å; Y182-Y348 HydrophobicContact CE2-CE2 4.16Å; Y182-Y348 AromaticContact CE2-CZ 3.58Å; Y182-Y348 HydrophobicContact CG-CD1 4.33Å; Y182-Y348 AromaticContact CG-CD2 3.56Å; Y182-Y348 HydrophobicContact CG-CD2 3.56Å; Y182-Y348 HydrophobicContact CG-CE1 4.16Å; Y182-Y348 AromaticContact CG-CE2 3.35Å; Y182-Y348 HydrophobicContact CG-CE2 3.35Å; Y182-Y348 HydrophobicContact CG-CG 4.05Å; Y182-Y348 AromaticContact CG-CZ 3.68Å; Y182-Y348 AromaticContact CZ-CZ 3.5Å; Y182-Y348 PolarHBondContact OH-OH 3.22Å; Y348-L350 VanDerWaalsContact C-N 3.29Å; Y348-L350 PolarHBondContact O-N 3.18Å; Y348-Y351 AromaticContact CD2-CD1 3.7Å; Y348-Y351 HydrophobicContact CD2-CD1 3.7Å; Y348-Y351 HydrophobicContact CD2-CE1 4.33Å; Y348-Y351 AromaticContact CE2-CD1 3.57Å; Y348-Y351 HydrophobicContact CE2-CD1 3.57Å; Y348-Y351 AromaticContact CE2-CE1 3.84Å; Y348-Y351 HydrophobicContact CE2-CE1 3.84Å; Y348-Y351 PolarHBondContact O-N 3.37Å; Y348-E352 HydrophobicContact CD1-CB 4.27Å; Y348-E352 HydrophobicContact CE1-CB 3.82Å; Y348-E352 WeakPolarHBondContact O-CB 3.35Å; Y348-E352 WeakPolarHBondContact O-CG 3.48Å; Y348-E352 PolarHBondContact O-N 3.43Å
349	A	98.2	Very high	96.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.1	-38.3	179.6	0	0	0	0	0	113	P174 F175 R325 N347	P174-A349 HydrophobicContact CB-CB 3.85Å; P174-A349 HydrophobicContact CG-CB 3.86Å; P174-A349 PolarHBondContact O-N 3.3Å; F175-A349 HydrophobicContact CB-CB 4.36Å; F175-A349 HydrophobicContact CD1-CB 3.59Å; F175-A349 HydrophobicContact CD2-CB 3.83Å; F175-A349 HydrophobicContact CE1-CB 3.78Å; F175-A349 HydrophobicContact CE2-CB 4.01Å; F175-A349 HydrophobicContact CG-CB 3.64Å; F175-A349 HydrophobicContact CZ-CB 4Å; R325-A349 VanDerWaalsContact NH1-C 3.31Å; R325-A349 PolarHBondContact NH1-O 3.22Å; N347-A349 PolarHBondContact O-N 3.42Å; N347-A349 WeakPolarHBondContact OD1-CA 3.46Å; N347-A349 WeakPolarHBondContact OD1-CB 3.28Å; N347-A349 PolarHBondContact OD1-N 2.88Å; N347-A349 VanDerWaalsContact OD1-N 3.15Å
350	L	98.3	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-86.5	-37.9	176.7	-58.6	-175.1	0	0	0	111.5	L253 Y280 V324 R325 L328 T346 N347 Y348 E352 L353	L253-L350 HydrophobicContact CD1-CD1 4.31Å; L253-L350 HydrophobicContact CD2-CB 3.88Å; L253-L350 HydrophobicContact CD2-CD1 4.04Å; L253-L350 HydrophobicContact CG-CD1 4.47Å; Y280-L350 HydrophobicContact CD1-CD1 3.53Å; Y280-L350 HydrophobicContact CE1-CD1 3.61Å; Y280-L350 HydrophobicContact CG-CD1 4.28Å; V324-L350 HydrophobicContact CG1-CD2 4.11Å; V324-L350 HydrophobicContact CG2-CD1 4.1Å; V324-L350 HydrophobicContact CG2-CD2 3.82Å; R325-L350 HydrophobicContact CG-CD2 4Å; L328-L350 HydrophobicContact CD2-CB 3.99Å; L328-L350 HydrophobicContact CD2-CD2 4.12Å; T346-L350 HydrophobicContact CG2-CB 4.5Å; N347-L350 PolarHBondContact O-N 2.88Å; N347-L350 PolarHBondContact OD1-N 2.84Å; Y348-L350 VanDerWaalsContact C-N 3.29Å; Y348-L350 PolarHBondContact O-N 3.18Å; L350-E352 PolarHBondContact O-N 3.44Å; L350-L353 PolarHBondContact O-N 3.01Å
351	Y	98.1	Very high	96.5	Very high	62 Å²	62	42 Å²	42	24%	0.243	21%	0.209	C	C	.	.	H	α-helix	trans	-57.2	-46.8	177.5	170.4	-95.2	0	0	0	112.8	I179 I341 N347 Y348 L353 I354 L360	I179-Y351 HydrophobicContact CD1-CD2 3.39Å; I179-Y351 HydrophobicContact CD1-CE2 3.97Å; I179-Y351 HydrophobicContact CD1-CG 3.8Å; I179-Y351 HydrophobicContact CG1-CD1 4.25Å; I179-Y351 HydrophobicContact CG1-CD2 3.81Å; I179-Y351 HydrophobicContact CG1-CE2 4.38Å; I179-Y351 HydrophobicContact CG1-CG 3.72Å; I179-Y351 HydrophobicContact CG2-CD2 4.45Å; I179-Y351 HydrophobicContact CG2-CE1 4.35Å; I179-Y351 HydrophobicContact CG2-CE2 4.19Å; I341-Y351 HydrophobicContact CD1-CD2 3.77Å; I341-Y351 HydrophobicContact CD1-CE2 4.49Å; N347-Y351 PolarHBondContact O-N 3.45Å; Y348-Y351 AromaticContact CD2-CD1 3.7Å; Y348-Y351 HydrophobicContact CD2-CD1 3.7Å; Y348-Y351 HydrophobicContact CD2-CE1 4.33Å; Y348-Y351 AromaticContact CE2-CD1 3.57Å; Y348-Y351 HydrophobicContact CE2-CD1 3.57Å; Y348-Y351 AromaticContact CE2-CE1 3.84Å; Y348-Y351 HydrophobicContact CE2-CE1 3.84Å; Y348-Y351 PolarHBondContact O-N 3.37Å; Y351-L353 PolarHBondContact O-N 3.35Å; Y351-I354 PolarHBondContact O-N 3.23Å; Y351-L360 HydrophobicContact CD2-CD2 4.29Å; Y351-L360 HydrophobicContact CE2-CD2 3.56Å
352	E	96.9	Very high	96.5	Very high	53 Å²	53	45.4 Å²	45.4	25%	0.248	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.3	-177	72.5	-178	171.8	0	0	113.3	S198 R325 Y348 L350	S198-E352 WeakPolarHBondContact CB-OE2 3.19Å; S198-E352 PolarHBondContact OG-OE1 3.04Å; S198-E352 PolarHBondContact OG-OE2 2.96Å; R325-E352 IonicContact CZ-OE1 3.68Å; R325-E352 VanDerWaalsContact CZ-OE1 3.25Å; R325-E352 IonicContact NH1-OE1 3.49Å; R325-E352 PolarHBondContact NH1-OE1 2.87Å; R325-E352 IonicContact NH2-OE1 3.57Å; R325-E352 PolarHBondContact NH2-OE1 2.81Å; Y348-E352 HydrophobicContact CD1-CB 4.27Å; Y348-E352 HydrophobicContact CE1-CB 3.82Å; Y348-E352 WeakPolarHBondContact O-CB 3.35Å; Y348-E352 WeakPolarHBondContact O-CG 3.48Å; Y348-E352 PolarHBondContact O-N 3.43Å; L350-E352 PolarHBondContact O-N 3.44Å
353	L	97.6	Very high	96.5	Very high	29 Å²	29	47 Å²	47	15%	0.152	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-16.1	178	-58.6	178	0	0	0	113	R325 L328 M332 L350 Y351 T355	R325-L353 HydrophobicContact CB-CD1 3.92Å; R325-L353 HydrophobicContact CG-CD1 4.03Å; L328-L353 HydrophobicContact CD2-CB 4.29Å; L328-L353 HydrophobicContact CD2-CD1 4.33Å; L328-L353 HydrophobicContact CG-CB 4.49Å; M332-L353 WeakPolarHBondContact CG-O 3.3Å; L350-L353 PolarHBondContact O-N 3.01Å; Y351-L353 PolarHBondContact O-N 3.35Å; L353-T355 VanDerWaalsContact C-N 3.33Å; L353-T355 PolarHBondContact O-N 3.02Å
354	I	97.6	Very high	96.4	Very high	9 Å²	9	47.2 Å²	47.2	5%	0.046	25%	0.247	C	C	.	.	S	Bend	trans	-85.8	76.9	-176.5	-51.3	174	0	0	0	109.3	L253 M332 V339 I341 Y351 L360	L253-I354 HydrophobicContact CD2-CD1 4.3Å; M332-I354 HydrophobicContact CE-CB 4.32Å; M332-I354 HydrophobicContact CE-CG2 3.71Å; M332-I354 HydrophobicContact SD-CG1 4.47Å; M332-I354 HydrophobicContact SD-CG2 4.11Å; V339-I354 HydrophobicContact CB-CD1 4.27Å; V339-I354 HydrophobicContact CB-CG2 4.2Å; V339-I354 HydrophobicContact CG1-CD1 3.94Å; I341-I354 HydrophobicContact CG2-CD1 3.7Å; Y351-I354 PolarHBondContact O-N 3.23Å; I354-L360 HydrophobicContact CB-CD1 4.32Å; I354-L360 HydrophobicContact CD1-CD1 4.09Å; I354-L360 HydrophobicContact CG2-CB 3.91Å; I354-L360 HydrophobicContact CG2-CD1 3.9Å; I354-L360 HydrophobicContact CG2-CG 4.49Å
355	T	94.7	Very high	96.7	Very high	90 Å²	90	45.3 Å²	45.3	55%	0.552	24%	0.237	S	C	*	.			trans	-130.5	149	-178.2	-178.9	0	0	0	0	111.4	L353	L353-T355 VanDerWaalsContact C-N 3.33Å; L353-T355 PolarHBondContact O-N 3.02Å
356	P	95.6	Very high	96.9	Very high	60 Å²	60	43.2 Å²	43.2	39%	0.39	23%	0.229	S	C	.	.	S	Bend	cis	-67.3	165.1	-5.8	28.7	-36	0	0	0	113.7	E358 K359	P356-E358 HydrophobicContact CB-CG 4.06Å; P356-E358 HydrophobicContact CG-CG 3.63Å; P356-E358 PolarHBondContact O-N 2.83Å; P356-E358 VanDerWaalsContact O-N 3.07Å; P356-K359 HydrophobicContact CG-CG 4.36Å; P356-K359 WeakPolarHBondContact O-CB 3.39Å; P356-K359 PolarHBondContact O-N 2.9Å
357	E	94.4	Very high	96.9	Very high	171 Å²	171	43.1 Å²	43.1	80%	0.799	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-52.5	-31.2	-175.9	-172.8	179.3	179.9	0	0	113.6	K359 L360	E357-K359 PolarHBondContact O-N 3.23Å; E357-K359 VanDerWaalsContact O-N 3.11Å; E357-L360 WeakPolarHBondContact O-CB 3.28Å; E357-L360 PolarHBondContact O-N 2.02Å
358	E	95.4	Very high	96.9	Very high	150 Å²	150	43.1 Å²	43.1	70%	0.701	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-59.3	-21.1	174.8	57.8	178.4	-150.9	0	0	114.8	P356 L360	P356-E358 HydrophobicContact CB-CG 4.06Å; P356-E358 HydrophobicContact CG-CG 3.63Å; P356-E358 PolarHBondContact O-N 2.83Å; P356-E358 VanDerWaalsContact O-N 3.07Å; E358-L360 VanDerWaalsContact C-N 3.33Å
359	K	97.6	Very high	96.8	Very high	30 Å²	30	41.9 Å²	41.9	13%	0.13	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-86.9	-4.6	176.1	-58.6	-170.5	170.8	-165.8	0	112.7	M332 T334 V337 K338 V339 P356 E357	M332-K359 HydrophobicContact CE-CB 3.57Å; M332-K359 HydrophobicContact CE-CD 3.47Å; M332-K359 VanDerWaalsContact CE-CD 3.47Å; M332-K359 HydrophobicContact CE-CG 4.16Å; M332-K359 PolarHBondContact O-NZ 3.2Å; T334-K359 PolarHBondContact O-NZ 3.48Å; V337-K359 HydrophobicContact CG2-CD 3.65Å; V337-K359 HydrophobicContact CG2-CG 4.44Å; V337-K359 WeakPolarHBondContact O-CG 3.37Å; K338-K359 CarbonylContact C-O 3.58Å; K338-K359 VanDerWaalsContact CA-O 3.28Å; K338-K359 WeakPolarHBondContact CA-O 3.37Å; V339-K359 PolarHBondContact N-O 3.48Å; P356-K359 HydrophobicContact CG-CG 4.36Å; P356-K359 WeakPolarHBondContact O-CB 3.39Å; P356-K359 PolarHBondContact O-N 2.9Å; E357-K359 PolarHBondContact O-N 3.23Å; E357-K359 VanDerWaalsContact O-N 3.11Å
360	L	98	Very high	96.8	Very high	33 Å²	33	44 Å²	44	17%	0.173	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.8	-179.4	178.7	66.3	0	0	0	110.6	I341 Y351 I354 E357 E358 T362	I341-L360 HydrophobicContact CD1-CD1 3.67Å; I341-L360 HydrophobicContact CG1-CD1 3.85Å; I341-L360 HydrophobicContact CG2-CD1 4.5Å; Y351-L360 HydrophobicContact CD2-CD2 4.29Å; Y351-L360 HydrophobicContact CE2-CD2 3.56Å; I354-L360 HydrophobicContact CB-CD1 4.32Å; I354-L360 HydrophobicContact CD1-CD1 4.09Å; I354-L360 HydrophobicContact CG2-CB 3.91Å; I354-L360 HydrophobicContact CG2-CD1 3.9Å; I354-L360 HydrophobicContact CG2-CG 4.49Å; E357-L360 WeakPolarHBondContact O-CB 3.28Å; E357-L360 PolarHBondContact O-N 2.02Å; E358-L360 VanDerWaalsContact C-N 3.33Å; L360-T362 HydrophobicContact CD1-CG2 4.01Å; L360-T362 HydrophobicContact CD2-CG2 3.89Å; L360-T362 HydrophobicContact CG-CG2 3.82Å
361	L	98.3	Very high	96.7	Very high	24 Å²	24	44.7 Å²	44.7	13%	0.126	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131	164.9	176.8	64.7	0	0	0	108.6	Y247 P249 K338 V339 W340 I341	Y247-L361 HydrophobicContact CD2-CD1 3.94Å; Y247-L361 HydrophobicContact CG-CD1 4.13Å; P249-L361 HydrophobicContact CB-CD2 3.83Å; P249-L361 HydrophobicContact CG-CD2 3.75Å; K338-L361 HydrophobicContact CD-CB 4.41Å; K338-L361 HydrophobicContact CG-CB 4.31Å; V339-L361 PolarHBondContact O-N 3.1Å; W340-L361 CarbonylContact C-O 3.48Å; W340-L361 VanDerWaalsContact CA-O 3.28Å; W340-L361 WeakPolarHBondContact CA-O 3.28Å; W340-L361 HydrophobicContact CB-CB 4.28Å; W340-L361 HydrophobicContact CB-CD2 4.1Å; W340-L361 HydrophobicContact CB-CG 4.38Å; W340-L361 HydrophobicContact CD2-CD2 4.13Å; W340-L361 HydrophobicContact CG-CB 4.45Å; W340-L361 HydrophobicContact CG-CD2 3.84Å; W340-L361 HydrophobicContact CG-CG 4.07Å; I341-L361 PolarHBondContact N-O 3.24Å
362	T	97.3	Very high	96.7	Very high	73 Å²	73	41.7 Å²	41.7	45%	0.448	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	144	-177.4	55.5	0	0	0	0	112.1	I341 T343 L360	I341-T362 HydrophobicContact CD1-CG2 4.32Å; I341-T362 HydrophobicContact CG1-CG2 4.02Å; T343-T362 HydrophobicContact CG2-CG2 3.86Å; L360-T362 HydrophobicContact CD1-CG2 4.01Å; L360-T362 HydrophobicContact CD2-CG2 3.89Å; L360-T362 HydrophobicContact CG-CG2 3.82Å
363	S	96.3	Very high	96.7	Very high	36 Å²	36	39.2 Å²	39.2	25%	0.252	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	166.4	157.5	47.6	0	0	0	0	108.6	W340 I341 G342 T343 Y365	W340-S363 PolarHBondContact NE1-OG 2.85Å; I341-S363 PolarHBondContact O-N 3.15Å; I341-S363 VanDerWaalsContact O-N 3.1Å; G342-S363 CarbonylContact C-O 3.52Å; G342-S363 VanDerWaalsContact CA-O 3.3Å; G342-S363 WeakPolarHBondContact CA-O 3.41Å; T343-S363 PolarHBondContact N-O 3.48Å; T343-S363 PolarHBondContact OG1-O 3.37Å; S363-Y365 VanDerWaalsContact C-N 3.29Å; S363-Y365 WeakPolarHBondContact CB-O 3.4Å; S363-Y365 PolarHBondContact O-N 3.3Å; S363-Y365 PolarHBondContact OG-O 2.93Å
364	A	94.4	Very high	96.7	Very high	47 Å²	47	39.4 Å²	39.4	39%	0.388	22%	0.22	S	C	.	.	S	Bend	trans	-56	-47.4	177	0	0	0	0	0	111.4	G342 T343 E344	G342-A364 CarbonylContact C-O 3.58Å; T343-A364 PolarHBondContact N-O 2.76Å; T343-A364 WeakPolarHBondContact OG1-CA 3.3Å; E344-A364 WeakPolarHBondContact CB-O 3.17Å; E344-A364 HydrophobicContact CG-CB 4.45Å; E344-A364 WeakPolarHBondContact CG-O 3.21Å; E344-A364 PolarHBondContact N-O 2.94Å
365	Y	96.6	Very high	96.7	Very high	9 Å²	9	39.2 Å²	39.2	4%	0.035	22%	0.219	C	C	.	.	S	Bend	trans	-124.7	155.2	175.9	-53.8	-78	0	0	0	110.2	E344 Y345 S363 L369 P554 N560 I562	E344-Y365 HydrophobicContact CB-CD1 3.93Å; E344-Y365 HydrophobicContact CB-CE1 3.62Å; E344-Y365 HydrophobicContact CG-CD1 4.02Å; E344-Y365 HydrophobicContact CG-CE1 3.54Å; E344-Y365 HydrophobicContact CG-CE2 4.47Å; Y345-Y365 HydrophobicContact CD2-CD1 4.18Å; Y345-Y365 HydrophobicContact CD2-CE1 4.28Å; Y345-Y365 HydrophobicContact CE2-CD1 4.25Å; Y345-Y365 AromaticContact CE2-CE1 3.96Å; Y345-Y365 HydrophobicContact CE2-CE1 3.96Å; S363-Y365 VanDerWaalsContact C-N 3.29Å; S363-Y365 WeakPolarHBondContact CB-O 3.4Å; S363-Y365 PolarHBondContact O-N 3.3Å; S363-Y365 PolarHBondContact OG-O 2.93Å; Y365-L369 HydrophobicContact CD1-CD1 3.85Å; Y365-L369 HydrophobicContact CG-CD1 4.44Å; Y365-P554 HydrophobicContact CD1-CB 3.81Å; Y365-P554 HydrophobicContact CD1-CG 4.37Å; Y365-P554 HydrophobicContact CD2-CB 3.45Å; Y365-P554 VanDerWaalsContact CD2-CB 3.45Å; Y365-P554 HydrophobicContact CD2-CG 3.85Å; Y365-P554 HydrophobicContact CE1-CB 3.6Å; Y365-P554 HydrophobicContact CE2-CB 3.24Å; Y365-P554 HydrophobicContact CE2-CG 4.14Å; Y365-P554 HydrophobicContact CG-CB 3.73Å; Y365-P554 HydrophobicContact CG-CG 3.97Å; Y365-N560 WeakPolarHBondContact CE2-O 3.44Å; Y365-N560 PolarHBondContact OH-ND2 2.89Å; Y365-N560 PolarHBondContact OH-O 3.39Å; Y365-I562 HydrophobicContact CD2-CG2 3.88Å; Y365-I562 HydrophobicContact CE2-CG2 4.07Å
366	S	97	Very high	96.7	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	20%	0.198	C	C	.	.			trans	-67.1	164.4	177.3	90.2	0	0	0	0	111.6	E259 V368 L369 T370	E259-S366 WeakPolarHBondContact OE1-CB 3.19Å; E259-S366 PolarHBondContact OE1-OG 2.81Å; S366-V368 PolarHBondContact O-N 2.58Å; S366-V368 PolarHBondContact OG-N 2.95Å; S366-L369 PolarHBondContact O-N 3.27Å; S366-L369 PolarHBondContact OG-N 3.42Å; S366-L369 VanDerWaalsContact OG-N 3.1Å; S366-T370 PolarHBondContact O-N 3.48Å; S366-T370 PolarHBondContact O-OG1 3.42Å; S366-T370 VanDerWaalsContact O-OG1 3.06Å
367	P	97.6	Very high	96.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-26.4	169.5	25.2	-35.5	0	0	0	112.9	I238 V252 W340 T370 T371	I238-P367 HydrophobicContact CD1-CB 4.1Å; I238-P367 HydrophobicContact CG2-CB 4.39Å; I238-P367 HydrophobicContact CG2-CG 4.05Å; V252-P367 HydrophobicContact CG1-CG 3.99Å; V252-P367 HydrophobicContact CG2-CG 3.83Å; W340-P367 HydrophobicContact CD2-CG 4.26Å; W340-P367 HydrophobicContact CE3-CB 4.48Å; W340-P367 HydrophobicContact CE3-CG 3.8Å; W340-P367 HydrophobicContact CH2-CB 3.68Å; W340-P367 HydrophobicContact CH2-CG 3.85Å; W340-P367 HydrophobicContact CZ2-CB 4.32Å; W340-P367 HydrophobicContact CZ2-CG 4.28Å; W340-P367 HydrophobicContact CZ3-CB 3.78Å; W340-P367 HydrophobicContact CZ3-CG 3.59Å; P367-T370 WeakPolarHBondContact CA-OG1 3.5Å; P367-T370 PolarHBondContact O-OG1 3.26Å; P367-T371 WeakPolarHBondContact O-CB 3.41Å; P367-T371 PolarHBondContact O-N 2.71Å; P367-T371 VanDerWaalsContact O-N 3.08Å; P367-T371 PolarHBondContact O-OG1 3.48Å
368	V	98	Very high	96.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-74	-49.5	179.5	177.1	0	0	0	0	111	I238 L254 E259 W262 S366 T370 T371 K372	I238-V368 HydrophobicContact CD1-CB 4.49Å; I238-V368 HydrophobicContact CD1-CG2 3.79Å; I238-V368 HydrophobicContact CG1-CG2 3.89Å; I238-V368 HydrophobicContact CG2-CG2 4.26Å; L254-V368 HydrophobicContact CD1-CB 4.36Å; L254-V368 HydrophobicContact CD1-CG1 4.45Å; L254-V368 HydrophobicContact CD1-CG2 3.82Å; L254-V368 HydrophobicContact CD2-CB 3.94Å; L254-V368 HydrophobicContact CD2-CG2 3.69Å; L254-V368 HydrophobicContact CG-CG2 4.42Å; E259-V368 HydrophobicContact CB-CB 4.38Å; E259-V368 HydrophobicContact CB-CG1 3.85Å; E259-V368 HydrophobicContact CG-CB 4.43Å; E259-V368 HydrophobicContact CG-CG1 4.2Å; W262-V368 HydrophobicContact CE3-CG1 3.68Å; W262-V368 HydrophobicContact CZ3-CG1 4.02Å; S366-V368 PolarHBondContact O-N 2.58Å; S366-V368 PolarHBondContact OG-N 2.95Å; V368-T370 VanDerWaalsContact C-N 3.31Å; V368-T370 PolarHBondContact O-N 3.01Å; V368-T371 PolarHBondContact O-N 2.87Å; V368-K372 PolarHBondContact O-N 3.13Å
369	L	96.1	Very high	96.9	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-57.1	-44.8	176.7	-79.3	177.9	0	0	0	111.8	E259 Y345 Y365 S366 K372 A373	E259-L369 HydrophobicContact CG-CD1 4.37Å; E259-L369 HydrophobicContact CG-CD2 3.5Å; E259-L369 HydrophobicContact CG-CG 3.51Å; E259-L369 WeakPolarHBondContact OE1-CG 3.03Å; Y345-L369 HydrophobicContact CD2-CD1 3.61Å; Y345-L369 HydrophobicContact CE2-CD1 4.32Å; Y345-L369 HydrophobicContact CG-CD1 4.36Å; Y365-L369 HydrophobicContact CD1-CD1 3.85Å; Y365-L369 HydrophobicContact CG-CD1 4.44Å; S366-L369 PolarHBondContact O-N 3.27Å; S366-L369 PolarHBondContact OG-N 3.42Å; S366-L369 VanDerWaalsContact OG-N 3.1Å; L369-K372 HydrophobicContact CD2-CD 4.41Å; L369-K372 WeakPolarHBondContact O-CG 3.46Å; L369-A373 PolarHBondContact O-N 3.39Å
370	T	97	Very high	96.9	Very high	43 Å²	43	26.6 Å²	26.6	26%	0.264	15%	0.151	S	C	.	.	H	α-helix	trans	-70.9	-31.4	-179.4	53.7	0	0	0	0	112.7	S366 P367 V368 I562	S366-T370 PolarHBondContact O-N 3.48Å; S366-T370 PolarHBondContact O-OG1 3.42Å; S366-T370 VanDerWaalsContact O-OG1 3.06Å; P367-T370 WeakPolarHBondContact CA-OG1 3.5Å; P367-T370 PolarHBondContact O-OG1 3.26Å; V368-T370 VanDerWaalsContact C-N 3.31Å; V368-T370 PolarHBondContact O-N 3.01Å; T370-I562 HydrophobicContact CG2-CD1 4.49Å
371	T	97.3	Very high	96.9	Very high	15 Å²	15	30.9 Å²	30.9	9%	0.092	17%	0.165	C	C	.	.	H	α-helix	trans	-75	-42.8	177.1	-58.7	0	0	0	0	112.1	Q241 W262 P367 V368 A373 V374	Q241-T371 PolarHBondContact NE2-OG1 3.06Å; W262-T371 HydrophobicContact CH2-CG2 3.67Å; W262-T371 HydrophobicContact CZ2-CG2 4.26Å; P367-T371 WeakPolarHBondContact O-CB 3.41Å; P367-T371 PolarHBondContact O-N 2.71Å; P367-T371 VanDerWaalsContact O-N 3.08Å; P367-T371 PolarHBondContact O-OG1 3.48Å; V368-T371 PolarHBondContact O-N 2.87Å; T371-A373 VanDerWaalsContact C-N 3.26Å; T371-A373 PolarHBondContact O-N 3.42Å; T371-V374 PolarHBondContact O-N 3.11Å
372	K	96.4	Very high	96.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-68.1	-26.5	179.1	77.4	175.8	177.4	82.3	0	113.2	D258 W262 V368 L369 V374 K375 F548 E552 W553	D258-K372 WeakPolarHBondContact OD2-CE 3.49Å; D258-K372 IonicContact OD2-NZ 3.77Å; D258-K372 PolarHBondContact OD2-NZ 2.93Å; W262-K372 HydrophobicContact CB-CB 4.45Å; W262-K372 HydrophobicContact CB-CD 4.18Å; W262-K372 HydrophobicContact CD2-CB 3.53Å; W262-K372 VanDerWaalsContact CE2-CB 3.47Å; W262-K372 HydrophobicContact CE3-CB 4.17Å; W262-K372 HydrophobicContact CG-CB 3.64Å; W262-K372 HydrophobicContact CG-CD 4.25Å; W262-K372 HydrophobicContact CZ2-CB 4.06Å; V368-K372 PolarHBondContact O-N 3.13Å; L369-K372 HydrophobicContact CD2-CD 4.41Å; L369-K372 WeakPolarHBondContact O-CG 3.46Å; K372-V374 PolarHBondContact O-N 3.3Å; K372-K375 WeakPolarHBondContact O-CD 2.91Å; K372-K375 VanDerWaalsContact O-CE 3.3Å; K372-K375 WeakPolarHBondContact O-CE 3.45Å; K372-K375 PolarHBondContact O-NZ 3.07Å; K372-F548 HydrophobicContact CD-CE1 4.23Å; K372-E552 VanDerWaalsContact NZ-CD 3.26Å; K372-E552 IonicContact NZ-OE2 3.91Å; K372-E552 PolarHBondContact NZ-OE2 3.37Å; K372-W553 PolarHBondContact NZ-O 3.46Å
373	A	97.2	Very high	96.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.3	178.1	0	0	0	0	0	112	L369 T371 K375 V555 I562 M568	L369-A373 PolarHBondContact O-N 3.39Å; T371-A373 VanDerWaalsContact C-N 3.26Å; T371-A373 PolarHBondContact O-N 3.42Å; A373-K375 PolarHBondContact O-NZ 2.79Å; A373-V555 HydrophobicContact CB-CG2 3.75Å; A373-I562 HydrophobicContact CB-CD1 4.38Å; A373-M568 HydrophobicContact CB-CE 4.06Å; A373-M568 WeakPolarHBondContact O-CG 3.4Å
374	V	97.6	Very high	96.9	Very high	33 Å²	33	28 Å²	28	20%	0.2	14%	0.139	C	C	.	.	S	Bend	trans	-91.9	113	176.1	-178.8	0	0	0	0	109.9	R229 T371 K372 R565 E566 M568	R229-V374 PolarHBondContact NH2-O 2.81Å; T371-V374 PolarHBondContact O-N 3.11Å; K372-V374 PolarHBondContact O-N 3.3Å; V374-R565 HydrophobicContact CG2-CB 4.21Å; V374-E566 WeakPolarHBondContact CG1-O 3.28Å; V374-M568 HydrophobicContact CG2-CE 3.7Å; V374-M568 HydrophobicContact CG2-CG 4.12Å
375	K	97.5	Very high	97	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.022	14%	0.139	C	C	.	.			trans	-80.8	134	-177.5	-54.6	-45	-178.8	-64.4	0	110.9	K372 A373 E379 Q380 E552 G567 F569	K372-K375 WeakPolarHBondContact O-CD 2.91Å; K372-K375 VanDerWaalsContact O-CE 3.3Å; K372-K375 WeakPolarHBondContact O-CE 3.45Å; K372-K375 PolarHBondContact O-NZ 3.07Å; A373-K375 PolarHBondContact O-NZ 2.79Å; K375-E379 WeakPolarHBondContact CA-OE2 3.44Å; K375-E379 HydrophobicContact CB-CB 3.76Å; K375-E379 HydrophobicContact CD-CB 4.48Å; K375-E379 HydrophobicContact CG-CB 4.44Å; K375-Q380 HydrophobicContact CB-CG 3.77Å; K375-Q380 PolarHBondContact O-NE2 3.06Å; K375-E552 WeakPolarHBondContact CE-OE1 3.31Å; K375-E552 IonicContact NZ-OE1 3.21Å; K375-E552 PolarHBondContact NZ-OE1 2.88Å; K375-G567 VanDerWaalsContact CB-O 3.28Å; K375-G567 WeakPolarHBondContact CB-O 3.48Å; K375-G567 WeakPolarHBondContact CG-O 3.22Å; K375-G567 PolarHBondContact N-O 2.63Å; K375-F569 HydrophobicContact CG-CD2 3.99Å; K375-F569 HydrophobicContact CG-CE2 4.38Å
376	D	95.9	Very high	97.1	Very high	21 Å²	21	28.8 Å²	28.8	11%	0.112	14%	0.137	C	C	.	.			trans	-69.7	168.8	172.1	61.3	47.1	0	0	0	111.7	R229 T378 E379 Q380	R229-D376 IonicContact CZ-OD2 3.38Å; R229-D376 IonicContact NE-OD2 3.85Å; R229-D376 PolarHBondContact NE-OD2 2.8Å; R229-D376 IonicContact NH2-OD2 2.97Å; R229-D376 PolarHBondContact NH2-OD2 3.49Å; D376-T378 PolarHBondContact O-N 3.16Å; D376-T378 PolarHBondContact OD1-N 2.69Å; D376-E379 PolarHBondContact N-OE2 2.98Å; D376-E379 PolarHBondContact O-N 3.29Å; D376-E379 VanDerWaalsContact O-N 3.14Å; D376-E379 WeakPolarHBondContact OD1-CB 3.29Å; D376-E379 VanDerWaalsContact OD1-CG 3.3Å; D376-E379 WeakPolarHBondContact OD1-CG 3.34Å; D376-E379 PolarHBondContact OD1-N 3.49Å; D376-Q380 WeakPolarHBondContact O-CB 3.45Å; D376-Q380 VanDerWaalsContact O-CG 3.25Å; D376-Q380 WeakPolarHBondContact O-CG 3.49Å; D376-Q380 PolarHBondContact O-N 2.94Å
377	E	95.6	Very high	97.2	Very high	150 Å²	150	29 Å²	29	70%	0.701	14%	0.138	S	C	*	.	H	α-helix	trans	-59	-35.6	-174.1	-66.7	-175.5	178.4	0	0	112.2	R381	E377-R381 WeakPolarHBondContact O-CB 3.41Å; E377-R381 PolarHBondContact O-N 2.87Å
378	T	95.8	Very high	97.2	Very high	17 Å²	17	30.1 Å²	30.1	10%	0.104	15%	0.145	C	C	.	.	H	α-helix	trans	-66.7	-51.2	173.8	-67.6	0	0	0	0	111.8	E228 D376 Q380 R381 I382	E228-T378 HydrophobicContact CB-CG2 4.32Å; E228-T378 WeakPolarHBondContact OE2-CB 3.13Å; E228-T378 PolarHBondContact OE2-N 3.02Å; E228-T378 PolarHBondContact OE2-OG1 3.25Å; D376-T378 PolarHBondContact O-N 3.16Å; D376-T378 PolarHBondContact OD1-N 2.69Å; T378-Q380 VanDerWaalsContact C-N 3.27Å; T378-Q380 PolarHBondContact O-N 2.99Å; T378-R381 PolarHBondContact O-N 3.32Å; T378-R381 PolarHBondContact OG1-NH2 2.78Å; T378-I382 HydrophobicContact CG2-CD1 4.48Å; T378-I382 HydrophobicContact CG2-CG2 4.48Å; T378-I382 VanDerWaalsContact O-CG1 3.3Å; T378-I382 WeakPolarHBondContact O-CG1 3.45Å; T378-I382 WeakPolarHBondContact O-CG2 3.03Å; T378-I382 PolarHBondContact O-N 3.21Å
379	E	96.8	Very high	97.2	Very high	16 Å²	16	31.1 Å²	31.1	8%	0.075	15%	0.149	C	C	.	.	H	α-helix	trans	-56.3	-43	177.3	-73.5	170.5	143.8	0	0	111.1	R229 K375 D376 I382 L383 N546	R229-E379 IonicContact CZ-OE2 3.64Å; R229-E379 IonicContact NH2-OE1 3.7Å; R229-E379 IonicContact NH2-OE2 3.24Å; R229-E379 PolarHBondContact NH2-OE2 2.85Å; K375-E379 WeakPolarHBondContact CA-OE2 3.44Å; K375-E379 HydrophobicContact CB-CB 3.76Å; K375-E379 HydrophobicContact CD-CB 4.48Å; K375-E379 HydrophobicContact CG-CB 4.44Å; D376-E379 PolarHBondContact N-OE2 2.98Å; D376-E379 PolarHBondContact O-N 3.29Å; D376-E379 VanDerWaalsContact O-N 3.14Å; D376-E379 WeakPolarHBondContact OD1-CB 3.29Å; D376-E379 VanDerWaalsContact OD1-CG 3.3Å; D376-E379 WeakPolarHBondContact OD1-CG 3.34Å; D376-E379 PolarHBondContact OD1-N 3.49Å; E379-I382 WeakPolarHBondContact O-CG1 3.29Å; E379-L383 WeakPolarHBondContact O-CB 3.34Å; E379-L383 PolarHBondContact O-N 2.93Å; E379-N546 WeakPolarHBondContact CA-ND2 3.34Å; E379-N546 PolarHBondContact O-ND2 2.81Å
380	Q	97.8	Very high	97.3	Very high	33 Å²	33	31.1 Å²	31.1	15%	0.154	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-42.1	177.1	-74	-169.6	52.9	0	0	113.2	K375 D376 T378 R384 F569	K375-Q380 HydrophobicContact CB-CG 3.77Å; K375-Q380 PolarHBondContact O-NE2 3.06Å; D376-Q380 WeakPolarHBondContact O-CB 3.45Å; D376-Q380 VanDerWaalsContact O-CG 3.25Å; D376-Q380 WeakPolarHBondContact O-CG 3.49Å; D376-Q380 PolarHBondContact O-N 2.94Å; T378-Q380 VanDerWaalsContact C-N 3.27Å; T378-Q380 PolarHBondContact O-N 2.99Å; Q380-R384 WeakPolarHBondContact O-CG 3.27Å; Q380-R384 PolarHBondContact O-N 2.94Å; Q380-R384 PolarHBondContact O-NH1 3.44Å; Q380-F569 HydrophobicContact CB-CE2 4.36Å; Q380-F569 HydrophobicContact CG-CE2 4.03Å
381	R	97.6	Very high	97.4	Very high	123 Å²	123	29.2 Å²	29.2	46%	0.464	14%	0.138	S	C	.	.	H	α-helix	trans	-66.9	-51.7	178.5	176.9	-176.9	62.9	-109.3	-2.7	110.9	E377 T378 L383 R384 D385	E377-R381 WeakPolarHBondContact O-CB 3.41Å; E377-R381 PolarHBondContact O-N 2.87Å; T378-R381 PolarHBondContact O-N 3.32Å; T378-R381 PolarHBondContact OG1-NH2 2.78Å; R381-L383 VanDerWaalsContact C-N 3.32Å; R381-L383 PolarHBondContact O-N 2.97Å; R381-R384 WeakPolarHBondContact O-CB 3.4Å; R381-R384 PolarHBondContact O-N 2.81Å; R381-D385 PolarHBondContact O-N 3.18Å
382	I	96.9	Very high	97.5	Very high	12 Å²	12	28.5 Å²	28.5	6%	0.062	13%	0.133	C	C	.	.	H	α-helix	trans	-68.9	-32.9	-174.5	66.4	-177.8	0	0	0	112.4	V226 T378 E379 R384 D385 A386 D475 N546	V226-I382 HydrophobicContact CB-CD1 3.71Å; V226-I382 HydrophobicContact CG1-CD1 4.27Å; T378-I382 HydrophobicContact CG2-CD1 4.48Å; T378-I382 HydrophobicContact CG2-CG2 4.48Å; T378-I382 VanDerWaalsContact O-CG1 3.3Å; T378-I382 WeakPolarHBondContact O-CG1 3.45Å; T378-I382 WeakPolarHBondContact O-CG2 3.03Å; T378-I382 PolarHBondContact O-N 3.21Å; E379-I382 WeakPolarHBondContact O-CG1 3.29Å; I382-R384 PolarHBondContact O-N 3.42Å; I382-D385 WeakPolarHBondContact O-CB 3.37Å; I382-D385 PolarHBondContact O-N 3.4Å; I382-A386 PolarHBondContact O-N 2.87Å; I382-D475 CarbonylContact C-O 3.55Å; I382-D475 HydrophobicContact CB-CB 4Å; I382-D475 HydrophobicContact CD1-CB 4.05Å; I382-D475 HydrophobicContact CG1-CB 4.28Å; I382-D475 VanDerWaalsContact CG1-O 3.29Å; I382-D475 WeakPolarHBondContact CG1-O 3.14Å; I382-N546 WeakPolarHBondContact CD1-ND2 3.2Å; I382-N546 WeakPolarHBondContact CG1-ND2 3.16Å
383	L	97.6	Very high	97.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.2	-37.9	175.1	-169.5	57.4	0	0	0	111.3	E379 R381 A386 H387 T477 F569	E379-L383 WeakPolarHBondContact O-CB 3.34Å; E379-L383 PolarHBondContact O-N 2.93Å; R381-L383 VanDerWaalsContact C-N 3.32Å; R381-L383 PolarHBondContact O-N 2.97Å; L383-A386 PolarHBondContact O-N 2.86Å; L383-H387 PolarHBondContact O-N 2.67Å; L383-H387 VanDerWaalsContact O-N 3.16Å; L383-H387 PolarHBondContact O-ND1 3.06Å; L383-T477 WeakPolarHBondContact CD1-O 3.3Å; L383-F569 HydrophobicContact CB-CE1 4.19Å; L383-F569 HydrophobicContact CB-CZ 4.05Å; L383-F569 HydrophobicContact CD2-CB 4.21Å; L383-F569 HydrophobicContact CD2-CD1 3.43Å; L383-F569 VanDerWaalsContact CD2-CD1 3.43Å; L383-F569 HydrophobicContact CD2-CD2 3.76Å; L383-F569 HydrophobicContact CD2-CE1 3.56Å; L383-F569 HydrophobicContact CD2-CE2 3.86Å; L383-F569 HydrophobicContact CD2-CG 3.54Å; L383-F569 HydrophobicContact CD2-CZ 3.78Å; L383-F569 HydrophobicContact CG-CD1 4.04Å; L383-F569 HydrophobicContact CG-CE1 3.76Å; L383-F569 HydrophobicContact CG-CZ 4.08Å
384	R	98.3	Very high	97.6	Very high	59 Å²	59	28.6 Å²	28.6	22%	0.223	13%	0.134	C	C	.	.	H	α-helix	trans	-61.6	-45.3	169.9	-73.6	179.9	179.9	84.3	-13.5	111.5	Q380 R381 I382 A386 H387 V388 E607 V609	Q380-R384 WeakPolarHBondContact O-CG 3.27Å; Q380-R384 PolarHBondContact O-N 2.94Å; Q380-R384 PolarHBondContact O-NH1 3.44Å; R381-R384 WeakPolarHBondContact O-CB 3.4Å; R381-R384 PolarHBondContact O-N 2.81Å; I382-R384 PolarHBondContact O-N 3.42Å; R384-A386 VanDerWaalsContact C-N 3.27Å; R384-A386 PolarHBondContact O-N 2.92Å; R384-H387 PolarHBondContact O-N 3.37Å; R384-H387 VanDerWaalsContact O-N 3.16Å; R384-V388 PolarHBondContact O-N 3.4Å; R384-E607 IonicContact CZ-OE1 3.37Å; R384-E607 IonicContact CZ-OE2 3.53Å; R384-E607 IonicContact NE-OE1 3.39Å; R384-E607 PolarHBondContact NE-OE1 3.36Å; R384-E607 IonicContact NE-OE2 2.67Å; R384-E607 IonicContact NH2-OE1 2.69Å; R384-E607 PolarHBondContact NH2-OE1 3.42Å; R384-E607 IonicContact NH2-OE2 2.71Å; R384-E607 PolarHBondContact NH2-OE2 3.25Å; R384-V609 HydrophobicContact CG-CB 4.5Å; R384-V609 HydrophobicContact CG-CG1 3.83Å
385	D	97.3	Very high	97.7	Very high	73 Å²	73	27 Å²	27	39%	0.39	12%	0.124	S	C	.	.	H	α-helix	trans	-61.8	-35.3	178.4	-65.1	-22	0	0	0	112.1	R381 I382 V388 R389	R381-D385 PolarHBondContact O-N 3.18Å; I382-D385 WeakPolarHBondContact O-CB 3.37Å; I382-D385 PolarHBondContact O-N 3.4Å; D385-V388 PolarHBondContact O-N 3.47Å; D385-R389 VanDerWaalsContact C-NH1 3.33Å; D385-R389 VanDerWaalsContact O-CZ 3.32Å; D385-R389 PolarHBondContact O-N 3.31Å; D385-R389 VanDerWaalsContact O-N 3.16Å; D385-R389 PolarHBondContact O-NH1 2.89Å
386	A	98.1	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.1	-42.4	174.6	0	0	0	0	0	112	I382 L383 R384 V388 R389 D390 Y473 T478	I382-A386 PolarHBondContact O-N 2.87Å; L383-A386 PolarHBondContact O-N 2.86Å; R384-A386 VanDerWaalsContact C-N 3.27Å; R384-A386 PolarHBondContact O-N 2.92Å; A386-V388 VanDerWaalsContact C-N 3.33Å; A386-V388 PolarHBondContact O-N 3.13Å; A386-R389 VanDerWaalsContact CA-NH2 3.26Å; A386-R389 PolarHBondContact O-N 3.44Å; A386-D390 WeakPolarHBondContact O-CB 3.19Å; A386-D390 PolarHBondContact O-N 3.36Å; A386-Y473 HydrophobicContact CB-CD2 4.2Å; A386-Y473 HydrophobicContact CB-CG 4.38Å; A386-T478 HydrophobicContact CB-CG2 4.49Å
387	H	98.6	Very high	97.9	Very high	6 Å²	6	27 Å²	27	3%	0.028	12%	0.124	C	C	.	.	H	α-helix	trans	-64.9	-35.5	175.8	-74	75.6	0	0	0	112.6	L383 R384 D390 A391 T477 V589 V609	L383-H387 PolarHBondContact O-N 2.67Å; L383-H387 VanDerWaalsContact O-N 3.16Å; L383-H387 PolarHBondContact O-ND1 3.06Å; R384-H387 PolarHBondContact O-N 3.37Å; R384-H387 VanDerWaalsContact O-N 3.16Å; H387-D390 PolarHBondContact O-N 3.46Å; H387-A391 VanDerWaalsContact O-CB 3.31Å; H387-A391 WeakPolarHBondContact O-CB 3.07Å; H387-A391 PolarHBondContact O-N 2.87Å; H387-T477 PolarHBondContact CE1-O 2.8Å; H387-T477 VanDerWaalsContact CE1-O 3.3Å; H387-V589 WeakPolarHBondContact NE2-CB 3.41Å; H387-V609 HydrophobicContact CB-CB 4.47Å; H387-V609 HydrophobicContact CB-CG2 4.47Å; H387-V609 VanDerWaalsContact CB-O 3.32Å; H387-V609 WeakPolarHBondContact CB-O 2.97Å
388	V	98.4	Very high	98	Very high	24 Å²	24	20.2 Å²	20.2	15%	0.145	9%	0.092	C	C	.	.	H	α-helix	trans	-61	-45.8	172.4	170.3	0	0	0	0	110.9	R384 D385 A386 L611 M643 E646	R384-V388 PolarHBondContact O-N 3.4Å; D385-V388 PolarHBondContact O-N 3.47Å; A386-V388 VanDerWaalsContact C-N 3.33Å; A386-V388 PolarHBondContact O-N 3.13Å; V388-L611 HydrophobicContact CG2-CD1 3.65Å; V388-M643 HydrophobicContact CG1-SD 4.16Å; V388-M643 WeakPolarHBondContact O-CE 3.32Å; V388-E646 HydrophobicContact CG1-CB 3.7Å; V388-E646 HydrophobicContact CG1-CG 3.68Å
389	R	97.4	Very high	98.2	Very high	21 Å²	21	20 Å²	20	8%	0.079	9%	0.09	C	C	.	.	H	α-helix	trans	-66.2	-41.4	177	-72	-175.8	-64.5	-80.5	3.5	112.4	D385 A386 A391 V392 Q426 K427 D475	D385-R389 VanDerWaalsContact C-NH1 3.33Å; D385-R389 VanDerWaalsContact O-CZ 3.32Å; D385-R389 PolarHBondContact O-N 3.31Å; D385-R389 VanDerWaalsContact O-N 3.16Å; D385-R389 PolarHBondContact O-NH1 2.89Å; A386-R389 VanDerWaalsContact CA-NH2 3.26Å; A386-R389 PolarHBondContact O-N 3.44Å; R389-A391 VanDerWaalsContact C-N 3.33Å; R389-A391 PolarHBondContact O-N 3.41Å; R389-V392 WeakPolarHBondContact O-CB 3.33Å; R389-V392 PolarHBondContact O-N 3.47Å; R389-Q426 HydrophobicContact CB-CB 4.44Å; R389-K427 PolarHBondContact NE-O 2.98Å; R389-D475 IonicContact CZ-OD1 3.26Å; R389-D475 IonicContact CZ-OD2 2.96Å; R389-D475 IonicContact NH1-OD2 2.64Å; R389-D475 IonicContact NH2-OD1 3.52Å; R389-D475 PolarHBondContact NH2-OD1 2.81Å; R389-D475 IonicContact NH2-OD2 2.63Å; R389-D475 PolarHBondContact NH2-OD2 3.42Å
390	D	98.6	Very high	98.2	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-66.2	-37.6	-179.4	-158.4	65.2	0	0	0	112.2	A386 H387 V392 A393 V394 R423 Y473 T478	A386-D390 WeakPolarHBondContact O-CB 3.19Å; A386-D390 PolarHBondContact O-N 3.36Å; H387-D390 PolarHBondContact O-N 3.46Å; D390-V392 PolarHBondContact O-N 3.25Å; D390-A393 WeakPolarHBondContact O-CB 3.43Å; D390-A393 PolarHBondContact O-N 3.39Å; D390-V394 PolarHBondContact O-N 3.45Å; D390-V394 VanDerWaalsContact O-N 3.13Å; D390-R423 WeakPolarHBondContact OD1-CD 3.29Å; D390-R423 WeakPolarHBondContact OD1-CG 3.13Å; D390-R423 IonicContact OD1-CZ 3.37Å; D390-R423 IonicContact OD1-NE 3.81Å; D390-R423 PolarHBondContact OD1-NE 3.49Å; D390-R423 IonicContact OD1-NH2 2.67Å; D390-R423 IonicContact OD2-CZ 3.39Å; D390-R423 IonicContact OD2-NE 3.99Å; D390-R423 PolarHBondContact OD2-NE 3.22Å; D390-R423 IonicContact OD2-NH2 3.93Å; D390-R423 PolarHBondContact OD2-NH2 2.99Å; D390-Y473 HydrophobicContact CB-CE2 4.05Å; D390-Y473 WeakPolarHBondContact OD1-CE2 3.39Å; D390-Y473 PolarHBondContact OD1-OH 3.24Å; D390-T478 HydrophobicContact CB-CG2 3.66Å; D390-T478 PolarHBondContact OD1-OG1 2.8Å; D390-T478 PolarHBondContact OD2-OG1 3.21Å
391	A	98.7	Very high	98.3	Very high	3 Å²	3	19.9 Å²	19.9	3%	0.025	9%	0.087	C	C	.	.	H	α-helix	trans	-58.7	-30.5	174.8	0	0	0	0	0	112.5	H387 R389 V394 I395 L611 V612 M643	H387-A391 VanDerWaalsContact O-CB 3.31Å; H387-A391 WeakPolarHBondContact O-CB 3.07Å; H387-A391 PolarHBondContact O-N 2.87Å; R389-A391 VanDerWaalsContact C-N 3.33Å; R389-A391 PolarHBondContact O-N 3.41Å; A391-V394 PolarHBondContact O-N 2.92Å; A391-I395 WeakPolarHBondContact O-CB 3.36Å; A391-I395 WeakPolarHBondContact O-CD1 3.44Å; A391-I395 VanDerWaalsContact O-CG1 3.25Å; A391-I395 WeakPolarHBondContact O-CG1 3.5Å; A391-I395 PolarHBondContact O-N 3.38Å; A391-L611 HydrophobicContact CB-CB 4.17Å; A391-V612 HydrophobicContact CB-CG2 3.86Å; A391-M643 HydrophobicContact CB-CE 3.64Å; A391-M643 HydrophobicContact CB-SD 3.61Å
392	V	98.8	Very high	98.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.5	-47.5	172.1	-179.9	0	0	0	0	110.7	R389 D390 V394 I395 Q396 M643 E646 L647 L652	R389-V392 WeakPolarHBondContact O-CB 3.33Å; R389-V392 PolarHBondContact O-N 3.47Å; D390-V392 PolarHBondContact O-N 3.25Å; V392-V394 PolarHBondContact O-N 3.2Å; V392-I395 PolarHBondContact O-N 2.71Å; V392-Q396 WeakPolarHBondContact O-CG 3.43Å; V392-Q396 PolarHBondContact O-N 3.25Å; V392-M643 HydrophobicContact CG2-CE 3.64Å; V392-E646 HydrophobicContact CG2-CG 3.81Å; V392-L647 HydrophobicContact CG1-CD2 4.1Å; V392-L647 HydrophobicContact CG2-CD2 4.14Å; V392-L652 HydrophobicContact CG1-CD1 3.47Å; V392-L652 VanDerWaalsContact CG1-CD1 3.47Å
393	A	98.7	Very high	98.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.7	-39.8	-178.5	0	0	0	0	0	112.2	D390 Q396 L397 C422 R423	D390-A393 WeakPolarHBondContact O-CB 3.43Å; D390-A393 PolarHBondContact O-N 3.39Å; A393-Q396 PolarHBondContact O-N 2.62Å; A393-L397 PolarHBondContact O-N 3.18Å; A393-C422 HydrophobicContact CB-CB 3.72Å; A393-R423 HydrophobicContact CB-CB 4.36Å; A393-R423 HydrophobicContact CB-CG 3.57Å
394	V	98.8	Very high	98.2	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	10%	0.1	C	C	.	.	H	α-helix	trans	-69.4	-41.4	176.6	-177.1	0	0	0	0	111.3	D390 A391 V392 Q396 L397 L398 I480 V612	D390-V394 PolarHBondContact O-N 3.45Å; D390-V394 VanDerWaalsContact O-N 3.13Å; A391-V394 PolarHBondContact O-N 2.92Å; V392-V394 PolarHBondContact O-N 3.2Å; V394-Q396 VanDerWaalsContact C-N 3.3Å; V394-Q396 PolarHBondContact O-N 3.08Å; V394-L397 WeakPolarHBondContact O-CB 3.31Å; V394-L397 PolarHBondContact O-N 2.89Å; V394-L398 HydrophobicContact CG1-CD1 4.24Å; V394-L398 HydrophobicContact CG1-CG 4.34Å; V394-L398 WeakPolarHBondContact O-CG 3.21Å; V394-L398 PolarHBondContact O-N 2.91Å; V394-I480 HydrophobicContact CG2-CG2 3.9Å; V394-V612 HydrophobicContact CB-CG2 3.94Å; V394-V612 HydrophobicContact CG1-CB 4.5Å; V394-V612 HydrophobicContact CG1-CG1 3.9Å; V394-V612 HydrophobicContact CG1-CG2 3.98Å
395	I	98.8	Very high	98.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.9	-42.4	174.2	-76.3	164	0	0	0	110.9	A391 V392 L397 L398 M399 M643 E655 W658 M659	A391-I395 WeakPolarHBondContact O-CB 3.36Å; A391-I395 WeakPolarHBondContact O-CD1 3.44Å; A391-I395 VanDerWaalsContact O-CG1 3.25Å; A391-I395 WeakPolarHBondContact O-CG1 3.5Å; A391-I395 PolarHBondContact O-N 3.38Å; V392-I395 PolarHBondContact O-N 2.71Å; I395-L397 PolarHBondContact O-N 3.45Å; I395-L398 PolarHBondContact O-N 2.9Å; I395-M399 VanDerWaalsContact O-CB 3.26Å; I395-M399 WeakPolarHBondContact O-CB 3.13Å; I395-M399 PolarHBondContact O-N 2.98Å; I395-M643 HydrophobicContact CD1-CE 4.04Å; I395-M643 HydrophobicContact CD1-CG 4.44Å; I395-E655 HydrophobicContact CG2-CB 4.03Å; I395-E655 HydrophobicContact CG2-CG 4.36Å; I395-W658 HydrophobicContact CB-CZ3 4.45Å; I395-W658 HydrophobicContact CG1-CZ3 4.11Å; I395-W658 HydrophobicContact CG2-CE3 3.74Å; I395-W658 HydrophobicContact CG2-CZ3 4.04Å; I395-M659 HydrophobicContact CD1-CG 4.45Å
396	Q	98.8	Very high	98.1	Very high	25 Å²	25	19.4 Å²	19.4	12%	0.117	10%	0.098	C	C	.	.	H	α-helix	trans	-61	-42.6	175.7	-76.3	-179.5	-30	0	0	112.3	V392 A393 V394 W400 C422 E655	V392-Q396 WeakPolarHBondContact O-CG 3.43Å; V392-Q396 PolarHBondContact O-N 3.25Å; A393-Q396 PolarHBondContact O-N 2.62Å; V394-Q396 VanDerWaalsContact C-N 3.3Å; V394-Q396 PolarHBondContact O-N 3.08Å; Q396-W400 WeakPolarHBondContact O-CB 3.2Å; Q396-W400 PolarHBondContact O-N 3.16Å; Q396-C422 PolarHBondContact OE1-SG 2.92Å; Q396-C422 VanDerWaalsContact OE1-SG 3.4Å; Q396-E655 HydrophobicContact CG-CG 3.79Å; Q396-E655 PolarHBondContact NE2-OE1 3.21Å; Q396-E655 VanDerWaalsContact NE2-OE1 3.13Å
397	L	98.8	Very high	98	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59	-55.2	173.7	174.2	74.7	0	0	0	111.1	A393 V394 I395 M399 W400 L401 A415 Y418 V419 V467	A393-L397 PolarHBondContact O-N 3.18Å; V394-L397 WeakPolarHBondContact O-CB 3.31Å; V394-L397 PolarHBondContact O-N 2.89Å; I395-L397 PolarHBondContact O-N 3.45Å; L397-M399 VanDerWaalsContact C-N 3.33Å; L397-M399 PolarHBondContact O-N 2.95Å; L397-W400 HydrophobicContact CD1-CE3 4.15Å; L397-W400 HydrophobicContact CD1-CZ3 4.28Å; L397-W400 PolarHBondContact O-N 3.06Å; L397-L401 HydrophobicContact CD1-CD1 3.78Å; L397-L401 HydrophobicContact CD1-CG 4.01Å; L397-L401 HydrophobicContact CD2-CD1 4.4Å; L397-L401 HydrophobicContact CG-CD1 3.87Å; L397-L401 HydrophobicContact CG-CG 4.34Å; L397-L401 WeakPolarHBondContact O-CB 3.14Å; L397-L401 WeakPolarHBondContact O-CG 3.22Å; L397-L401 PolarHBondContact O-N 2.99Å; L397-A415 HydrophobicContact CD1-CB 4.33Å; L397-A415 WeakPolarHBondContact CD1-O 3.45Å; L397-Y418 HydrophobicContact CB-CD1 4.35Å; L397-Y418 HydrophobicContact CD1-CD1 3.81Å; L397-Y418 HydrophobicContact CD1-CG 4.49Å; L397-V419 HydrophobicContact CB-CB 4.17Å; L397-V419 HydrophobicContact CB-CG2 4.03Å; L397-V419 HydrophobicContact CD1-CB 4.1Å; L397-V419 HydrophobicContact CD2-CB 3.85Å; L397-V419 HydrophobicContact CD2-CG2 3.93Å; L397-V419 HydrophobicContact CG-CB 4.23Å; L397-V419 HydrophobicContact CG-CG2 4.45Å; L397-V467 HydrophobicContact CD2-CB 4.32Å; L397-V467 HydrophobicContact CD2-CG1 3.99Å; L397-V467 HydrophobicContact CD2-CG2 3.89Å
398	L	98.6	Very high	97.7	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-62.5	-41.4	-174.5	-65.4	-178.6	0	0	0	111.6	V394 I395 E402 V467 V484 V612 W658	V394-L398 HydrophobicContact CG1-CD1 4.24Å; V394-L398 HydrophobicContact CG1-CG 4.34Å; V394-L398 WeakPolarHBondContact O-CG 3.21Å; V394-L398 PolarHBondContact O-N 2.91Å; I395-L398 PolarHBondContact O-N 2.9Å; L398-E402 WeakPolarHBondContact O-CB 2.94Å; L398-E402 PolarHBondContact O-N 3.37Å; L398-V467 HydrophobicContact CD2-CG1 4.48Å; L398-V484 HydrophobicContact CD2-CG1 3.98Å; L398-V612 HydrophobicContact CD1-CG1 3.72Å; L398-W658 HydrophobicContact CB-CH2 3.72Å; L398-W658 HydrophobicContact CB-CZ2 3.76Å; L398-W658 HydrophobicContact CD1-CH2 4.03Å
399	M	98.3	Very high	97.4	Very high	12 Å²	12	32 Å²	32	6%	0.059	16%	0.163	C	C	.	.	H	α-helix	trans	-63.7	-43.8	174.7	-179.4	-175.2	71.7	0	0	112.1	I395 L397 K403 E654 E655 W658	I395-M399 VanDerWaalsContact O-CB 3.26Å; I395-M399 WeakPolarHBondContact O-CB 3.13Å; I395-M399 PolarHBondContact O-N 2.98Å; L397-M399 VanDerWaalsContact C-N 3.33Å; L397-M399 PolarHBondContact O-N 2.95Å; M399-K403 WeakPolarHBondContact O-CG 3.21Å; M399-K403 PolarHBondContact O-N 3.49Å; M399-E654 HydrophobicContact CE-CG 4.46Å; M399-E654 HydrophobicContact SD-CB 4.31Å; M399-E654 HydrophobicContact SD-CG 3.82Å; M399-E655 HydrophobicContact CE-CG 3.71Å; M399-E655 HydrophobicContact SD-CG 4.14Å; M399-W658 HydrophobicContact CB-CB 4.48Å; M399-W658 HydrophobicContact CB-CD2 4.04Å; M399-W658 HydrophobicContact CB-CG 3.86Å; M399-W658 HydrophobicContact CG-CB 4.14Å; M399-W658 HydrophobicContact CG-CG 3.84Å; M399-W658 HydrophobicContact SD-CB 3.99Å; M399-W658 HydrophobicContact SD-CG 4.34Å
400	W	98.4	Very high	97.4	Very high	46 Å²	46	32.6 Å²	32.6	17%	0.174	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-50.3	178.7	170.3	69.9	0	0	0	110.8	Q396 L397 E402 K403 V404 E410 Y418	Q396-W400 WeakPolarHBondContact O-CB 3.2Å; Q396-W400 PolarHBondContact O-N 3.16Å; L397-W400 HydrophobicContact CD1-CE3 4.15Å; L397-W400 HydrophobicContact CD1-CZ3 4.28Å; L397-W400 PolarHBondContact O-N 3.06Å; W400-E402 VanDerWaalsContact C-N 3.34Å; W400-E402 PolarHBondContact O-N 3.37Å; W400-K403 WeakPolarHBondContact O-CB 3.37Å; W400-K403 PolarHBondContact O-N 3.21Å; W400-V404 HydrophobicContact CD2-CG2 3.94Å; W400-V404 HydrophobicContact CE3-CG2 4.45Å; W400-V404 HydrophobicContact CG-CG2 4.34Å; W400-V404 HydrophobicContact CH2-CG2 4.39Å; W400-V404 HydrophobicContact CZ2-CG2 3.86Å; W400-V404 WeakPolarHBondContact O-CG2 3.32Å; W400-V404 PolarHBondContact O-N 3.21Å; W400-E410 VanDerWaalsContact CH2-CD 3.5Å; W400-E410 HydrophobicContact CH2-CG 3.86Å; W400-E410 VanDerWaalsContact CH2-OE2 3.29Å; W400-E410 WeakPolarHBondContact CH2-OE2 3.49Å; W400-E410 VanDerWaalsContact CZ2-CD 3.43Å; W400-E410 HydrophobicContact CZ2-CG 3.95Å; W400-Y418 HydrophobicContact CB-CE1 3.71Å; W400-Y418 AromaticContact CD2-CD1 3.94Å; W400-Y418 HydrophobicContact CD2-CD1 3.94Å; W400-Y418 AromaticContact CD2-CD2 3.87Å; W400-Y418 HydrophobicContact CD2-CD2 3.87Å; W400-Y418 AromaticContact CD2-CE1 3.85Å; W400-Y418 HydrophobicContact CD2-CE1 3.85Å; W400-Y418 AromaticContact CD2-CE2 3.78Å; W400-Y418 HydrophobicContact CD2-CE2 3.78Å; W400-Y418 AromaticContact CD2-CG 3.95Å; W400-Y418 HydrophobicContact CD2-CG 3.95Å; W400-Y418 AromaticContact CD2-CZ 3.77Å; W400-Y418 AromaticContact CE2-CD2 3.96Å; W400-Y418 AromaticContact CE2-CE2 3.94Å; W400-Y418 AromaticContact CE3-CD1 3.44Å; W400-Y418 HydrophobicContact CE3-CD1 3.44Å; W400-Y418 VanDerWaalsContact CE3-CD1 3.44Å; W400-Y418 AromaticContact CE3-CD2 3.88Å; W400-Y418 HydrophobicContact CE3-CD2 3.88Å; W400-Y418 AromaticContact CE3-CE1 3.78Å; W400-Y418 HydrophobicContact CE3-CE1 3.78Å; W400-Y418 HydrophobicContact CE3-CE2 4.2Å; W400-Y418 AromaticContact CE3-CG 3.48Å; W400-Y418 HydrophobicContact CE3-CG 3.48Å; W400-Y418 VanDerWaalsContact CE3-CG 3.48Å; W400-Y418 HydrophobicContact CG-CD1 4.42Å; W400-Y418 AromaticContact CG-CE1 3.85Å; W400-Y418 HydrophobicContact CG-CE1 3.85Å; W400-Y418 AromaticContact CG-CE2 3.96Å; W400-Y418 HydrophobicContact CG-CE2 3.96Å; W400-Y418 AromaticContact CG-CZ 3.58Å; W400-Y418 HydrophobicContact CH2-CD2 4.1Å; W400-Y418 HydrophobicContact CH2-CG 4.06Å; W400-Y418 HydrophobicContact CZ2-CD2 4.09Å; W400-Y418 HydrophobicContact CZ2-CE2 4.49Å; W400-Y418 HydrophobicContact CZ2-CG 4.48Å; W400-Y418 AromaticContact CZ3-CD1 3.93Å; W400-Y418 HydrophobicContact CZ3-CD1 3.93Å; W400-Y418 AromaticContact CZ3-CD2 3.99Å; W400-Y418 HydrophobicContact CZ3-CD2 3.99Å; W400-Y418 AromaticContact CZ3-CG 3.54Å; W400-Y418 HydrophobicContact CZ3-CG 3.54Å
401	L	98.4	Very high	97.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.6	-40	178.9	-70.2	178.3	0	0	0	112.7	L397 K403 V404 V405 A415 L459 Y465 W486	L397-L401 HydrophobicContact CD1-CD1 3.78Å; L397-L401 HydrophobicContact CD1-CG 4.01Å; L397-L401 HydrophobicContact CD2-CD1 4.4Å; L397-L401 HydrophobicContact CG-CD1 3.87Å; L397-L401 HydrophobicContact CG-CG 4.34Å; L397-L401 WeakPolarHBondContact O-CB 3.14Å; L397-L401 WeakPolarHBondContact O-CG 3.22Å; L397-L401 PolarHBondContact O-N 2.99Å; L401-K403 PolarHBondContact O-N 2.83Å; L401-K403 VanDerWaalsContact O-N 3.15Å; L401-V404 HydrophobicContact CD2-CG2 4.48Å; L401-V404 PolarHBondContact O-N 3.35Å; L401-V405 HydrophobicContact CB-CG2 4.09Å; L401-V405 HydrophobicContact CD2-CG2 4Å; L401-V405 WeakPolarHBondContact O-CB 3.45Å; L401-V405 VanDerWaalsContact O-CG2 3.24Å; L401-V405 WeakPolarHBondContact O-CG2 3.48Å; L401-V405 PolarHBondContact O-N 3.09Å; L401-A415 HydrophobicContact CD1-CB 4.18Å; L401-A415 HydrophobicContact CD2-CB 4.05Å; L401-L459 HydrophobicContact CD2-CD1 3.76Å; L401-Y465 HydrophobicContact CD1-CD1 4.21Å; L401-Y465 HydrophobicContact CD1-CE1 3.58Å; L401-W486 HydrophobicContact CB-CH2 4.32Å; L401-W486 HydrophobicContact CB-CZ2 3.55Å; L401-W486 HydrophobicContact CD1-CH2 4.18Å; L401-W486 HydrophobicContact CD1-CZ2 3.95Å; L401-W486 HydrophobicContact CG-CZ2 4.35Å
402	E	97.1	Very high	97.4	Very high	56 Å²	56	33.7 Å²	33.7	26%	0.262	17%	0.173	S	C	.	.	H	α-helix	trans	-56.2	-31.8	175	-173.4	-178.8	168.2	0	0	112.3	L398 W400 W658 K661 H662	L398-E402 WeakPolarHBondContact O-CB 2.94Å; L398-E402 PolarHBondContact O-N 3.37Å; W400-E402 VanDerWaalsContact C-N 3.34Å; W400-E402 PolarHBondContact O-N 3.37Å; E402-W658 PolarHBondContact OE2-NE1 3.44Å; E402-K661 IonicContact OE1-NZ 2.83Å; E402-K661 PolarHBondContact OE1-NZ 3.36Å; E402-H662 IonicContact OE2-CE1 3.47Å; E402-H662 PolarHBondContact OE2-CE1 3.06Å; E402-H662 IonicContact OE2-NE2 2.74Å
403	K	96.3	Very high	97.3	Very high	93 Å²	93	36 Å²	36	40%	0.404	19%	0.185	S	C	.	.	H	α-helix	trans	-82.9	-44.3	178.3	-63.5	168	-180	174.2	0	112.8	M399 W400 L401 E654	M399-K403 WeakPolarHBondContact O-CG 3.21Å; M399-K403 PolarHBondContact O-N 3.49Å; W400-K403 WeakPolarHBondContact O-CB 3.37Å; W400-K403 PolarHBondContact O-N 3.21Å; L401-K403 PolarHBondContact O-N 2.83Å; L401-K403 VanDerWaalsContact O-N 3.15Å; K403-E654 WeakPolarHBondContact CE-OE1 3.5Å; K403-E654 IonicContact NZ-OE1 3.27Å; K403-E654 PolarHBondContact NZ-OE1 3.07Å; K403-E654 IonicContact NZ-OE2 3.08Å; K403-E654 PolarHBondContact NZ-OE2 3.49Å
404	V	97.2	Very high	97.3	Very high	20 Å²	20	38.3 Å²	38.3	12%	0.121	20%	0.199	C	C	.	.	H	α-helix	trans	-96	-24	-166.1	-58.3	0	0	0	0	114.9	W400 L401 P406 E407 E410	W400-V404 HydrophobicContact CD2-CG2 3.94Å; W400-V404 HydrophobicContact CE3-CG2 4.45Å; W400-V404 HydrophobicContact CG-CG2 4.34Å; W400-V404 HydrophobicContact CH2-CG2 4.39Å; W400-V404 HydrophobicContact CZ2-CG2 3.86Å; W400-V404 WeakPolarHBondContact O-CG2 3.32Å; W400-V404 PolarHBondContact O-N 3.21Å; L401-V404 HydrophobicContact CD2-CG2 4.48Å; L401-V404 PolarHBondContact O-N 3.35Å; V404-P406 VanDerWaalsContact C-N 3.35Å; V404-E407 VanDerWaalsContact O-CB 3.31Å; V404-E407 WeakPolarHBondContact O-CB 3.3Å; V404-E407 PolarHBondContact O-N 2.99Å; V404-E410 HydrophobicContact CB-CG 4.15Å; V404-E410 HydrophobicContact CG2-CG 3.39Å
405	V	97.4	Very high	97.3	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-58.9	-40.2	177.9	171.1	0	0	0	0	112.3	L401 E407 G408 L459 V461 W486	L401-V405 HydrophobicContact CB-CG2 4.09Å; L401-V405 HydrophobicContact CD2-CG2 4Å; L401-V405 WeakPolarHBondContact O-CB 3.45Å; L401-V405 VanDerWaalsContact O-CG2 3.24Å; L401-V405 WeakPolarHBondContact O-CG2 3.48Å; L401-V405 PolarHBondContact O-N 3.09Å; V405-E407 PolarHBondContact O-N 2.85Å; V405-E407 VanDerWaalsContact O-N 3.1Å; V405-G408 PolarHBondContact O-N 2.82Å; V405-L459 HydrophobicContact CG1-CB 4.13Å; V405-L459 HydrophobicContact CG2-CB 3.92Å; V405-L459 HydrophobicContact CG2-CD1 4.07Å; V405-V461 HydrophobicContact CG1-CG1 4.21Å; V405-W486 HydrophobicContact CB-CD2 4.31Å; V405-W486 HydrophobicContact CB-CE3 4.28Å; V405-W486 HydrophobicContact CG1-CD2 4.21Å; V405-W486 HydrophobicContact CG1-CE3 3.76Å; V405-W486 HydrophobicContact CG1-CZ3 4.09Å; V405-W486 HydrophobicContact CG2-CD2 4.36Å; V405-W486 HydrophobicContact CG2-CE3 4.23Å; V405-W486 HydrophobicContact CG2-CH2 3.96Å; V405-W486 HydrophobicContact CG2-CZ2 4.14Å; V405-W486 HydrophobicContact CG2-CZ3 4.01Å
406	P	95.9	Very high	97.2	Very high	86 Å²	86	38.5 Å²	38.5	56%	0.558	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-58.2	-21.3	173	-26.7	36.2	0	0	0	115	V404 G408 V461	V404-P406 VanDerWaalsContact C-N 3.35Å; P406-G408 VanDerWaalsContact C-N 3.32Å; P406-V461 HydrophobicContact CB-CG1 4.42Å; P406-V461 HydrophobicContact CG-CG1 4.06Å
407	E	95.6	Very high	97.2	Very high	115 Å²	115	42.8 Å²	42.8	54%	0.537	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-79	-14.1	175.9	-56.7	-174.1	-161	0	0	113.4	V404 V405 K409	V404-E407 VanDerWaalsContact O-CB 3.31Å; V404-E407 WeakPolarHBondContact O-CB 3.3Å; V404-E407 PolarHBondContact O-N 2.99Å; V405-E407 PolarHBondContact O-N 2.85Å; V405-E407 VanDerWaalsContact O-N 3.1Å; E407-K409 PolarHBondContact O-N 2.83Å; E407-K409 IonicContact OE2-NZ 3.71Å; E407-K409 PolarHBondContact OE2-NZ 2.78Å
408	G	92.4	Very high	97.2	Very high	37 Å²	37	45.6 Å²	45.6	38%	0.381	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	21.1	172.6	0	0	0	0	0	116	V405 P406	V405-G408 PolarHBondContact O-N 2.82Å; P406-G408 VanDerWaalsContact C-N 3.32Å
409	K	93.3	Very high	97.2	Very high	141 Å²	141	45.2 Å²	45.2	61%	0.613	23%	0.229	S	C	*	.			trans	-98.3	-30.5	-179.2	-65.1	175.8	-168.3	144.2	0	114.1	E407	E407-K409 PolarHBondContact O-N 2.83Å; E407-K409 IonicContact OE2-NZ 3.71Å; E407-K409 PolarHBondContact OE2-NZ 2.78Å
410	E	97	Very high	97.2	Very high	34 Å²	34	46.5 Å²	46.5	16%	0.159	24%	0.237	C	C	.	.			trans	-78.6	155.5	-172.3	-60.2	-48.3	139.1	0	0	113.4	W400 V404 T414 K458 L459	W400-E410 VanDerWaalsContact CH2-CD 3.5Å; W400-E410 HydrophobicContact CH2-CG 3.86Å; W400-E410 VanDerWaalsContact CH2-OE2 3.29Å; W400-E410 WeakPolarHBondContact CH2-OE2 3.49Å; W400-E410 VanDerWaalsContact CZ2-CD 3.43Å; W400-E410 HydrophobicContact CZ2-CG 3.95Å; V404-E410 HydrophobicContact CB-CG 4.15Å; V404-E410 HydrophobicContact CG2-CG 3.39Å; E410-T414 WeakPolarHBondContact OE2-CB 3.01Å; E410-T414 PolarHBondContact OE2-OG1 3.1Å; E410-K458 WeakPolarHBondContact O-CA 3.33Å; E410-L459 HydrophobicContact CB-CD1 4.23Å; E410-L459 PolarHBondContact O-N 2.86Å
411	T	98.1	Very high	97.2	Very high	29 Å²	29	49 Å²	49	18%	0.178	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-131.7	166.4	-178.5	61.5	0	0	0	0	109.4	M413 T414 A415 R457 K458	T411-M413 PolarHBondContact O-N 3.48Å; T411-T414 PolarHBondContact N-OG1 3.03Å; T411-T414 PolarHBondContact O-N 2.68Å; T411-T414 PolarHBondContact O-OG1 2.92Å; T411-T414 WeakPolarHBondContact OG1-CG2 3.31Å; T411-T414 PolarHBondContact OG1-N 3.23Å; T411-T414 VanDerWaalsContact OG1-N 3.16Å; T411-T414 PolarHBondContact OG1-OG1 3.41Å; T411-A415 PolarHBondContact O-N 3.06Å; T411-R457 CarbonylContact C-O 3.55Å; T411-R457 WeakPolarHBondContact CA-O 3.43Å; T411-R457 WeakPolarHBondContact CB-O 3.27Å; T411-K458 HydrophobicContact CG2-CG 4.29Å
412	E	98.3	Very high	97.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-52.6	-42.5	171.3	-69.9	168.4	160.8	0	0	112	A415 A416 S438 A439 S440 N443 Y449 P451 S456 R457 L459	E412-A415 PolarHBondContact O-N 2.78Å; E412-A416 PolarHBondContact O-N 2.75Å; E412-S438 VanDerWaalsContact C-OG 3.31Å; E412-S438 VanDerWaalsContact CA-OG 3.3Å; E412-S438 WeakPolarHBondContact CA-OG 3.28Å; E412-S438 VanDerWaalsContact CB-O 3.25Å; E412-S438 WeakPolarHBondContact CB-O 3.22Å; E412-S438 WeakPolarHBondContact CG-O 3.33Å; E412-S438 VanDerWaalsContact O-CB 3.26Å; E412-S438 WeakPolarHBondContact O-CB 3.28Å; E412-S438 PolarHBondContact O-OG 3.1Å; E412-A439 WeakPolarHBondContact OE1-CA 3.31Å; E412-S440 PolarHBondContact OE1-N 3.32Å; E412-N443 VanDerWaalsContact CD-ND2 3.34Å; E412-N443 WeakPolarHBondContact OE1-CB 3.39Å; E412-N443 PolarHBondContact OE1-ND2 3.28Å; E412-N443 PolarHBondContact OE2-ND2 2.9Å; E412-Y449 WeakPolarHBondContact OE2-CE1 3.48Å; E412-Y449 PolarHBondContact OE2-OH 3.05Å; E412-P451 HydrophobicContact CB-CB 3.76Å; E412-P451 HydrophobicContact CB-CG 4.22Å; E412-S456 WeakPolarHBondContact OE2-CA 3.49Å; E412-R457 HydrophobicContact CG-CB 4.4Å; E412-R457 PolarHBondContact N-O 3.47Å; E412-R457 PolarHBondContact OE2-N 3.46Å; E412-L459 HydrophobicContact CG-CD2 3.97Å
413	M	97.4	Very high	97.2	Very high	49 Å²	49	46.5 Å²	46.5	24%	0.241	24%	0.239	C	C	.	.	H	α-helix	trans	-69.9	-38.2	-178.5	-169.7	175	66	0	0	112.2	T411 A415 A416 H417 P451 N453 S456	T411-M413 PolarHBondContact O-N 3.48Å; M413-A415 VanDerWaalsContact C-N 3.35Å; M413-A416 PolarHBondContact O-N 3.21Å; M413-H417 VanDerWaalsContact O-CG 3.25Å; M413-H417 PolarHBondContact O-N 3.01Å; M413-H417 PolarHBondContact O-ND1 3.21Å; M413-P451 HydrophobicContact CB-CB 4.41Å; M413-N453 WeakPolarHBondContact CE-OD1 3.24Å; M413-S456 PolarHBondContact N-OG 3.44Å; M413-S456 VanDerWaalsContact N-OG 3.14Å
414	T	97.9	Very high	97.3	Very high	48 Å²	48	45.8 Å²	45.8	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-67.7	-36.8	176.7	57.9	0	0	0	0	111.7	E410 T411 H417 Y418	E410-T414 WeakPolarHBondContact OE2-CB 3.01Å; E410-T414 PolarHBondContact OE2-OG1 3.1Å; T411-T414 PolarHBondContact N-OG1 3.03Å; T411-T414 PolarHBondContact O-N 2.68Å; T411-T414 PolarHBondContact O-OG1 2.92Å; T411-T414 WeakPolarHBondContact OG1-CG2 3.31Å; T411-T414 PolarHBondContact OG1-N 3.23Å; T411-T414 VanDerWaalsContact OG1-N 3.16Å; T411-T414 PolarHBondContact OG1-OG1 3.41Å; T414-H417 PolarHBondContact O-N 3.5Å; T414-Y418 WeakPolarHBondContact O-CB 3.28Å; T414-Y418 PolarHBondContact O-N 2.87Å
415	A	98.3	Very high	97.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.3	-43.1	174.3	0	0	0	0	0	113.1	L397 L401 T411 E412 M413 H417 Y418 V419 L459 Y465	L397-A415 HydrophobicContact CD1-CB 4.33Å; L397-A415 WeakPolarHBondContact CD1-O 3.45Å; L401-A415 HydrophobicContact CD1-CB 4.18Å; L401-A415 HydrophobicContact CD2-CB 4.05Å; T411-A415 PolarHBondContact O-N 3.06Å; E412-A415 PolarHBondContact O-N 2.78Å; M413-A415 VanDerWaalsContact C-N 3.35Å; A415-H417 PolarHBondContact O-N 2.8Å; A415-Y418 PolarHBondContact O-N 2.66Å; A415-V419 PolarHBondContact O-N 2.99Å; A415-V419 VanDerWaalsContact O-N 3.13Å; A415-L459 HydrophobicContact CB-CD1 4.03Å; A415-Y465 HydrophobicContact CB-CE2 4.45Å; A415-Y465 VanDerWaalsContact CB-OH 3.27Å; A415-Y465 WeakPolarHBondContact CB-OH 3.32Å
416	A	98.2	Very high	97.4	Very high	7 Å²	7	51.3 Å²	51.3	6%	0.058	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-44	174.4	0	0	0	0	0	112	E412 M413 V419 N420 T436 P451	E412-A416 PolarHBondContact O-N 2.75Å; M413-A416 PolarHBondContact O-N 3.21Å; A416-V419 WeakPolarHBondContact O-CG1 3.43Å; A416-N420 PolarHBondContact O-N 3.48Å; A416-N420 PolarHBondContact O-ND2 2.59Å; A416-N420 VanDerWaalsContact O-ND2 3.11Å; A416-T436 HydrophobicContact CB-CG2 3.77Å; A416-P451 HydrophobicContact CB-CG 4.33Å
417	H	98.1	Very high	97.4	Very high	115 Å²	115	53.5 Å²	53.5	53%	0.532	27%	0.269	S	S	.	.	H	α-helix	trans	-65	-42	175.8	-67.5	162.8	0	0	0	112.3	M413 T414 A415 V419 N420 E421	M413-H417 VanDerWaalsContact O-CG 3.25Å; M413-H417 PolarHBondContact O-N 3.01Å; M413-H417 PolarHBondContact O-ND1 3.21Å; T414-H417 PolarHBondContact O-N 3.5Å; A415-H417 PolarHBondContact O-N 2.8Å; H417-V419 PolarHBondContact O-N 3.42Å; H417-N420 PolarHBondContact O-N 3.12Å; H417-E421 PolarHBondContact O-N 2.69Å
418	Y	98.6	Very high	97.5	Very high	58 Å²	58	49.3 Å²	49.3	23%	0.227	25%	0.25	C	C	.	.	H	α-helix	trans	-62.1	-45	-177.5	-172.9	-90.9	0	0	0	112.3	L397 W400 T414 A415 N420 E421 C422	L397-Y418 HydrophobicContact CB-CD1 4.35Å; L397-Y418 HydrophobicContact CD1-CD1 3.81Å; L397-Y418 HydrophobicContact CD1-CG 4.49Å; W400-Y418 HydrophobicContact CB-CE1 3.71Å; W400-Y418 AromaticContact CD2-CD1 3.94Å; W400-Y418 HydrophobicContact CD2-CD1 3.94Å; W400-Y418 AromaticContact CD2-CD2 3.87Å; W400-Y418 HydrophobicContact CD2-CD2 3.87Å; W400-Y418 AromaticContact CD2-CE1 3.85Å; W400-Y418 HydrophobicContact CD2-CE1 3.85Å; W400-Y418 AromaticContact CD2-CE2 3.78Å; W400-Y418 HydrophobicContact CD2-CE2 3.78Å; W400-Y418 AromaticContact CD2-CG 3.95Å; W400-Y418 HydrophobicContact CD2-CG 3.95Å; W400-Y418 AromaticContact CD2-CZ 3.77Å; W400-Y418 AromaticContact CE2-CD2 3.96Å; W400-Y418 AromaticContact CE2-CE2 3.94Å; W400-Y418 AromaticContact CE3-CD1 3.44Å; W400-Y418 HydrophobicContact CE3-CD1 3.44Å; W400-Y418 VanDerWaalsContact CE3-CD1 3.44Å; W400-Y418 AromaticContact CE3-CD2 3.88Å; W400-Y418 HydrophobicContact CE3-CD2 3.88Å; W400-Y418 AromaticContact CE3-CE1 3.78Å; W400-Y418 HydrophobicContact CE3-CE1 3.78Å; W400-Y418 HydrophobicContact CE3-CE2 4.2Å; W400-Y418 AromaticContact CE3-CG 3.48Å; W400-Y418 HydrophobicContact CE3-CG 3.48Å; W400-Y418 VanDerWaalsContact CE3-CG 3.48Å; W400-Y418 HydrophobicContact CG-CD1 4.42Å; W400-Y418 AromaticContact CG-CE1 3.85Å; W400-Y418 HydrophobicContact CG-CE1 3.85Å; W400-Y418 AromaticContact CG-CE2 3.96Å; W400-Y418 HydrophobicContact CG-CE2 3.96Å; W400-Y418 AromaticContact CG-CZ 3.58Å; W400-Y418 HydrophobicContact CH2-CD2 4.1Å; W400-Y418 HydrophobicContact CH2-CG 4.06Å; W400-Y418 HydrophobicContact CZ2-CD2 4.09Å; W400-Y418 HydrophobicContact CZ2-CE2 4.49Å; W400-Y418 HydrophobicContact CZ2-CG 4.48Å; W400-Y418 AromaticContact CZ3-CD1 3.93Å; W400-Y418 HydrophobicContact CZ3-CD1 3.93Å; W400-Y418 AromaticContact CZ3-CD2 3.99Å; W400-Y418 HydrophobicContact CZ3-CD2 3.99Å; W400-Y418 AromaticContact CZ3-CG 3.54Å; W400-Y418 HydrophobicContact CZ3-CG 3.54Å; T414-Y418 WeakPolarHBondContact O-CB 3.28Å; T414-Y418 PolarHBondContact O-N 2.87Å; A415-Y418 PolarHBondContact O-N 2.66Å; Y418-N420 VanDerWaalsContact C-N 3.32Å; Y418-N420 PolarHBondContact O-N 2.95Å; Y418-E421 WeakPolarHBondContact O-CB 3.34Å; Y418-E421 PolarHBondContact O-N 2.61Å; Y418-C422 VanDerWaalsContact CE1-SG 3.53Å; Y418-C422 PolarHBondContact O-N 3.4Å
419	V	98.6	Very high	97.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.3	-37.7	179	74.3	0	0	0	0	112	L397 A415 A416 H417 E421 C422 R423 T436	L397-V419 HydrophobicContact CB-CB 4.17Å; L397-V419 HydrophobicContact CB-CG2 4.03Å; L397-V419 HydrophobicContact CD1-CB 4.1Å; L397-V419 HydrophobicContact CD2-CB 3.85Å; L397-V419 HydrophobicContact CD2-CG2 3.93Å; L397-V419 HydrophobicContact CG-CB 4.23Å; L397-V419 HydrophobicContact CG-CG2 4.45Å; A415-V419 PolarHBondContact O-N 2.99Å; A415-V419 VanDerWaalsContact O-N 3.13Å; A416-V419 WeakPolarHBondContact O-CG1 3.43Å; H417-V419 PolarHBondContact O-N 3.42Å; V419-E421 VanDerWaalsContact C-N 3.35Å; V419-C422 WeakPolarHBondContact O-CB 3.16Å; V419-C422 PolarHBondContact O-N 3.3Å; V419-R423 VanDerWaalsContact CG2-NH1 3.26Å; V419-R423 WeakPolarHBondContact O-CG 3.21Å; V419-R423 PolarHBondContact O-N 3.14Å; V419-T436 HydrophobicContact CG1-CG2 4.05Å
420	N	98.1	Very high	97.9	Very high	40 Å²	40	47.9 Å²	47.9	21%	0.214	23%	0.231	C	C	.	.	H	α-helix	trans	-67.2	-36.9	175.8	-71.3	-28.3	0	0	0	111.8	A416 H417 Y418 R423 S424 T436	A416-N420 PolarHBondContact O-N 3.48Å; A416-N420 PolarHBondContact O-ND2 2.59Å; A416-N420 VanDerWaalsContact O-ND2 3.11Å; H417-N420 PolarHBondContact O-N 3.12Å; Y418-N420 VanDerWaalsContact C-N 3.32Å; Y418-N420 PolarHBondContact O-N 2.95Å; N420-R423 PolarHBondContact O-N 3.46Å; N420-S424 WeakPolarHBondContact O-CB 3.27Å; N420-S424 PolarHBondContact O-N 2.98Å; N420-T436 PolarHBondContact ND2-OG1 2.91Å; N420-T436 VanDerWaalsContact ND2-OG1 3.07Å; N420-T436 PolarHBondContact OD1-OG1 2.98Å
421	E	98.5	Very high	97.8	Very high	99 Å²	99	47.5 Å²	47.5	46%	0.463	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-46	171.9	-165.6	-162.6	137.9	0	0	111.2	H417 Y418 V419 R423 S424 K425	H417-E421 PolarHBondContact O-N 2.69Å; Y418-E421 WeakPolarHBondContact O-CB 3.34Å; Y418-E421 PolarHBondContact O-N 2.61Å; V419-E421 VanDerWaalsContact C-N 3.35Å; E421-R423 VanDerWaalsContact C-N 3.34Å; E421-R423 PolarHBondContact O-N 3.29Å; E421-S424 PolarHBondContact O-N 3.11Å; E421-S424 PolarHBondContact O-OG 2.91Å; E421-K425 PolarHBondContact O-N 2.74Å; E421-K425 VanDerWaalsContact OE1-CE 3.32Å; E421-K425 WeakPolarHBondContact OE1-CE 3.22Å; E421-K425 IonicContact OE1-NZ 2.69Å; E421-K425 PolarHBondContact OE1-NZ 2.93Å
422	C	98.6	Very high	97.8	Very high	2 Å²	2	48 Å²	48	1%	0.014	24%	0.24	C	C	.	.	H	α-helix	trans	-58.2	-44.2	174.8	-77.7	0	0	0	0	112.2	A393 Q396 Y418 V419 S424 K425	A393-C422 HydrophobicContact CB-CB 3.72Å; Q396-C422 PolarHBondContact OE1-SG 2.92Å; Q396-C422 VanDerWaalsContact OE1-SG 3.4Å; Y418-C422 VanDerWaalsContact CE1-SG 3.53Å; Y418-C422 PolarHBondContact O-N 3.4Å; V419-C422 WeakPolarHBondContact O-CB 3.16Å; V419-C422 PolarHBondContact O-N 3.3Å; C422-S424 PolarHBondContact O-N 3.44Å; C422-K425 PolarHBondContact O-N 3.22Å
423	R	98.3	Very high	97.8	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-39.6	175.3	-75.7	-176.9	171.4	106	2.3	112.8	D390 A393 V419 N420 E421 K425 Q426 S429 S469	D390-R423 WeakPolarHBondContact OD1-CD 3.29Å; D390-R423 WeakPolarHBondContact OD1-CG 3.13Å; D390-R423 IonicContact OD1-CZ 3.37Å; D390-R423 IonicContact OD1-NE 3.81Å; D390-R423 PolarHBondContact OD1-NE 3.49Å; D390-R423 IonicContact OD1-NH2 2.67Å; D390-R423 IonicContact OD2-CZ 3.39Å; D390-R423 IonicContact OD2-NE 3.99Å; D390-R423 PolarHBondContact OD2-NE 3.22Å; D390-R423 IonicContact OD2-NH2 3.93Å; D390-R423 PolarHBondContact OD2-NH2 2.99Å; A393-R423 HydrophobicContact CB-CB 4.36Å; A393-R423 HydrophobicContact CB-CG 3.57Å; V419-R423 VanDerWaalsContact CG2-NH1 3.26Å; V419-R423 WeakPolarHBondContact O-CG 3.21Å; V419-R423 PolarHBondContact O-N 3.14Å; N420-R423 PolarHBondContact O-N 3.46Å; E421-R423 VanDerWaalsContact C-N 3.34Å; E421-R423 PolarHBondContact O-N 3.29Å; R423-K425 PolarHBondContact O-N 3.31Å; R423-K425 VanDerWaalsContact O-N 3.14Å; R423-Q426 WeakPolarHBondContact O-CB 3.34Å; R423-Q426 PolarHBondContact O-N 3.43Å; R423-S429 VanDerWaalsContact O-CB 3.24Å; R423-S429 WeakPolarHBondContact O-CB 3.27Å; R423-S429 PolarHBondContact O-OG 2.66Å; R423-S429 VanDerWaalsContact O-OG 3.11Å; R423-S469 PolarHBondContact NH1-OG 2.87Å; R423-S469 PolarHBondContact NH2-O 3.31Å; R423-S469 PolarHBondContact NH2-OG 3.34Å
424	S	98.2	Very high	97.7	Very high	77 Å²	77	46 Å²	46	54%	0.538	23%	0.231	S	C	.	.	H	α-helix	trans	-61.3	-23.4	179.7	78.1	0	0	0	0	113.4	N420 E421 C422	N420-S424 WeakPolarHBondContact O-CB 3.27Å; N420-S424 PolarHBondContact O-N 2.98Å; E421-S424 PolarHBondContact O-N 3.11Å; E421-S424 PolarHBondContact O-OG 2.91Å; C422-S424 PolarHBondContact O-N 3.44Å
425	K	97.9	Very high	97.6	Very high	127 Å²	127	48.6 Å²	48.6	55%	0.552	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-16.6	177.3	-63.5	166.2	-173.2	165.3	0	112.9	E421 C422 R423	E421-K425 PolarHBondContact O-N 2.74Å; E421-K425 VanDerWaalsContact OE1-CE 3.32Å; E421-K425 WeakPolarHBondContact OE1-CE 3.22Å; E421-K425 IonicContact OE1-NZ 2.69Å; E421-K425 PolarHBondContact OE1-NZ 2.93Å; C422-K425 PolarHBondContact O-N 3.22Å; R423-K425 PolarHBondContact O-N 3.31Å; R423-K425 VanDerWaalsContact O-N 3.14Å
426	Q	98.1	Very high	97.5	Very high	12 Å²	12	48.9 Å²	48.9	6%	0.056	24%	0.241	C	C	.	.	S	Bend	trans	-74.5	145.9	179.9	-62.6	-54.2	-47.4	0	0	110.9	R389 R423 D428 S429 Y473	R389-Q426 HydrophobicContact CB-CB 4.44Å; R423-Q426 WeakPolarHBondContact O-CB 3.34Å; R423-Q426 PolarHBondContact O-N 3.43Å; Q426-D428 PolarHBondContact O-N 3.23Å; Q426-S429 WeakPolarHBondContact O-CB 3.28Å; Q426-S429 PolarHBondContact O-N 3.36Å; Q426-Y473 HydrophobicContact CB-CE1 3.8Å
427	K	96.8	Very high	97.5	Very high	133 Å²	133	49 Å²	49	58%	0.578	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	139.6	179	-176.2	-172.2	171.5	-168.1	0	110.2	R389 S429 Y473	R389-K427 PolarHBondContact NE-O 2.98Å; K427-S429 PolarHBondContact O-N 2.71Å; K427-Y473 WeakPolarHBondContact O-CD1 3.23Å
428	D	96.3	Very high	97.5	Very high	26 Å²	26	43.6 Å²	43.6	14%	0.139	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	6	176.6	-66.2	-34.3	0	0	0	115.9	R225 Q426 Y473 L474	R225-D428 IonicContact CZ-OD1 3.3Å; R225-D428 IonicContact CZ-OD2 2.92Å; R225-D428 VanDerWaalsContact CZ-OD2 3.29Å; R225-D428 IonicContact NH1-OD2 2.78Å; R225-D428 PolarHBondContact NH1-OD2 3.28Å; R225-D428 IonicContact NH2-OD1 2.8Å; R225-D428 PolarHBondContact NH2-OD1 3.04Å; R225-D428 IonicContact NH2-OD2 3.74Å; R225-D428 PolarHBondContact NH2-OD2 2.87Å; Q426-D428 PolarHBondContact O-N 3.23Å; D428-Y473 CarbonylContact O-C 3.48Å; D428-Y473 VanDerWaalsContact O-CA 3.27Å; D428-Y473 WeakPolarHBondContact O-CA 3.13Å; D428-L474 HydrophobicContact CB-CB 4.07Å; D428-L474 HydrophobicContact CB-CG 4.47Å; D428-L474 PolarHBondContact O-N 2.69Å
429	S	97.5	Very high	97.4	Very high	17 Å²	17	40.8 Å²	40.8	12%	0.119	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	141.5	177.8	-172.9	0	0	0	0	112.9	R423 Q426 K427 Q472	R423-S429 VanDerWaalsContact O-CB 3.24Å; R423-S429 WeakPolarHBondContact O-CB 3.27Å; R423-S429 PolarHBondContact O-OG 2.66Å; R423-S429 VanDerWaalsContact O-OG 3.11Å; Q426-S429 WeakPolarHBondContact O-CB 3.28Å; Q426-S429 PolarHBondContact O-N 3.36Å; K427-S429 PolarHBondContact O-N 2.71Å; S429-Q472 CarbonylContact C-O 3.58Å
430	R	96.6	Very high	97.3	Very high	131 Å²	131	40.8 Å²	40.8	49%	0.494	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	15.2	179.5	-67	-66.7	178	-99.4	10	112.5	Q472 L474 Y547	R430-Q472 HydrophobicContact CB-CB 3.98Å; R430-Q472 PolarHBondContact N-O 2.61Å; R430-L474 HydrophobicContact CG-CD2 4.26Å; R430-L474 HydrophobicContact CG-CG 4.38Å; R430-Y547 HydrophobicContact CB-CE2 3.87Å; R430-Y547 HydrophobicContact CG-CE2 3.89Å
431	G	96.2	Very high	97.2	Very high	27 Å²	27	39 Å²	39	28%	0.278	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	100.9	-172.9	-178.4	0	0	0	0	0	112.6	Q472	G431-Q472 PolarHBondContact O-N 3.34Å
432	P	97.4	Very high	97	Very high	38 Å²	38	36.1 Å²	36.1	25%	0.247	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	153.3	-179.8	30.7	-34.7	0	0	0	112.3	Y273 F434 G470	Y273-P432 HydrophobicContact CD1-CB 4.49Å; Y273-P432 HydrophobicContact CD1-CG 3.96Å; Y273-P432 HydrophobicContact CE1-CG 3.87Å; P432-F434 WeakPolarHBondContact CB-O 3.48Å; P432-G470 VanDerWaalsContact CA-O 3.29Å; P432-G470 WeakPolarHBondContact CA-O 3.46Å
433	S	97.7	Very high	96.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-87.8	-10.4	176.9	56.9	0	0	0	0	114.2	Y273 G470 G471 T478	Y273-S433 VanDerWaalsContact CB-C 3.5Å; Y273-S433 VanDerWaalsContact CB-O 3.25Å; Y273-S433 WeakPolarHBondContact CB-O 3.28Å; S433-G470 PolarHBondContact N-O 3.1Å; S433-G470 WeakPolarHBondContact OG-CA 3.4Å; S433-G470 PolarHBondContact OG-O 3.35Å; S433-G471 PolarHBondContact OG-N 2.79Å; S433-T478 PolarHBondContact OG-O 3.14Å
434	F	96.1	Very high	96.6	Very high	9 Å²	9	37.3 Å²	37.3	4%	0.039	19%	0.192	C	C	.	.	S	Bend	trans	-165.4	173.2	169	54.2	-82.9	0	0	0	109.1	Y97 P432 T436 D468 S469 D479 V550	Y97-F434 WeakPolarHBondContact OH-CB 3.17Å; P432-F434 WeakPolarHBondContact CB-O 3.48Å; F434-T436 PolarHBondContact O-N 2.71Å; F434-D468 WeakPolarHBondContact CZ-OD1 3.36Å; F434-S469 VanDerWaalsContact CZ-C 3.47Å; F434-S469 VanDerWaalsContact CZ-CA 3.44Å; F434-D479 HydrophobicContact CE1-CB 4.49Å; F434-D479 WeakPolarHBondContact CE1-OD1 3.3Å; F434-D479 WeakPolarHBondContact CZ-OD1 3.32Å; F434-V550 HydrophobicContact CB-CG1 4.47Å; F434-V550 HydrophobicContact CD1-CB 4.32Å; F434-V550 HydrophobicContact CD1-CG1 3.99Å; F434-V550 HydrophobicContact CD1-CG2 3.97Å; F434-V550 HydrophobicContact CE1-CG2 4.07Å
435	E	94.9	Very high	96.2	Very high	101 Å²	101	34.4 Å²	34.4	47%	0.472	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-66.5	123.5	175.8	-168	172.5	-145.7	0	0	110.7	Y273 I437 S450	Y273-E435 HydrophobicContact CE2-CB 4.24Å; Y273-E435 WeakPolarHBondContact OH-CB 3.47Å; E435-I437 PolarHBondContact O-N 2.89Å; E435-S450 VanDerWaalsContact CD-CB 3.44Å; E435-S450 VanDerWaalsContact CD-OG 3.23Å; E435-S450 WeakPolarHBondContact CG-OG 3.36Å; E435-S450 WeakPolarHBondContact OE2-CB 3.07Å; E435-S450 PolarHBondContact OE2-OG 3.11Å
436	T	97.1	Very high	95.6	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.037	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-62.1	121.2	-177.2	-61.4	0	0	0	0	112	A416 V419 N420 F434 V467	A416-T436 HydrophobicContact CB-CG2 3.77Å; V419-T436 HydrophobicContact CG1-CG2 4.05Å; N420-T436 PolarHBondContact ND2-OG1 2.91Å; N420-T436 VanDerWaalsContact ND2-OG1 3.07Å; N420-T436 PolarHBondContact OD1-OG1 2.98Å; F434-T436 PolarHBondContact O-N 2.71Å; T436-V467 HydrophobicContact CG2-CG2 4.35Å
437	I	97.1	Very high	94.6	Very high	11 Å²	11	33.4 Å²	33.4	6%	0.056	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.9	169.1	-60.8	176.1	0	0	0	107	E435 A447 Y449 L466 V467 D468	E435-I437 PolarHBondContact O-N 2.89Å; I437-A447 WeakPolarHBondContact CD1-O 3.24Å; I437-Y449 WeakPolarHBondContact CA-O 3.46Å; I437-Y449 WeakPolarHBondContact CB-O 3.43Å; I437-Y449 WeakPolarHBondContact CG1-O 3.48Å; I437-Y449 VanDerWaalsContact CG2-O 3.28Å; I437-Y449 WeakPolarHBondContact CG2-O 3.43Å; I437-L466 HydrophobicContact CG2-CD2 3.76Å; I437-V467 CarbonylContact O-C 3.41Å; I437-V467 VanDerWaalsContact O-CA 3.31Å; I437-V467 WeakPolarHBondContact O-CA 3.49Å; I437-D468 HydrophobicContact CB-CB 3.95Å; I437-D468 HydrophobicContact CD1-CB 4.35Å; I437-D468 HydrophobicContact CG2-CB 4.35Å; I437-D468 PolarHBondContact N-O 2.94Å; I437-D468 PolarHBondContact O-N 3.38Å
438	S	98.2	Very high	93.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	110	177	167.4	0	0	0	0	106.9	E412 Y449 Y465	E412-S438 VanDerWaalsContact C-OG 3.31Å; E412-S438 VanDerWaalsContact CA-OG 3.3Å; E412-S438 WeakPolarHBondContact CA-OG 3.28Å; E412-S438 VanDerWaalsContact CB-O 3.25Å; E412-S438 WeakPolarHBondContact CB-O 3.22Å; E412-S438 WeakPolarHBondContact CG-O 3.33Å; E412-S438 VanDerWaalsContact O-CB 3.26Å; E412-S438 WeakPolarHBondContact O-CB 3.28Å; E412-S438 PolarHBondContact O-OG 3.1Å; S438-Y449 VanDerWaalsContact O-CE1 3.3Å; S438-Y449 WeakPolarHBondContact O-CE1 3.12Å; S438-Y465 WeakPolarHBondContact OG-CE2 3.27Å; S438-Y465 PolarHBondContact OG-OH 3.27Å
439	A	97.3	Very high	93.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	127.5	-162	0	0	0	0	0	111.9	E412 N443 A444 Y449 Y465 L466	E412-A439 WeakPolarHBondContact OE1-CA 3.31Å; A439-N443 HydrophobicContact CB-CB 4.19Å; A439-A444 HydrophobicContact CB-CB 3.89Å; A439-Y449 HydrophobicContact CB-CD1 3.73Å; A439-Y449 HydrophobicContact CB-CE1 4.27Å; A439-Y465 WeakPolarHBondContact O-CA 3.34Å; A439-Y465 WeakPolarHBondContact O-CD2 3.45Å; A439-L466 PolarHBondContact N-O 2.95Å; A439-L466 PolarHBondContact O-N 3.24Å
440	S	97.1	Very high	92.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.4	179.1	-166.7	0	0	0	0	111.2	E412 N443 R457 E463	E412-S440 PolarHBondContact OE1-N 3.32Å; S440-N443 PolarHBondContact O-N 3.28Å; S440-R457 WeakPolarHBondContact O-CD 3.44Å; S440-R457 PolarHBondContact O-NE 3.35Å; S440-E463 PolarHBondContact OG-OE2 2.84Å
441	G	96.4	Very high	92.2	Very high	2 Å²	2	26.7 Å²	26.7	2%	0.021	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	54.9	-124.4	175.8	0	0	0	0	0	111.8	N443 A444 M464 D581	G441-N443 PolarHBondContact O-N 3.27Å; G441-N443 VanDerWaalsContact O-N 3.11Å; G441-A444 WeakPolarHBondContact O-CB 3.48Å; G441-A444 PolarHBondContact O-N 3.31Å; G441-M464 PolarHBondContact N-O 2.9Å; G441-D581 CarbonylContact C-O 3.57Å; G441-D581 WeakPolarHBondContact CA-O 3.39Å
442	P	93.3	Very high	91.7	Very high	39 Å²	39	27.7 Å²	27.7	25%	0.253	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-57.8	-29.4	-174.7	-29.1	36.3	0	0	0	114.9	A444 A445 D581	P442-A444 PolarHBondContact O-N 3.41Å; P442-A445 WeakPolarHBondContact O-CB 3.33Å; P442-A445 PolarHBondContact O-N 2.87Å; P442-D581 WeakPolarHBondContact CA-O 3.44Å; P442-D581 WeakPolarHBondContact CD-O 3.5Å
443	N	93.9	Very high	91.1	Very high	26 Å²	26	32.9 Å²	32.9	14%	0.139	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-66	-29.4	177.4	-76.7	-6.4	0	0	0	111.8	E412 A439 S440 G441 A445 L446 Y449 T455 R457	E412-N443 VanDerWaalsContact CD-ND2 3.34Å; E412-N443 WeakPolarHBondContact OE1-CB 3.39Å; E412-N443 PolarHBondContact OE1-ND2 3.28Å; E412-N443 PolarHBondContact OE2-ND2 2.9Å; A439-N443 HydrophobicContact CB-CB 4.19Å; S440-N443 PolarHBondContact O-N 3.28Å; G441-N443 PolarHBondContact O-N 3.27Å; G441-N443 VanDerWaalsContact O-N 3.11Å; N443-A445 PolarHBondContact O-N 3.08Å; N443-L446 WeakPolarHBondContact O-CB 3.06Å; N443-L446 PolarHBondContact O-N 3.14Å; N443-L446 VanDerWaalsContact O-N 3.15Å; N443-Y449 HydrophobicContact CB-CD1 4.1Å; N443-Y449 HydrophobicContact CB-CD2 4.32Å; N443-Y449 HydrophobicContact CB-CE1 3.92Å; N443-Y449 HydrophobicContact CB-CE2 4.18Å; N443-Y449 HydrophobicContact CB-CG 4.28Å; N443-Y449 PolarHBondContact ND2-OH 2.83Å; N443-T455 PolarHBondContact ND2-O 3.11Å; N443-R457 VanDerWaalsContact CG-CD 3.48Å; N443-R457 WeakPolarHBondContact ND2-CD 3.48Å; N443-R457 VanDerWaalsContact ND2-CG 3.34Å; N443-R457 WeakPolarHBondContact ND2-CG 3.25Å
444	A	94.7	Very high	90.3	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.017	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-69.4	-19.2	177.9	0	0	0	0	0	112.5	A439 G441 P442 L446 L466 Y577 G583	A439-A444 HydrophobicContact CB-CB 3.89Å; G441-A444 WeakPolarHBondContact O-CB 3.48Å; G441-A444 PolarHBondContact O-N 3.31Å; P442-A444 PolarHBondContact O-N 3.41Å; A444-L446 PolarHBondContact O-N 3.16Å; A444-L466 HydrophobicContact CB-CB 3.92Å; A444-Y577 WeakPolarHBondContact O-CD1 3.48Å; A444-G583 WeakPolarHBondContact O-CA 3.44Å
445	A	89.9	Confident	89.8	Confident	15 Å²	15	39.3 Å²	39.3	12%	0.124	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-71.5	-8.4	173.7	0	0	0	0	0	113.2	P442 N443 Y577 K578	P442-A445 WeakPolarHBondContact O-CB 3.33Å; P442-A445 PolarHBondContact O-N 2.87Å; N443-A445 PolarHBondContact O-N 3.08Å; A445-Y577 WeakPolarHBondContact O-CB 3.49Å; A445-K578 VanDerWaalsContact CB-O 3.28Å; A445-K578 WeakPolarHBondContact CB-O 3.31Å
446	L	84.9	Confident	89.7	Confident	95 Å²	95	36.1 Å²	36.1	50%	0.497	22%	0.221	S	C	.	.	S	Bend	trans	-97.9	105.9	176.4	-58.8	175.7	0	0	0	108.8	N443 A444 H448 Y449	N443-L446 WeakPolarHBondContact O-CB 3.06Å; N443-L446 PolarHBondContact O-N 3.14Å; N443-L446 VanDerWaalsContact O-N 3.15Å; A444-L446 PolarHBondContact O-N 3.16Å; L446-H448 PolarHBondContact O-N 3.1Å; L446-Y449 HydrophobicContact CD1-CD2 4.06Å; L446-Y449 WeakPolarHBondContact O-CB 3.27Å; L446-Y449 PolarHBondContact O-N 3.4Å
447	A	77.1	Confident	89.6	Confident	24 Å²	24	40.1 Å²	40.1	20%	0.198	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.9	-170.8	0	0	0	0	0	114.6	I437 Y577 R585	I437-A447 WeakPolarHBondContact CD1-O 3.24Å; A447-Y577 HydrophobicContact CB-CE1 4.08Å; A447-Y577 HydrophobicContact CB-CE2 4.28Å; A447-R585 PolarHBondContact O-NH1 2.98Å
448	H	78.5	Confident	89.6	Confident	94 Å²	94	46.1 Å²	46.1	44%	0.435	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	41.2	-179.2	-59.7	-86.7	0	0	0	113	R132 L446	R132-H448 WeakPolarHBondContact CD-CD2 3.33Å; R132-H448 PolarHBondContact NH1-CD2 3.15Å; R132-H448 PolarHBondContact NH1-NE2 2.68Å; L446-H448 PolarHBondContact O-N 3.1Å
449	Y	86.1	Confident	89.6	Confident	17 Å²	17	46.2 Å²	46.2	7%	0.067	26%	0.262	C	S	.	.			trans	-79.7	124.4	179	172.9	-96.4	0	0	0	113.1	E412 I437 S438 A439 N443 L446 P451 T455	E412-Y449 WeakPolarHBondContact OE2-CE1 3.48Å; E412-Y449 PolarHBondContact OE2-OH 3.05Å; I437-Y449 WeakPolarHBondContact CA-O 3.46Å; I437-Y449 WeakPolarHBondContact CB-O 3.43Å; I437-Y449 WeakPolarHBondContact CG1-O 3.48Å; I437-Y449 VanDerWaalsContact CG2-O 3.28Å; I437-Y449 WeakPolarHBondContact CG2-O 3.43Å; S438-Y449 VanDerWaalsContact O-CE1 3.3Å; S438-Y449 WeakPolarHBondContact O-CE1 3.12Å; A439-Y449 HydrophobicContact CB-CD1 3.73Å; A439-Y449 HydrophobicContact CB-CE1 4.27Å; N443-Y449 HydrophobicContact CB-CD1 4.1Å; N443-Y449 HydrophobicContact CB-CD2 4.32Å; N443-Y449 HydrophobicContact CB-CE1 3.92Å; N443-Y449 HydrophobicContact CB-CE2 4.18Å; N443-Y449 HydrophobicContact CB-CG 4.28Å; N443-Y449 PolarHBondContact ND2-OH 2.83Å; L446-Y449 HydrophobicContact CD1-CD2 4.06Å; L446-Y449 WeakPolarHBondContact O-CB 3.27Å; L446-Y449 PolarHBondContact O-N 3.4Å; Y449-P451 HydrophobicContact CE1-CB 3.93Å; Y449-P451 WeakPolarHBondContact OH-CA 3.32Å; Y449-T455 VanDerWaalsContact OH-C 3.3Å; Y449-T455 PolarHBondContact OH-O 3.3Å; Y449-T455 PolarHBondContact OH-OG1 3Å
450	S	84.4	Confident	89.6	Confident	34 Å²	34	48.6 Å²	48.6	24%	0.238	28%	0.277	C	S	.	.			trans	-109.9	130.9	164.4	-59.4	0	0	0	0	110.1	E435	E435-S450 VanDerWaalsContact CD-CB 3.44Å; E435-S450 VanDerWaalsContact CD-OG 3.23Å; E435-S450 WeakPolarHBondContact CG-OG 3.36Å; E435-S450 WeakPolarHBondContact OE2-CB 3.07Å; E435-S450 PolarHBondContact OE2-OG 3.11Å
451	P	87.4	Confident	89.6	Confident	20 Å²	20	50.7 Å²	50.7	13%	0.13	29%	0.29	C	S	.	.			trans	-69.1	137.8	178.4	28.6	-34.3	0	0	0	111.6	E412 M413 A416 Y449	E412-P451 HydrophobicContact CB-CB 3.76Å; E412-P451 HydrophobicContact CB-CG 4.22Å; M413-P451 HydrophobicContact CB-CB 4.41Å; A416-P451 HydrophobicContact CB-CG 4.33Å; Y449-P451 HydrophobicContact CE1-CB 3.93Å; Y449-P451 WeakPolarHBondContact OH-CA 3.32Å
452	S	86.4	Confident	89.6	Confident	48 Å²	48	56.6 Å²	56.6	34%	0.336	32%	0.32	S	S	.	.			trans	-123.8	168.1	173.2	73.9	0	0	0	0	110.5	A454 T455 S456	S452-A454 PolarHBondContact O-N 2.9Å; S452-A454 PolarHBondContact OG-N 2.83Å; S452-T455 PolarHBondContact N-OG1 2.96Å; S452-T455 PolarHBondContact O-N 2.88Å; S452-T455 VanDerWaalsContact O-N 3.07Å; S452-T455 PolarHBondContact OG-N 2.93Å; S452-T455 PolarHBondContact OG-OG1 3.36Å; S452-S456 WeakPolarHBondContact O-CB 3.4Å; S452-S456 PolarHBondContact O-N 3.26Å
453	N	85.4	Confident	89.8	Confident	148 Å²	148	56.6 Å²	56.6	79%	0.791	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-27.3	172.2	-75	-29.2	0	0	0	113.4	M413	M413-N453 WeakPolarHBondContact CE-OD1 3.24Å
454	A	80.5	Confident	90	Very high	92 Å²	92	55.4 Å²	55.4	76%	0.76	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-24.7	-179.1	0	0	0	0	0	113.5	S452	S452-A454 PolarHBondContact O-N 2.9Å; S452-A454 PolarHBondContact OG-N 2.83Å
455	T	84.6	Confident	90.2	Very high	51 Å²	51	55.3 Å²	55.3	31%	0.313	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-16.3	-171	57.1	0	0	0	0	113.9	N443 Y449 S452 R457	N443-T455 PolarHBondContact ND2-O 3.11Å; Y449-T455 VanDerWaalsContact OH-C 3.3Å; Y449-T455 PolarHBondContact OH-O 3.3Å; Y449-T455 PolarHBondContact OH-OG1 3Å; S452-T455 PolarHBondContact N-OG1 2.96Å; S452-T455 PolarHBondContact O-N 2.88Å; S452-T455 VanDerWaalsContact O-N 3.07Å; S452-T455 PolarHBondContact OG-N 2.93Å; S452-T455 PolarHBondContact OG-OG1 3.36Å; T455-R457 PolarHBondContact O-N 2.98Å
456	S	93.2	Very high	90.6	Very high	34 Å²	34	54.7 Å²	54.7	24%	0.238	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-63.8	121.8	-173.2	-170.5	0	0	0	0	112.3	E412 M413 S452	E412-S456 WeakPolarHBondContact OE2-CA 3.49Å; M413-S456 PolarHBondContact N-OG 3.44Å; M413-S456 VanDerWaalsContact N-OG 3.14Å; S452-S456 WeakPolarHBondContact O-CB 3.4Å; S452-S456 PolarHBondContact O-N 3.26Å
457	R	94.6	Very high	91.2	Very high	90 Å²	90	50.2 Å²	50.2	34%	0.34	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-90.2	155.6	175.7	-63.8	171.6	67.1	83.4	-2.3	111.4	T411 E412 S440 N443 T455 E463	T411-R457 CarbonylContact C-O 3.55Å; T411-R457 WeakPolarHBondContact CA-O 3.43Å; T411-R457 WeakPolarHBondContact CB-O 3.27Å; E412-R457 HydrophobicContact CG-CB 4.4Å; E412-R457 PolarHBondContact N-O 3.47Å; E412-R457 PolarHBondContact OE2-N 3.46Å; S440-R457 WeakPolarHBondContact O-CD 3.44Å; S440-R457 PolarHBondContact O-NE 3.35Å; N443-R457 VanDerWaalsContact CG-CD 3.48Å; N443-R457 WeakPolarHBondContact ND2-CD 3.48Å; N443-R457 VanDerWaalsContact ND2-CG 3.34Å; N443-R457 WeakPolarHBondContact ND2-CG 3.25Å; T455-R457 PolarHBondContact O-N 2.98Å; R457-E463 IonicContact CZ-OE1 2.84Å; R457-E463 IonicContact NE-OE2 2.9Å; R457-E463 IonicContact NH2-OE1 3.29Å; R457-E463 PolarHBondContact NH2-OE1 2.9Å; R457-E463 IonicContact NH2-OE2 2.65Å
458	K	97.4	Very high	92.2	Very high	138 Å²	138	49.7 Å²	49.7	60%	0.6	28%	0.275	S	S	*	.	B	Isolated β-bridge	trans	-71.9	139.7	165.2	-70.4	-172.2	175.5	-169	0	109.8	E410 T411	E410-K458 WeakPolarHBondContact O-CA 3.33Å; T411-K458 HydrophobicContact CG2-CG 4.29Å
459	L	98.3	Very high	93.2	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-78.1	140	172.9	-55	-175.5	0	0	0	109.4	L401 V405 E410 E412 A415 Y465 W486	L401-L459 HydrophobicContact CD2-CD1 3.76Å; V405-L459 HydrophobicContact CG1-CB 4.13Å; V405-L459 HydrophobicContact CG2-CB 3.92Å; V405-L459 HydrophobicContact CG2-CD1 4.07Å; E410-L459 HydrophobicContact CB-CD1 4.23Å; E410-L459 PolarHBondContact O-N 2.86Å; E412-L459 HydrophobicContact CG-CD2 3.97Å; A415-L459 HydrophobicContact CB-CD1 4.03Å; L459-Y465 HydrophobicContact CD1-CD2 4.43Å; L459-Y465 HydrophobicContact CD1-CE2 4.24Å; L459-Y465 HydrophobicContact CD2-CD2 3.65Å; L459-Y465 HydrophobicContact CD2-CE2 3.84Å; L459-W486 HydrophobicContact CD1-CH2 4.49Å
460	T	97.4	Very high	93.8	Very high	49 Å²	49	44.5 Å²	44.5	30%	0.301	25%	0.252	S	S	.	.			trans	-134.1	163.8	178.9	75.4	0	0	0	0	110.6	D462	T460-D462 VanDerWaalsContact C-N 3.28Å; T460-D462 PolarHBondContact OG1-N 2.85Å
461	V	97.6	Very high	94.4	Very high	45 Å²	45	42.9 Å²	42.9	27%	0.273	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-15.3	176.7	-61.5	0	0	0	0	113.1	V405 P406 H485 W486 G487	V405-V461 HydrophobicContact CG1-CG1 4.21Å; P406-V461 HydrophobicContact CB-CG1 4.42Å; P406-V461 HydrophobicContact CG-CG1 4.06Å; V461-H485 PolarHBondContact O-CE1 2.95Å; V461-W486 HydrophobicContact CB-CB 4.21Å; V461-W486 HydrophobicContact CG1-CB 4.02Å; V461-G487 WeakPolarHBondContact O-CA 3.44Å; V461-G487 PolarHBondContact O-N 3.23Å
462	D	96.4	Very high	94.9	Very high	125 Å²	125	42.1 Å²	42.1	67%	0.668	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-4.7	-172.7	-58.4	-46.3	0	0	0	113.2	T460	T460-D462 VanDerWaalsContact C-N 3.28Å; T460-D462 PolarHBondContact OG1-N 2.85Å
463	E	96.9	Very high	95.5	Very high	40 Å²	40	39.9 Å²	39.9	19%	0.187	22%	0.219	C	C	.	.	S	Bend	trans	-112.6	152.7	179.9	-68.3	-176.6	159.8	0	0	111.3	S440 R457	S440-E463 PolarHBondContact OG-OE2 2.84Å; R457-E463 IonicContact CZ-OE1 2.84Å; R457-E463 IonicContact NE-OE2 2.9Å; R457-E463 IonicContact NH2-OE1 3.29Å; R457-E463 PolarHBondContact NH2-OE1 2.9Å; R457-E463 IonicContact NH2-OE2 2.65Å
464	M	97.9	Very high	95.9	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	142	164.5	-66.8	-175.8	79.9	0	0	109.9	G441 T483 Q493 F497 F582 I584 L618	G441-M464 PolarHBondContact N-O 2.9Å; M464-T483 HydrophobicContact CB-CG2 4.46Å; M464-T483 HydrophobicContact CE-CG2 3.57Å; M464-Q493 HydrophobicContact CG-CG 4.16Å; M464-Q493 HydrophobicContact SD-CB 3.64Å; M464-Q493 HydrophobicContact SD-CG 3.46Å; M464-Q493 WeakPolarHBondContact SD-CG 3.37Å; M464-F497 HydrophobicContact CE-CD2 4.35Å; M464-F582 HydrophobicContact CB-CB 4.33Å; M464-F582 HydrophobicContact CG-CB 4.49Å; M464-F582 HydrophobicContact SD-CB 4.12Å; M464-F582 HydrophobicContact SD-CD2 3.58Å; M464-F582 VanDerWaalsContact SD-CD2 3.58Å; M464-F582 HydrophobicContact SD-CE2 4.17Å; M464-F582 HydrophobicContact SD-CG 3.88Å; M464-I584 HydrophobicContact CE-CD1 3.85Å; M464-I584 HydrophobicContact CE-CG1 3.62Å; M464-I584 HydrophobicContact SD-CD1 4.32Å; M464-I584 HydrophobicContact SD-CG1 4.21Å; M464-L618 HydrophobicContact CE-CD1 3.66Å; M464-L618 HydrophobicContact CE-CD2 3.76Å; M464-L618 HydrophobicContact CE-CG 4.37Å
465	Y	98.6	Very high	96.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.9	174.2	172.4	-105.1	0	0	0	110.1	L401 A415 S438 A439 L459 V467 T483 V484 W486	L401-Y465 HydrophobicContact CD1-CD1 4.21Å; L401-Y465 HydrophobicContact CD1-CE1 3.58Å; A415-Y465 HydrophobicContact CB-CE2 4.45Å; A415-Y465 VanDerWaalsContact CB-OH 3.27Å; A415-Y465 WeakPolarHBondContact CB-OH 3.32Å; S438-Y465 WeakPolarHBondContact OG-CE2 3.27Å; S438-Y465 PolarHBondContact OG-OH 3.27Å; A439-Y465 WeakPolarHBondContact O-CA 3.34Å; A439-Y465 WeakPolarHBondContact O-CD2 3.45Å; L459-Y465 HydrophobicContact CD1-CD2 4.43Å; L459-Y465 HydrophobicContact CD1-CE2 4.24Å; L459-Y465 HydrophobicContact CD2-CD2 3.65Å; L459-Y465 HydrophobicContact CD2-CE2 3.84Å; Y465-V467 HydrophobicContact CE1-CB 3.7Å; Y465-V467 HydrophobicContact CE1-CG1 3.94Å; Y465-T483 CarbonylContact O-C 3.2Å; Y465-T483 VanDerWaalsContact O-CA 3.29Å; Y465-T483 WeakPolarHBondContact O-CA 3.31Å; Y465-T483 WeakPolarHBondContact O-CG2 3.45Å; Y465-V484 HydrophobicContact CD1-CG2 3.85Å; Y465-V484 HydrophobicContact CG-CG2 4.5Å; Y465-V484 PolarHBondContact N-O 3.4Å; Y465-V484 PolarHBondContact O-N 2.65Å; Y465-W486 VanDerWaalsContact CB-CZ3 3.44Å; Y465-W486 AromaticContact CD1-CH2 3.46Å; Y465-W486 HydrophobicContact CD1-CH2 3.46Å; Y465-W486 VanDerWaalsContact CD1-CH2 3.46Å; Y465-W486 HydrophobicContact CD1-CZ2 4.02Å; Y465-W486 HydrophobicContact CD1-CZ3 4.39Å; Y465-W486 HydrophobicContact CD2-CH2 4.28Å; Y465-W486 HydrophobicContact CE1-CH2 4.29Å; Y465-W486 AromaticContact CG-CH2 3.45Å; Y465-W486 HydrophobicContact CG-CH2 3.45Å; Y465-W486 VanDerWaalsContact CG-CH2 3.45Å; Y465-W486 HydrophobicContact CG-CZ2 4.42Å; Y465-W486 AromaticContact CG-CZ3 3.97Å; Y465-W486 HydrophobicContact CG-CZ3 3.97Å
466	L	98.6	Very high	97.1	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129	174.7	-176.8	154.5	0	0	0	108.5	I437 A439 A444 D468 T481 T483 R585	I437-L466 HydrophobicContact CG2-CD2 3.76Å; A439-L466 PolarHBondContact N-O 2.95Å; A439-L466 PolarHBondContact O-N 3.24Å; A444-L466 HydrophobicContact CB-CB 3.92Å; L466-D468 HydrophobicContact CD2-CB 4.09Å; L466-T481 HydrophobicContact CD1-CG2 4.34Å; L466-T481 HydrophobicContact CD2-CG2 3.95Å; L466-T481 HydrophobicContact CG-CG2 3.91Å; L466-T483 HydrophobicContact CB-CG2 4.34Å; L466-R585 HydrophobicContact CD1-CB 3.96Å
467	V	98.5	Very high	97.3	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.3	167.2	59.7	0	0	0	0	109.4	L397 L398 T436 I437 Y465 T481 R482	L397-V467 HydrophobicContact CD2-CB 4.32Å; L397-V467 HydrophobicContact CD2-CG1 3.99Å; L397-V467 HydrophobicContact CD2-CG2 3.89Å; L398-V467 HydrophobicContact CD2-CG1 4.48Å; T436-V467 HydrophobicContact CG2-CG2 4.35Å; I437-V467 CarbonylContact O-C 3.41Å; I437-V467 VanDerWaalsContact O-CA 3.31Å; I437-V467 WeakPolarHBondContact O-CA 3.49Å; Y465-V467 HydrophobicContact CE1-CB 3.7Å; Y465-V467 HydrophobicContact CE1-CG1 3.94Å; V467-T481 CarbonylContact O-C 3.59Å; V467-T481 VanDerWaalsContact O-CA 3.29Å; V467-T481 WeakPolarHBondContact O-CA 3.29Å; V467-T481 WeakPolarHBondContact O-CG2 3.46Å; V467-R482 HydrophobicContact CG1-CB 4.48Å; V467-R482 PolarHBondContact N-O 3.2Å; V467-R482 PolarHBondContact O-N 2.8Å
468	D	98.6	Very high	97.5	Very high	13 Å²	13	21.3 Å²	21.3	7%	0.07	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120	171.5	175.4	17	0	0	0	108.8	F434 I437 L466 T481 R585	F434-D468 WeakPolarHBondContact CZ-OD1 3.36Å; I437-D468 HydrophobicContact CB-CB 3.95Å; I437-D468 HydrophobicContact CD1-CB 4.35Å; I437-D468 HydrophobicContact CG2-CB 4.35Å; I437-D468 PolarHBondContact N-O 2.94Å; I437-D468 PolarHBondContact O-N 3.38Å; L466-D468 HydrophobicContact CD2-CB 4.09Å; D468-T481 HydrophobicContact CB-CG2 3.74Å; D468-T481 WeakPolarHBondContact CB-OG1 3.29Å; D468-T481 PolarHBondContact OD1-OG1 3.26Å; D468-T481 VanDerWaalsContact OD1-OG1 3.06Å; D468-T481 PolarHBondContact OD2-OG1 3.39Å; D468-R585 VanDerWaalsContact CG-NH2 3.31Å; D468-R585 IonicContact OD2-CZ 3.54Å; D468-R585 IonicContact OD2-NE 3.84Å; D468-R585 PolarHBondContact OD2-NE 2.94Å; D468-R585 IonicContact OD2-NH2 2.65Å; D468-R585 PolarHBondContact OD2-NH2 3.19Å
469	S	98.4	Very high	97.6	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.007	8%	0.081	C	C	.	.			trans	-162.9	146.2	-168.4	67	0	0	0	0	111.9	R423 F434 I480	R423-S469 PolarHBondContact NH1-OG 2.87Å; R423-S469 PolarHBondContact NH2-O 3.31Å; R423-S469 PolarHBondContact NH2-OG 3.34Å; F434-S469 VanDerWaalsContact CZ-C 3.47Å; F434-S469 VanDerWaalsContact CZ-CA 3.44Å; S469-I480 PolarHBondContact N-O 3.01Å; S469-I480 VanDerWaalsContact N-O 3.13Å; S469-I480 VanDerWaalsContact O-CG2 3.27Å; S469-I480 WeakPolarHBondContact O-CG2 3.37Å; S469-I480 PolarHBondContact O-N 2.85Å
470	G	98.3	Very high	97.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.			trans	-143.6	170.9	175.3	0	0	0	0	0	113.1	P432 S433 T478	P432-G470 VanDerWaalsContact CA-O 3.29Å; P432-G470 WeakPolarHBondContact CA-O 3.46Å; S433-G470 PolarHBondContact N-O 3.1Å; S433-G470 WeakPolarHBondContact OG-CA 3.4Å; S433-G470 PolarHBondContact OG-O 3.35Å; G470-T478 VanDerWaalsContact CA-O 3.25Å; G470-T478 WeakPolarHBondContact CA-O 3.15Å
471	G	98.1	Very high	97.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145	-178.9	0	0	0	0	0	112.6	S433 T477 T478	S433-G471 PolarHBondContact OG-N 2.79Å; G471-T477 WeakPolarHBondContact O-CA 3.3Å; G471-T478 PolarHBondContact N-OG1 3.18Å; G471-T478 PolarHBondContact O-N 3.36Å
472	Q	98.1	Very high	97.7	Very high	5 Å²	5	10.9 Å²	10.9	2%	0.023	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130.8	160.9	-65.3	-65.5	1.8	0	0	109.3	Y273 S429 R430 G431 T477 Y547 F548	Y273-Q472 WeakPolarHBondContact O-CG 3.5Å; Y273-Q472 PolarHBondContact O-NE2 2.75Å; S429-Q472 CarbonylContact C-O 3.58Å; R430-Q472 HydrophobicContact CB-CB 3.98Å; R430-Q472 PolarHBondContact N-O 2.61Å; G431-Q472 PolarHBondContact O-N 3.34Å; Q472-T477 PolarHBondContact OE1-OG1 3.11Å; Q472-Y547 HydrophobicContact CB-CD2 4.11Å; Q472-Y547 HydrophobicContact CB-CE2 4.1Å; Q472-F548 PolarHBondContact NE2-O 3.46Å; Q472-F548 PolarHBondContact OE1-O 2.74Å
473	Y	97.6	Very high	97.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.8	172.4	-59.5	-91.7	0	0	0	107.8	A386 D390 Q426 K427 D428 D475 G476 T478 Y547	A386-Y473 HydrophobicContact CB-CD2 4.2Å; A386-Y473 HydrophobicContact CB-CG 4.38Å; D390-Y473 HydrophobicContact CB-CE2 4.05Å; D390-Y473 WeakPolarHBondContact OD1-CE2 3.39Å; D390-Y473 PolarHBondContact OD1-OH 3.24Å; Q426-Y473 HydrophobicContact CB-CE1 3.8Å; K427-Y473 WeakPolarHBondContact O-CD1 3.23Å; D428-Y473 CarbonylContact O-C 3.48Å; D428-Y473 VanDerWaalsContact O-CA 3.27Å; D428-Y473 WeakPolarHBondContact O-CA 3.13Å; Y473-D475 WeakPolarHBondContact CB-OD1 3.39Å; Y473-D475 PolarHBondContact O-N 2.8Å; Y473-G476 CarbonylContact C-O 3.57Å; Y473-G476 WeakPolarHBondContact CA-O 3.41Å; Y473-G476 WeakPolarHBondContact CB-O 3.31Å; Y473-G476 PolarHBondContact N-O 3.06Å; Y473-G476 PolarHBondContact O-N 2.95Å; Y473-G476 VanDerWaalsContact O-N 3.14Å; Y473-T478 HydrophobicContact CD2-CG2 4.3Å; Y473-T478 HydrophobicContact CE2-CG2 4.02Å; Y473-Y547 WeakPolarHBondContact O-CB 3.41Å; Y473-Y547 WeakPolarHBondContact O-CD2 3.37Å
474	L	94.6	Very high	97.9	Very high	18 Å²	18	3.7 Å²	3.7	9%	0.094	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-20.2	176.1	-76.8	-179.3	0	0	0	113.8	D428 R430 Y547	D428-L474 HydrophobicContact CB-CB 4.07Å; D428-L474 HydrophobicContact CB-CG 4.47Å; D428-L474 PolarHBondContact O-N 2.69Å; R430-L474 HydrophobicContact CG-CD2 4.26Å; R430-L474 HydrophobicContact CG-CG 4.38Å; L474-Y547 HydrophobicContact CD2-CD1 4.16Å; L474-Y547 HydrophobicContact CD2-CE1 3.61Å
475	D	93.4	Very high	97.9	Very high	7 Å²	7	3.7 Å²	3.7	4%	0.037	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	17.1	-171.6	68.4	-21.5	0	0	0	112.6	V226 I382 R389 Y473 N546	V226-D475 HydrophobicContact CB-CB 4.46Å; V226-D475 HydrophobicContact CG1-CB 3.67Å; I382-D475 CarbonylContact C-O 3.55Å; I382-D475 HydrophobicContact CB-CB 4Å; I382-D475 HydrophobicContact CD1-CB 4.05Å; I382-D475 HydrophobicContact CG1-CB 4.28Å; I382-D475 VanDerWaalsContact CG1-O 3.29Å; I382-D475 WeakPolarHBondContact CG1-O 3.14Å; R389-D475 IonicContact CZ-OD1 3.26Å; R389-D475 IonicContact CZ-OD2 2.96Å; R389-D475 IonicContact NH1-OD2 2.64Å; R389-D475 IonicContact NH2-OD1 3.52Å; R389-D475 PolarHBondContact NH2-OD1 2.81Å; R389-D475 IonicContact NH2-OD2 2.63Å; R389-D475 PolarHBondContact NH2-OD2 3.42Å; Y473-D475 WeakPolarHBondContact CB-OD1 3.39Å; Y473-D475 PolarHBondContact O-N 2.8Å; D475-N546 PolarHBondContact O-OD1 3.32Å
476	G	96.4	Very high	97.9	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	163.6	172.3	0	0	0	0	0	114.9	Y473 N546	Y473-G476 CarbonylContact C-O 3.57Å; Y473-G476 WeakPolarHBondContact CA-O 3.41Å; Y473-G476 WeakPolarHBondContact CB-O 3.31Å; Y473-G476 PolarHBondContact N-O 3.06Å; Y473-G476 PolarHBondContact O-N 2.95Å; Y473-G476 VanDerWaalsContact O-N 3.14Å; G476-N546 VanDerWaalsContact CA-OD1 3.28Å; G476-N546 WeakPolarHBondContact CA-OD1 3.36Å; G476-N546 PolarHBondContact N-OD1 2.8Å
477	T	98.5	Very high	97.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.9	168.7	-55.2	0	0	0	0	107.4	L383 H387 G471 Q472 V544 G545 Y547 F548 V550	L383-T477 WeakPolarHBondContact CD1-O 3.3Å; H387-T477 PolarHBondContact CE1-O 2.8Å; H387-T477 VanDerWaalsContact CE1-O 3.3Å; G471-T477 WeakPolarHBondContact O-CA 3.3Å; Q472-T477 PolarHBondContact OE1-OG1 3.11Å; T477-V544 WeakPolarHBondContact O-CG1 3.39Å; T477-G545 WeakPolarHBondContact CB-O 3.42Å; T477-Y547 VanDerWaalsContact OG1-CA 3.27Å; T477-Y547 WeakPolarHBondContact OG1-CA 3.23Å; T477-Y547 PolarHBondContact OG1-N 2.56Å; T477-Y547 VanDerWaalsContact OG1-N 3.11Å; T477-F548 PolarHBondContact OG1-N 3.31Å; T477-F548 PolarHBondContact OG1-O 3.49Å; T477-V550 HydrophobicContact CG2-CB 4.06Å; T477-V550 HydrophobicContact CG2-CG2 4.27Å
478	T	98.7	Very high	97.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.074	C	C	.	.			trans	-116.3	155.6	178.7	69.4	0	0	0	0	111.3	A386 D390 S433 G470 G471 Y473	A386-T478 HydrophobicContact CB-CG2 4.49Å; D390-T478 HydrophobicContact CB-CG2 3.66Å; D390-T478 PolarHBondContact OD1-OG1 2.8Å; D390-T478 PolarHBondContact OD2-OG1 3.21Å; S433-T478 PolarHBondContact OG-O 3.14Å; G470-T478 VanDerWaalsContact CA-O 3.25Å; G470-T478 WeakPolarHBondContact CA-O 3.15Å; G471-T478 PolarHBondContact N-OG1 3.18Å; G471-T478 PolarHBondContact O-N 3.36Å; Y473-T478 HydrophobicContact CD2-CG2 4.3Å; Y473-T478 HydrophobicContact CE2-CG2 4.02Å
479	D	98.6	Very high	97.7	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.016	8%	0.076	C	C	.	.			trans	-146.3	132	172.1	-155.3	-15.6	0	0	0	109	F434 H542 V550 V589	F434-D479 HydrophobicContact CE1-CB 4.49Å; F434-D479 WeakPolarHBondContact CE1-OD1 3.3Å; F434-D479 WeakPolarHBondContact CZ-OD1 3.32Å; D479-H542 IonicContact OD2-CE1 2.69Å; D479-H542 PolarHBondContact OD2-CE1 3.49Å; D479-H542 IonicContact OD2-NE2 3.83Å; D479-V550 HydrophobicContact CB-CG2 3.72Å; D479-V550 WeakPolarHBondContact OD2-CG2 3.46Å; D479-V589 HydrophobicContact CB-CG2 4.14Å; D479-V589 WeakPolarHBondContact O-CG2 3.44Å
480	I	98.7	Very high	97.7	Very high	8 Å²	8	17.2 Å²	17.2	4%	0.041	10%	0.097	C	C	.	.			trans	-162.5	125.3	-177.3	-171.7	170.9	0	0	0	111.9	V394 S469 V612	V394-I480 HydrophobicContact CG2-CG2 3.9Å; S469-I480 PolarHBondContact N-O 3.01Å; S469-I480 VanDerWaalsContact N-O 3.13Å; S469-I480 VanDerWaalsContact O-CG2 3.27Å; S469-I480 WeakPolarHBondContact O-CG2 3.37Å; S469-I480 PolarHBondContact O-N 2.85Å; I480-V612 HydrophobicContact CD1-CB 3.77Å; I480-V612 HydrophobicContact CD1-CG2 3.53Å
481	T	98.8	Very high	97.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.2	170.3	-52.2	0	0	0	0	111.8	L466 V467 D468 R585 E587	L466-T481 HydrophobicContact CD1-CG2 4.34Å; L466-T481 HydrophobicContact CD2-CG2 3.95Å; L466-T481 HydrophobicContact CG-CG2 3.91Å; V467-T481 CarbonylContact O-C 3.59Å; V467-T481 VanDerWaalsContact O-CA 3.29Å; V467-T481 WeakPolarHBondContact O-CA 3.29Å; V467-T481 WeakPolarHBondContact O-CG2 3.46Å; D468-T481 HydrophobicContact CB-CG2 3.74Å; D468-T481 WeakPolarHBondContact CB-OG1 3.29Å; D468-T481 PolarHBondContact OD1-OG1 3.26Å; D468-T481 VanDerWaalsContact OD1-OG1 3.06Å; D468-T481 PolarHBondContact OD2-OG1 3.39Å; T481-R585 HydrophobicContact CG2-CB 3.73Å; T481-R585 HydrophobicContact CG2-CG 3.86Å; T481-R585 WeakPolarHBondContact CG2-O 3.38Å; T481-R585 PolarHBondContact OG1-NE 3.19Å; T481-E587 PolarHBondContact N-OE2 3.13Å; T481-E587 PolarHBondContact O-N 2.84Å; T481-E587 PolarHBondContact OG1-OE2 3.23Å
482	R	98.8	Very high	97.7	Very high	5 Å²	5	26.5 Å²	26.5	2%	0.019	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.4	167	-68.7	-66.6	178	-89	6	110.4	V467 E587 D588 V612 Y635	V467-R482 HydrophobicContact CG1-CB 4.48Å; V467-R482 PolarHBondContact N-O 3.2Å; V467-R482 PolarHBondContact O-N 2.8Å; R482-E587 PolarHBondContact NH1-O 3.14Å; R482-D588 IonicContact CZ-OD1 2.81Å; R482-D588 IonicContact NH1-OD1 3.66Å; R482-D588 PolarHBondContact NH1-OD1 3.07Å; R482-D588 IonicContact NH2-OD1 3.95Å; R482-D588 PolarHBondContact NH2-OD1 3.24Å; R482-V612 HydrophobicContact CG-CB 4.49Å; R482-V612 HydrophobicContact CG-CG1 4Å; R482-V612 VanDerWaalsContact CZ-O 3.29Å; R482-V612 PolarHBondContact NE-O 3.08Å; R482-V612 PolarHBondContact NH2-O 3.37Å; R482-Y635 PolarHBondContact NH2-OH 3.02Å; R482-Y635 VanDerWaalsContact NH2-OH 3.11Å
483	T	98.8	Very high	97.7	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.1	172.2	-47.9	0	0	0	0	109.3	M464 Y465 L466 F497 I584 R585	M464-T483 HydrophobicContact CB-CG2 4.46Å; M464-T483 HydrophobicContact CE-CG2 3.57Å; Y465-T483 CarbonylContact O-C 3.2Å; Y465-T483 VanDerWaalsContact O-CA 3.29Å; Y465-T483 WeakPolarHBondContact O-CA 3.31Å; Y465-T483 WeakPolarHBondContact O-CG2 3.45Å; L466-T483 HydrophobicContact CB-CG2 4.34Å; T483-F497 WeakPolarHBondContact O-CE2 3.4Å; T483-I584 HydrophobicContact CG2-CG1 4.45Å; T483-R585 PolarHBondContact OG1-N 3.15Å; T483-R585 PolarHBondContact OG1-O 2.98Å
484	V	98.5	Very high	97.7	Very high	12 Å²	12	29.6 Å²	29.6	7%	0.073	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	165.1	-173.5	-54.6	0	0	0	0	112.2	L398 Y465 W486 D615	L398-V484 HydrophobicContact CD2-CG1 3.98Å; Y465-V484 HydrophobicContact CD1-CG2 3.85Å; Y465-V484 HydrophobicContact CG-CG2 4.5Å; Y465-V484 PolarHBondContact N-O 3.4Å; Y465-V484 PolarHBondContact O-N 2.65Å; V484-W486 HydrophobicContact CG2-CH2 4.02Å; V484-W486 HydrophobicContact CG2-CZ2 3.6Å; V484-D615 WeakPolarHBondContact CA-OD2 3.44Å; V484-D615 HydrophobicContact CB-CB 4.24Å; V484-D615 WeakPolarHBondContact CB-OD2 3.46Å; V484-D615 HydrophobicContact CG1-CB 4.14Å
485	H	98.2	Very high	97.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	125.5	175.1	-166.4	-67.1	0	0	0	111.6	V461 G487 I488 P489 D615 K617 L618	V461-H485 PolarHBondContact O-CE1 2.95Å; H485-G487 PolarHBondContact ND1-N 3.32Å; H485-G487 VanDerWaalsContact ND1-N 3.11Å; H485-G487 PolarHBondContact ND1-O 2.87Å; H485-I488 VanDerWaalsContact CE1-C 3.45Å; H485-I488 PolarHBondContact CE1-N 3.5Å; H485-P489 HydrophobicContact CB-CB 4.45Å; H485-D615 PolarHBondContact N-OD2 2.94Å; H485-K617 WeakPolarHBondContact O-CD 3.39Å; H485-K617 PolarHBondContact O-NZ 3.37Å; H485-L618 HydrophobicContact CB-CD1 4.41Å; H485-L618 HydrophobicContact CB-CD2 3.98Å; H485-L618 HydrophobicContact CB-CG 4.23Å
486	W	96.9	Very high	98.2	Very high	31 Å²	31	31.6 Å²	31.6	12%	0.117	17%	0.168	C	C	.	.	S	Bend	trans	-88.6	-27.8	-175.7	-61.1	-74.3	0	0	0	114.3	L401 V405 L459 V461 Y465 V484 K617	L401-W486 HydrophobicContact CB-CH2 4.32Å; L401-W486 HydrophobicContact CB-CZ2 3.55Å; L401-W486 HydrophobicContact CD1-CH2 4.18Å; L401-W486 HydrophobicContact CD1-CZ2 3.95Å; L401-W486 HydrophobicContact CG-CZ2 4.35Å; V405-W486 HydrophobicContact CB-CD2 4.31Å; V405-W486 HydrophobicContact CB-CE3 4.28Å; V405-W486 HydrophobicContact CG1-CD2 4.21Å; V405-W486 HydrophobicContact CG1-CE3 3.76Å; V405-W486 HydrophobicContact CG1-CZ3 4.09Å; V405-W486 HydrophobicContact CG2-CD2 4.36Å; V405-W486 HydrophobicContact CG2-CE3 4.23Å; V405-W486 HydrophobicContact CG2-CH2 3.96Å; V405-W486 HydrophobicContact CG2-CZ2 4.14Å; V405-W486 HydrophobicContact CG2-CZ3 4.01Å; L459-W486 HydrophobicContact CD1-CH2 4.49Å; V461-W486 HydrophobicContact CB-CB 4.21Å; V461-W486 HydrophobicContact CG1-CB 4.02Å; Y465-W486 VanDerWaalsContact CB-CZ3 3.44Å; Y465-W486 AromaticContact CD1-CH2 3.46Å; Y465-W486 HydrophobicContact CD1-CH2 3.46Å; Y465-W486 VanDerWaalsContact CD1-CH2 3.46Å; Y465-W486 HydrophobicContact CD1-CZ2 4.02Å; Y465-W486 HydrophobicContact CD1-CZ3 4.39Å; Y465-W486 HydrophobicContact CD2-CH2 4.28Å; Y465-W486 HydrophobicContact CE1-CH2 4.29Å; Y465-W486 AromaticContact CG-CH2 3.45Å; Y465-W486 HydrophobicContact CG-CH2 3.45Å; Y465-W486 VanDerWaalsContact CG-CH2 3.45Å; Y465-W486 HydrophobicContact CG-CZ2 4.42Å; Y465-W486 AromaticContact CG-CZ3 3.97Å; Y465-W486 HydrophobicContact CG-CZ3 3.97Å; V484-W486 HydrophobicContact CG2-CH2 4.02Å; V484-W486 HydrophobicContact CG2-CZ2 3.6Å; W486-K617 PolarHBondContact O-NZ 3.43Å
487	G	96.1	Very high	98.3	Very high	23 Å²	23	31.6 Å²	31.6	24%	0.237	17%	0.168	C	C	.	.	S	Bend	trans	-95.6	-134.3	175.4	0	0	0	0	0	113.8	V461 H485	V461-G487 WeakPolarHBondContact O-CA 3.44Å; V461-G487 PolarHBondContact O-N 3.23Å; H485-G487 PolarHBondContact ND1-N 3.32Å; H485-G487 VanDerWaalsContact ND1-N 3.11Å; H485-G487 PolarHBondContact ND1-O 2.87Å
488	I	97.2	Very high	98.3	Very high	157 Å²	157	31.6 Å²	31.6	81%	0.805	17%	0.168	S	C	*	.			trans	-106.4	108.3	-179.3	-56.2	173.9	0	0	0	109.6	H485	H485-I488 VanDerWaalsContact CE1-C 3.45Å; H485-I488 PolarHBondContact CE1-N 3.5Å
489	P	98.1	Very high	98.3	Very high	17 Å²	17	32.9 Å²	32.9	11%	0.11	17%	0.172	C	C	.	.			trans	-70.6	148.6	177.3	29.2	-34.1	0	0	0	111.5	H485 Q493 K494 K617 L618	H485-P489 HydrophobicContact CB-CB 4.45Å; P489-Q493 HydrophobicContact CB-CB 4.35Å; P489-K494 HydrophobicContact CB-CG 4.08Å; P489-K494 HydrophobicContact CG-CD 4.15Å; P489-K494 HydrophobicContact CG-CG 3.87Å; P489-K617 HydrophobicContact CG-CB 4.43Å; P489-L618 HydrophobicContact CB-CD2 3.59Å; P489-L618 HydrophobicContact CG-CD2 4.03Å
490	T	98.4	Very high	98.4	Very high	73 Å²	73	32.7 Å²	32.7	45%	0.448	17%	0.172	S	C	.	.			trans	-72.1	161.1	174.6	67	0	0	0	0	112.1	M492 Q493 K494	T490-M492 VanDerWaalsContact C-N 3.27Å; T490-M492 PolarHBondContact O-N 2.99Å; T490-Q493 PolarHBondContact O-N 2.91Å; T490-Q493 VanDerWaalsContact O-N 3.15Å; T490-Q493 WeakPolarHBondContact OG1-CB 3.14Å; T490-Q493 VanDerWaalsContact OG1-CG 3.22Å; T490-Q493 WeakPolarHBondContact OG1-CG 3.31Å; T490-Q493 PolarHBondContact OG1-N 3.5Å; T490-Q493 PolarHBondContact OG1-OE1 3.39Å; T490-K494 PolarHBondContact O-N 3.12Å
491	D	98.4	Very high	98.4	Very high	135 Å²	135	32.3 Å²	32.3	72%	0.722	17%	0.17	S	C	*	.	H	α-helix	trans	-57	-41.4	176.3	-66.2	-23.3	0	0	0	112	K494 E495	D491-K494 PolarHBondContact O-N 3.24Å; D491-E495 WeakPolarHBondContact O-CB 3.22Å; D491-E495 PolarHBondContact O-N 3.44Å
492	M	97.9	Very high	98.4	Very high	60 Å²	60	33.1 Å²	33.1	30%	0.296	17%	0.174	S	C	.	.	H	α-helix	trans	-63.6	-42.3	177	179.6	62.8	-167.1	0	0	112.3	T490 A496 L534 Y576 F582	T490-M492 VanDerWaalsContact C-N 3.27Å; T490-M492 PolarHBondContact O-N 2.99Å; M492-A496 HydrophobicContact CE-CB 4.43Å; M492-A496 VanDerWaalsContact O-CB 3.25Å; M492-A496 WeakPolarHBondContact O-CB 3.5Å; M492-A496 PolarHBondContact O-N 3.29Å; M492-L534 HydrophobicContact CE-CD1 3.97Å; M492-L534 HydrophobicContact CE-CD2 4.45Å; M492-Y576 HydrophobicContact CE-CE1 3.75Å; M492-F582 HydrophobicContact CG-CE1 4.26Å; M492-F582 HydrophobicContact CG-CZ 4.1Å
493	Q	98.7	Very high	98.4	Very high	12 Å²	12	32.9 Å²	32.9	6%	0.056	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-42.5	177.9	-73.1	167.7	-29.6	0	0	111.2	M464 P489 T490 F497 F582	M464-Q493 HydrophobicContact CG-CG 4.16Å; M464-Q493 HydrophobicContact SD-CB 3.64Å; M464-Q493 HydrophobicContact SD-CG 3.46Å; M464-Q493 WeakPolarHBondContact SD-CG 3.37Å; P489-Q493 HydrophobicContact CB-CB 4.35Å; T490-Q493 PolarHBondContact O-N 2.91Å; T490-Q493 VanDerWaalsContact O-N 3.15Å; T490-Q493 WeakPolarHBondContact OG1-CB 3.14Å; T490-Q493 VanDerWaalsContact OG1-CG 3.22Å; T490-Q493 WeakPolarHBondContact OG1-CG 3.31Å; T490-Q493 PolarHBondContact OG1-N 3.5Å; T490-Q493 PolarHBondContact OG1-OE1 3.39Å; Q493-F497 VanDerWaalsContact O-CB 3.23Å; Q493-F497 WeakPolarHBondContact O-CB 3.44Å; Q493-F497 PolarHBondContact O-N 3.2Å; Q493-F582 HydrophobicContact CG-CD1 3.73Å; Q493-F582 HydrophobicContact CG-CD2 4.37Å; Q493-F582 HydrophobicContact CG-CE1 3.61Å; Q493-F582 HydrophobicContact CG-CE2 4.27Å; Q493-F582 HydrophobicContact CG-CG 4.13Å; Q493-F582 HydrophobicContact CG-CZ 3.9Å
494	K	98.8	Very high	98.4	Very high	58 Å²	58	32.8 Å²	32.8	25%	0.252	17%	0.172	S	C	.	.	H	α-helix	trans	-65.2	-46.3	176.3	-69	178.8	69.6	-162.9	0	112.3	P489 T490 D491 F497 T498 L618	P489-K494 HydrophobicContact CB-CG 4.08Å; P489-K494 HydrophobicContact CG-CD 4.15Å; P489-K494 HydrophobicContact CG-CG 3.87Å; T490-K494 PolarHBondContact O-N 3.12Å; D491-K494 PolarHBondContact O-N 3.24Å; K494-F497 PolarHBondContact O-N 2.98Å; K494-T498 VanDerWaalsContact O-CB 3.27Å; K494-T498 WeakPolarHBondContact O-CB 3.49Å; K494-T498 PolarHBondContact O-N 2.95Å; K494-T498 PolarHBondContact O-OG1 2.82Å; K494-L618 WeakPolarHBondContact CA-O 3.4Å
495	E	98.8	Very high	98.4	Very high	66 Å²	66	32.2 Å²	32.2	31%	0.308	17%	0.169	S	C	.	.	H	α-helix	trans	-61.9	-49.3	178.7	177	167.1	-168.4	0	0	111	D491 F497 T498 R499 L623	D491-E495 WeakPolarHBondContact O-CB 3.22Å; D491-E495 PolarHBondContact O-N 3.44Å; E495-F497 PolarHBondContact O-N 3.08Å; E495-T498 PolarHBondContact O-N 2.78Å; E495-R499 VanDerWaalsContact O-CG 3.32Å; E495-R499 WeakPolarHBondContact O-CG 3.47Å; E495-R499 PolarHBondContact O-N 2.82Å; E495-R499 IonicContact OE1-CZ 2.75Å; E495-R499 VanDerWaalsContact OE1-CZ 3.3Å; E495-R499 IonicContact OE1-NE 3.26Å; E495-R499 PolarHBondContact OE1-NE 3.05Å; E495-R499 IonicContact OE1-NH2 3.83Å; E495-R499 PolarHBondContact OE1-NH2 3.23Å; E495-L623 HydrophobicContact CB-CD1 4.4Å; E495-L623 HydrophobicContact CG-CD1 4.08Å
496	A	98.8	Very high	98.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.2	-46.7	178.8	0	0	0	0	0	111.7	M492 T498 R499 V500 Y576 F582 I584	M492-A496 HydrophobicContact CE-CB 4.43Å; M492-A496 VanDerWaalsContact O-CB 3.25Å; M492-A496 WeakPolarHBondContact O-CB 3.5Å; M492-A496 PolarHBondContact O-N 3.29Å; A496-T498 VanDerWaalsContact C-N 3.35Å; A496-T498 PolarHBondContact O-N 3.02Å; A496-R499 PolarHBondContact O-N 3.25Å; A496-V500 WeakPolarHBondContact O-CG2 3.33Å; A496-V500 PolarHBondContact O-N 3.05Å; A496-Y576 HydrophobicContact CB-CD1 3.67Å; A496-Y576 HydrophobicContact CB-CE1 4.07Å; A496-F582 HydrophobicContact CB-CE2 4.21Å; A496-F582 HydrophobicContact CB-CZ 4.32Å; A496-I584 HydrophobicContact CB-CD1 3.76Å
497	F	98.9	Very high	98.4	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-45.6	178	-176.8	-85.5	0	0	0	111.8	M464 T483 Q493 K494 E495 R499 V500 L501 I584 I586 L618 I619	M464-F497 HydrophobicContact CE-CD2 4.35Å; T483-F497 WeakPolarHBondContact O-CE2 3.4Å; Q493-F497 VanDerWaalsContact O-CB 3.23Å; Q493-F497 WeakPolarHBondContact O-CB 3.44Å; Q493-F497 PolarHBondContact O-N 3.2Å; K494-F497 PolarHBondContact O-N 2.98Å; E495-F497 PolarHBondContact O-N 3.08Å; F497-R499 VanDerWaalsContact C-N 3.32Å; F497-R499 PolarHBondContact O-N 3.33Å; F497-V500 PolarHBondContact O-N 3.27Å; F497-L501 HydrophobicContact CE1-CD2 4.32Å; F497-L501 WeakPolarHBondContact O-CB 3.34Å; F497-L501 PolarHBondContact O-N 3.33Å; F497-I584 HydrophobicContact CB-CD1 3.88Å; F497-I584 HydrophobicContact CD2-CG2 3.76Å; F497-I584 HydrophobicContact CE2-CG2 4.45Å; F497-I584 HydrophobicContact CG-CG2 4.5Å; F497-I586 HydrophobicContact CD1-CD1 4.37Å; F497-I586 HydrophobicContact CD2-CD1 4.2Å; F497-I586 HydrophobicContact CE1-CD1 3.94Å; F497-I586 HydrophobicContact CE2-CD1 3.76Å; F497-I586 HydrophobicContact CE2-CG1 4.09Å; F497-I586 HydrophobicContact CG-CD1 4.49Å; F497-I586 HydrophobicContact CZ-CD1 3.62Å; F497-I586 HydrophobicContact CZ-CG1 4.28Å; F497-L618 HydrophobicContact CB-CB 3.96Å; F497-L618 HydrophobicContact CD1-CB 3.47Å; F497-L618 VanDerWaalsContact CD1-CB 3.47Å; F497-L618 HydrophobicContact CD2-CB 3.87Å; F497-L618 HydrophobicContact CD2-CD1 3.57Å; F497-L618 HydrophobicContact CD2-CG 4.3Å; F497-L618 HydrophobicContact CE1-CB 3.86Å; F497-L618 HydrophobicContact CE2-CB 4.2Å; F497-L618 HydrophobicContact CE2-CD1 3.68Å; F497-L618 HydrophobicContact CG-CB 3.49Å; F497-L618 VanDerWaalsContact CG-CB 3.49Å; F497-L618 HydrophobicContact CG-CD1 4.09Å; F497-L618 HydrophobicContact CG-CG 4.33Å; F497-L618 HydrophobicContact CZ-CB 4.2Å; F497-L618 HydrophobicContact CZ-CD1 4.3Å; F497-I619 HydrophobicContact CD1-CG1 4.08Å; F497-I619 HydrophobicContact CE1-CD1 4.3Å; F497-I619 HydrophobicContact CE1-CG1 3.65Å
498	T	98.9	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.9	-40.5	-179.7	-56.4	0	0	0	0	111.1	K494 E495 A496 L501 M502 L618 D620 L623 M624	K494-T498 VanDerWaalsContact O-CB 3.27Å; K494-T498 WeakPolarHBondContact O-CB 3.49Å; K494-T498 PolarHBondContact O-N 2.95Å; K494-T498 PolarHBondContact O-OG1 2.82Å; E495-T498 PolarHBondContact O-N 2.78Å; A496-T498 VanDerWaalsContact C-N 3.35Å; A496-T498 PolarHBondContact O-N 3.02Å; T498-L501 PolarHBondContact O-N 3.1Å; T498-M502 HydrophobicContact CG2-CG 4.48Å; T498-M502 HydrophobicContact CG2-SD 4.2Å; T498-M502 WeakPolarHBondContact O-CB 3.43Å; T498-M502 WeakPolarHBondContact O-CG 3.44Å; T498-M502 PolarHBondContact O-N 2.91Å; T498-L618 PolarHBondContact OG1-O 2.93Å; T498-D620 WeakPolarHBondContact CG2-O 3.29Å; T498-D620 PolarHBondContact OG1-N 3.17Å; T498-L623 HydrophobicContact CG2-CB 3.94Å; T498-L623 HydrophobicContact CG2-CD1 4.12Å; T498-M624 HydrophobicContact CG2-CG 3.74Å; T498-M624 HydrophobicContact CG2-SD 4.21Å
499	R	98.9	Very high	98.5	Very high	26 Å²	26	27.2 Å²	27.2	10%	0.098	13%	0.133	C	C	.	.	H	α-helix	trans	-67.3	-38.5	176.9	-71.3	174.3	-179.5	-70.2	-7	112.8	E495 A496 F497 M502 G503 A528 L529 V532	E495-R499 VanDerWaalsContact O-CG 3.32Å; E495-R499 WeakPolarHBondContact O-CG 3.47Å; E495-R499 PolarHBondContact O-N 2.82Å; E495-R499 IonicContact OE1-CZ 2.75Å; E495-R499 VanDerWaalsContact OE1-CZ 3.3Å; E495-R499 IonicContact OE1-NE 3.26Å; E495-R499 PolarHBondContact OE1-NE 3.05Å; E495-R499 IonicContact OE1-NH2 3.83Å; E495-R499 PolarHBondContact OE1-NH2 3.23Å; A496-R499 PolarHBondContact O-N 3.25Å; F497-R499 VanDerWaalsContact C-N 3.32Å; F497-R499 PolarHBondContact O-N 3.33Å; R499-M502 PolarHBondContact O-N 3.37Å; R499-G503 PolarHBondContact O-N 3.41Å; R499-G503 VanDerWaalsContact O-N 3.11Å; R499-A528 HydrophobicContact CB-CB 4.13Å; R499-A528 WeakPolarHBondContact CD-O 3.25Å; R499-A528 HydrophobicContact CG-CB 4.38Å; R499-A528 PolarHBondContact NH1-O 3.49Å; R499-L529 HydrophobicContact CB-CD2 3.85Å; R499-L529 HydrophobicContact CB-CG 4.3Å; R499-V532 VanDerWaalsContact CD-CG2 3.47Å
500	V	98.9	Very high	98.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-47.5	171.7	173.9	0	0	0	0	110.3	A496 F497 M502 G503 N504 L529 P574 I584 I586	A496-V500 WeakPolarHBondContact O-CG2 3.33Å; A496-V500 PolarHBondContact O-N 3.05Å; F497-V500 PolarHBondContact O-N 3.27Å; V500-M502 VanDerWaalsContact C-N 3.35Å; V500-M502 PolarHBondContact O-N 3.04Å; V500-G503 PolarHBondContact O-N 2.75Å; V500-G503 VanDerWaalsContact O-N 3.12Å; V500-N504 PolarHBondContact O-N 3.47Å; V500-N504 VanDerWaalsContact O-N 3.09Å; V500-L529 HydrophobicContact CG2-CD1 4.24Å; V500-L529 HydrophobicContact CG2-CD2 4.19Å; V500-P574 HydrophobicContact CG1-CB 4.17Å; V500-P574 HydrophobicContact CG1-CG 4.08Å; V500-P574 WeakPolarHBondContact CG1-O 3.4Å; V500-P574 WeakPolarHBondContact O-CG 3.34Å; V500-I584 HydrophobicContact CB-CG2 4.13Å; V500-I584 HydrophobicContact CG1-CG2 4.1Å; V500-I584 HydrophobicContact CG2-CB 4.47Å; V500-I584 HydrophobicContact CG2-CG2 4.09Å; V500-I586 HydrophobicContact CB-CD1 4.38Å; V500-I586 HydrophobicContact CG1-CB 4.1Å; V500-I586 HydrophobicContact CG1-CD1 3.98Å; V500-I586 HydrophobicContact CG1-CG1 3.92Å
501	L	98.9	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.3	-42	177.7	179.7	59.3	0	0	0	111.9	F497 T498 G503 N504 I505 I586 Y614 I619 M624 L632	F497-L501 HydrophobicContact CE1-CD2 4.32Å; F497-L501 WeakPolarHBondContact O-CB 3.34Å; F497-L501 PolarHBondContact O-N 3.33Å; T498-L501 PolarHBondContact O-N 3.1Å; L501-G503 VanDerWaalsContact C-N 3.28Å; L501-G503 PolarHBondContact O-N 3.13Å; L501-N504 PolarHBondContact O-N 2.84Å; L501-I505 HydrophobicContact CD1-CD1 3.93Å; L501-I505 HydrophobicContact CD1-CG1 4.04Å; L501-I505 HydrophobicContact CD2-CD1 4.4Å; L501-I505 HydrophobicContact CG-CD1 3.8Å; L501-I505 HydrophobicContact CG-CG1 4.3Å; L501-I505 VanDerWaalsContact O-CG1 3.27Å; L501-I505 WeakPolarHBondContact O-CG1 3.43Å; L501-I505 PolarHBondContact O-N 3.17Å; L501-I586 HydrophobicContact CB-CD1 3.61Å; L501-I586 HydrophobicContact CD1-CD1 4.13Å; L501-I586 HydrophobicContact CD1-CG2 4.37Å; L501-I586 HydrophobicContact CG-CD1 4.41Å; L501-Y614 HydrophobicContact CD1-CD1 4.45Å; L501-Y614 HydrophobicContact CD1-CD2 3.63Å; L501-Y614 HydrophobicContact CD1-CE1 4.33Å; L501-Y614 HydrophobicContact CD1-CE2 3.47Å; L501-Y614 VanDerWaalsContact CD1-CE2 3.47Å; L501-Y614 HydrophobicContact CD1-CG 4.13Å; L501-Y614 HydrophobicContact CD2-CD2 4.31Å; L501-I619 HydrophobicContact CD2-CD1 3.63Å; L501-I619 HydrophobicContact CD2-CG1 3.81Å; L501-M624 HydrophobicContact CD2-CE 4.21Å; L501-M624 HydrophobicContact CG-CE 4.48Å; L501-L632 HydrophobicContact CD2-CD2 4.4Å
502	M	98.9	Very high	98.5	Very high	17 Å²	17	22.5 Å²	22.5	8%	0.084	10%	0.104	C	C	.	.	H	α-helix	trans	-57.1	-43.3	174.4	-72.5	165.4	71.3	0	0	111.3	T498 R499 V500 I505 E506 A528 L623 M624	T498-M502 HydrophobicContact CG2-CG 4.48Å; T498-M502 HydrophobicContact CG2-SD 4.2Å; T498-M502 WeakPolarHBondContact O-CB 3.43Å; T498-M502 WeakPolarHBondContact O-CG 3.44Å; T498-M502 PolarHBondContact O-N 2.91Å; R499-M502 PolarHBondContact O-N 3.37Å; V500-M502 VanDerWaalsContact C-N 3.35Å; V500-M502 PolarHBondContact O-N 3.04Å; M502-I505 PolarHBondContact O-N 2.99Å; M502-E506 WeakPolarHBondContact O-CB 3.22Å; M502-E506 VanDerWaalsContact O-CG 3.31Å; M502-E506 WeakPolarHBondContact O-CG 3.46Å; M502-E506 PolarHBondContact O-N 3.07Å; M502-A528 HydrophobicContact CB-CB 3.96Å; M502-A528 HydrophobicContact CE-CB 4.16Å; M502-A528 HydrophobicContact SD-CB 4.38Å; M502-L623 HydrophobicContact SD-CB 4.35Å; M502-M624 HydrophobicContact CG-CG 4.33Å
503	G	98.6	Very high	98.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60	-46.1	175.6	0	0	0	0	0	113.1	R499 V500 L501 E506 I507	R499-G503 PolarHBondContact O-N 3.41Å; R499-G503 VanDerWaalsContact O-N 3.11Å; V500-G503 PolarHBondContact O-N 2.75Å; V500-G503 VanDerWaalsContact O-N 3.12Å; L501-G503 VanDerWaalsContact C-N 3.28Å; L501-G503 PolarHBondContact O-N 3.13Å; G503-E506 PolarHBondContact O-N 3.49Å; G503-I507 PolarHBondContact O-N 3.48Å
504	N	98.8	Very high	98.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61	-47.6	177.2	170.6	-67.1	0	0	0	110.8	V500 L501 E506 I507 S508 I572 P574 I586 D588	V500-N504 PolarHBondContact O-N 3.47Å; V500-N504 VanDerWaalsContact O-N 3.09Å; L501-N504 PolarHBondContact O-N 2.84Å; N504-E506 PolarHBondContact O-N 2.87Å; N504-I507 PolarHBondContact O-N 3.15Å; N504-S508 WeakPolarHBondContact O-CB 3.4Å; N504-S508 PolarHBondContact O-N 2.98Å; N504-S508 PolarHBondContact O-OG 3.02Å; N504-I572 HydrophobicContact CB-CG2 4.33Å; N504-I572 PolarHBondContact ND2-O 3.37Å; N504-I572 VanDerWaalsContact ND2-O 3.08Å; N504-P574 HydrophobicContact CB-CG 3.69Å; N504-I586 HydrophobicContact CB-CG2 4.38Å; N504-I586 PolarHBondContact ND2-O 3.36Å; N504-D588 PolarHBondContact ND2-OD2 3.33Å
505	I	98.8	Very high	98.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.8	-42.8	179.7	-65.8	176.1	0	0	0	111.4	L501 M502 I507 S508 R509 M624 Q628 W631	L501-I505 HydrophobicContact CD1-CD1 3.93Å; L501-I505 HydrophobicContact CD1-CG1 4.04Å; L501-I505 HydrophobicContact CD2-CD1 4.4Å; L501-I505 HydrophobicContact CG-CD1 3.8Å; L501-I505 HydrophobicContact CG-CG1 4.3Å; L501-I505 VanDerWaalsContact O-CG1 3.27Å; L501-I505 WeakPolarHBondContact O-CG1 3.43Å; L501-I505 PolarHBondContact O-N 3.17Å; M502-I505 PolarHBondContact O-N 2.99Å; I505-I507 VanDerWaalsContact C-N 3.35Å; I505-I507 PolarHBondContact O-N 3.21Å; I505-S508 PolarHBondContact O-N 3.05Å; I505-R509 VanDerWaalsContact O-CG 3.28Å; I505-R509 WeakPolarHBondContact O-CG 3.23Å; I505-R509 PolarHBondContact O-N 3.42Å; I505-M624 HydrophobicContact CD1-CE 3.6Å; I505-Q628 HydrophobicContact CD1-CB 4.48Å; I505-Q628 HydrophobicContact CG2-CB 4.14Å; I505-Q628 HydrophobicContact CG2-CG 3.86Å; I505-W631 HydrophobicContact CB-CE3 4.26Å; I505-W631 HydrophobicContact CD1-CE3 3.85Å; I505-W631 HydrophobicContact CD1-CZ3 4.13Å; I505-W631 HydrophobicContact CG1-CD2 4.29Å; I505-W631 HydrophobicContact CG1-CE3 3.55Å; I505-W631 HydrophobicContact CG1-CH2 4.37Å; I505-W631 HydrophobicContact CG1-CZ3 3.61Å; I505-W631 HydrophobicContact CG2-CB 4.1Å; I505-W631 HydrophobicContact CG2-CD2 3.87Å; I505-W631 HydrophobicContact CG2-CE3 3.92Å; I505-W631 HydrophobicContact CG2-CG 3.96Å
506	E	98.4	Very high	98	Very high	22 Å²	22	21.8 Å²	21.8	10%	0.103	13%	0.126	C	C	.	.	H	α-helix	trans	-61.8	-43	-179.7	-75	-49.7	136.2	0	0	111.5	M502 G503 N504 R509 T510 Q628	M502-E506 WeakPolarHBondContact O-CB 3.22Å; M502-E506 VanDerWaalsContact O-CG 3.31Å; M502-E506 WeakPolarHBondContact O-CG 3.46Å; M502-E506 PolarHBondContact O-N 3.07Å; G503-E506 PolarHBondContact O-N 3.49Å; N504-E506 PolarHBondContact O-N 2.87Å; E506-R509 IonicContact OE1-CZ 2.87Å; E506-R509 VanDerWaalsContact OE1-CZ 3.24Å; E506-R509 IonicContact OE1-NE 3.49Å; E506-R509 IonicContact OE1-NH1 3.58Å; E506-R509 IonicContact OE1-NH2 3.74Å; E506-R509 PolarHBondContact OE1-NH2 2.95Å; E506-R509 VanDerWaalsContact OE1-NH2 3.08Å; E506-R509 IonicContact OE2-CZ 3.1Å; E506-R509 VanDerWaalsContact OE2-CZ 3.27Å; E506-R509 IonicContact OE2-NE 3.55Å; E506-R509 PolarHBondContact OE2-NE 3.42Å; E506-R509 VanDerWaalsContact OE2-NE 3.1Å; E506-R509 IonicContact OE2-NH2 3.54Å; E506-R509 PolarHBondContact OE2-NH2 3.19Å; E506-T510 PolarHBondContact O-N 3.36Å; E506-T510 PolarHBondContact O-OG1 3.5Å; E506-Q628 VanDerWaalsContact OE1-CG 3.32Å; E506-Q628 WeakPolarHBondContact OE1-CG 3.38Å; E506-Q628 PolarHBondContact OE1-NE2 2.87Å
507	I	98.3	Very high	97.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.1	-52.1	174.4	-64	174.2	0	0	0	110	G503 N504 I505 R509 T510 L524 T540 F557 I572 F606	G503-I507 PolarHBondContact O-N 3.48Å; N504-I507 PolarHBondContact O-N 3.15Å; I505-I507 VanDerWaalsContact C-N 3.35Å; I505-I507 PolarHBondContact O-N 3.21Å; I507-R509 PolarHBondContact O-N 2.94Å; I507-T510 WeakPolarHBondContact O-CB 3.34Å; I507-T510 PolarHBondContact O-N 3.46Å; I507-L524 HydrophobicContact CG1-CB 3.77Å; I507-T540 HydrophobicContact CD1-CG2 3.26Å; I507-F557 HydrophobicContact CD1-CE1 4.35Å; I507-F557 HydrophobicContact CG2-CE1 4.06Å; I507-F557 HydrophobicContact CG2-CZ 3.98Å; I507-I572 HydrophobicContact CB-CD1 4.09Å; I507-I572 HydrophobicContact CB-CG2 4.02Å; I507-I572 HydrophobicContact CD1-CG2 4.15Å; I507-I572 HydrophobicContact CG2-CD1 3.47Å; I507-I572 VanDerWaalsContact CG2-CD1 3.47Å; I507-I572 HydrophobicContact CG2-CG1 3.92Å; I507-I572 HydrophobicContact CG2-CG2 4.18Å; I507-F606 HydrophobicContact CG2-CD2 4.41Å; I507-F606 HydrophobicContact CG2-CE2 3.9Å; I507-F606 HydrophobicContact CG2-CZ 4.33Å; I507-F606 WeakPolarHBondContact O-CD2 3.45Å; I507-F606 WeakPolarHBondContact O-CE2 3.21Å
508	S	98.3	Very high	97.8	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-55.5	-30.1	-175.2	-68	0	0	0	0	114	N504 I505 I572	N504-S508 WeakPolarHBondContact O-CB 3.4Å; N504-S508 PolarHBondContact O-N 2.98Å; N504-S508 PolarHBondContact O-OG 3.02Å; I505-S508 PolarHBondContact O-N 3.05Å; S508-I572 WeakPolarHBondContact OG-CD1 3.45Å
509	R	96.9	Very high	97.7	Very high	83 Å²	83	28 Å²	28	31%	0.313	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-1.2	179.3	79.3	-175.7	-161	170.3	2.1	114.7	I505 E506 I507 I511	I505-R509 VanDerWaalsContact O-CG 3.28Å; I505-R509 WeakPolarHBondContact O-CG 3.23Å; I505-R509 PolarHBondContact O-N 3.42Å; E506-R509 IonicContact OE1-CZ 2.87Å; E506-R509 VanDerWaalsContact OE1-CZ 3.24Å; E506-R509 IonicContact OE1-NE 3.49Å; E506-R509 IonicContact OE1-NH1 3.58Å; E506-R509 IonicContact OE1-NH2 3.74Å; E506-R509 PolarHBondContact OE1-NH2 2.95Å; E506-R509 VanDerWaalsContact OE1-NH2 3.08Å; E506-R509 IonicContact OE2-CZ 3.1Å; E506-R509 VanDerWaalsContact OE2-CZ 3.27Å; E506-R509 IonicContact OE2-NE 3.55Å; E506-R509 PolarHBondContact OE2-NE 3.42Å; E506-R509 VanDerWaalsContact OE2-NE 3.1Å; E506-R509 IonicContact OE2-NH2 3.54Å; E506-R509 PolarHBondContact OE2-NH2 3.19Å; I507-R509 PolarHBondContact O-N 2.94Å; R509-I511 PolarHBondContact O-N 3.49Å
510	T	97.7	Very high	97.6	Very high	28 Å²	28	32.4 Å²	32.4	17%	0.172	18%	0.183	C	C	.	.			trans	-69.8	129.2	-174.3	-71.7	0	0	0	0	110.6	E506 I507 F512 M521 L524 T605	E506-T510 PolarHBondContact O-N 3.36Å; E506-T510 PolarHBondContact O-OG1 3.5Å; I507-T510 WeakPolarHBondContact O-CB 3.34Å; I507-T510 PolarHBondContact O-N 3.46Å; T510-F512 HydrophobicContact CG2-CB 4.42Å; T510-F512 HydrophobicContact CG2-CD1 4.14Å; T510-F512 WeakPolarHBondContact O-CD1 3.44Å; T510-M521 HydrophobicContact CG2-SD 4.05Å; T510-L524 HydrophobicContact CG2-CD1 4.02Å; T510-L524 WeakPolarHBondContact OG1-CD1 3.47Å; T510-T605 PolarHBondContact O-OG1 2.89Å
511	I	98.1	Very high	97.5	Very high	91 Å²	91	32.9 Å²	32.9	47%	0.467	19%	0.186	S	C	.	.			trans	-99.1	124.3	170.2	-62.7	172.8	0	0	0	108.2	R509 A595 T597 Y603 L604	R509-I511 PolarHBondContact O-N 3.49Å; I511-A595 HydrophobicContact CG1-CB 4.23Å; I511-A595 HydrophobicContact CG2-CB 3.76Å; I511-T597 HydrophobicContact CG2-CG2 3.83Å; I511-Y603 HydrophobicContact CG2-CD1 3.82Å; I511-Y603 HydrophobicContact CG2-CG 4.28Å; I511-L604 WeakPolarHBondContact CA-O 3.3Å
512	F	97.9	Very high	97.3	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	153	-172.4	54.7	-86.5	0	0	0	111.9	T510 M521 F564 I592 Y603 L604 F606	T510-F512 HydrophobicContact CG2-CB 4.42Å; T510-F512 HydrophobicContact CG2-CD1 4.14Å; T510-F512 WeakPolarHBondContact O-CD1 3.44Å; F512-M521 HydrophobicContact CB-SD 4.05Å; F512-M521 HydrophobicContact CD1-CE 4.07Å; F512-M521 HydrophobicContact CD1-SD 3.68Å; F512-M521 HydrophobicContact CD2-CE 3.88Å; F512-M521 HydrophobicContact CD2-SD 4.38Å; F512-M521 HydrophobicContact CE1-CE 4.22Å; F512-M521 HydrophobicContact CE1-SD 4.21Å; F512-M521 HydrophobicContact CE2-CE 4.01Å; F512-M521 HydrophobicContact CG-CE 3.9Å; F512-M521 HydrophobicContact CG-SD 3.78Å; F512-M521 HydrophobicContact CZ-CE 4.18Å; F512-F564 HydrophobicContact CE2-CB 4.01Å; F512-F564 HydrophobicContact CE2-CD2 4.15Å; F512-F564 HydrophobicContact CZ-CB 4.43Å; F512-F564 HydrophobicContact CZ-CD2 4.21Å; F512-I592 HydrophobicContact CZ-CG2 4.29Å; F512-Y603 CarbonylContact O-C 3.46Å; F512-Y603 VanDerWaalsContact O-CA 3.29Å; F512-Y603 WeakPolarHBondContact O-CA 3.36Å; F512-Y603 WeakPolarHBondContact O-CD1 3.44Å; F512-L604 HydrophobicContact CD2-CB 4.09Å; F512-L604 HydrophobicContact CE1-CB 4.35Å; F512-L604 HydrophobicContact CE2-CB 3.57Å; F512-L604 HydrophobicContact CE2-CD1 4.01Å; F512-L604 HydrophobicContact CE2-CG 4.38Å; F512-L604 HydrophobicContact CZ-CB 3.71Å; F512-L604 PolarHBondContact N-O 2.88Å; F512-L604 PolarHBondContact O-N 3.13Å; F512-F606 HydrophobicContact CD1-CE2 4.11Å; F512-F606 HydrophobicContact CD1-CZ 4.48Å; F512-F606 AromaticContact CE1-CD2 3.9Å; F512-F606 HydrophobicContact CE1-CD2 3.9Å; F512-F606 HydrophobicContact CE1-CE1 4.19Å; F512-F606 AromaticContact CE1-CE2 3.34Å; F512-F606 HydrophobicContact CE1-CE2 3.34Å; F512-F606 AromaticContact CE1-CZ 3.5Å; F512-F606 HydrophobicContact CE1-CZ 3.5Å; F512-F606 HydrophobicContact CZ-CE1 4.1Å; F512-F606 HydrophobicContact CZ-CE2 4.06Å; F512-F606 AromaticContact CZ-CZ 3.73Å; F512-F606 HydrophobicContact CZ-CZ 3.73Å
513	P	97.1	Very high	97.2	Very high	63 Å²	63	38.1 Å²	38.1	41%	0.409	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	144.6	177.8	26.7	-31.5	0	0	0	110.9	T516 Y603	P513-T516 WeakPolarHBondContact CG-OG1 3.43Å; P513-T516 WeakPolarHBondContact O-CB 3.38Å; P513-T516 PolarHBondContact O-N 3.21Å; P513-T516 PolarHBondContact O-OG1 3.35Å; P513-Y603 HydrophobicContact CB-CD1 4.44Å; P513-Y603 HydrophobicContact CB-CE1 4.15Å
514	S	95.8	Very high	97.2	Very high	48 Å²	48	40.5 Å²	40.5	34%	0.336	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	142.4	172.3	-175.7	0	0	0	0	111	N602	S514-N602 WeakPolarHBondContact CB-OD1 3.26Å; S514-N602 PolarHBondContact N-O 2.98Å
515	G	93.6	Very high	97.1	Very high	47 Å²	47	40.5 Å²	40.5	49%	0.485	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	2.8	-172.5	0	0	0	0	0	114.7	P563	G515-P563 WeakPolarHBondContact O-CB 3.41Å
516	T	97.4	Very high	97.1	Very high	23 Å²	23	41.6 Å²	41.6	14%	0.141	23%	0.228	C	C	.	.			trans	-75.1	133	170.9	-54.5	0	0	0	0	110.6	P513 N520 M521 F564	P513-T516 WeakPolarHBondContact CG-OG1 3.43Å; P513-T516 WeakPolarHBondContact O-CB 3.38Å; P513-T516 PolarHBondContact O-N 3.21Å; P513-T516 PolarHBondContact O-OG1 3.35Å; T516-N520 HydrophobicContact CG2-CB 4.09Å; T516-M521 HydrophobicContact CG2-CE 3.79Å; T516-M521 HydrophobicContact CG2-CG 4.5Å; T516-F564 PolarHBondContact O-N 2.78Å
517	K	97.1	Very high	97.1	Very high	76 Å²	76	45.3 Å²	45.3	33%	0.33	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-83.9	146.8	171.2	-64.6	-172.8	172.2	-156.3	0	111	V519 N520 N561 P563	K517-V519 VanDerWaalsContact C-N 3.25Å; K517-V519 HydrophobicContact CB-CG1 3.96Å; K517-V519 PolarHBondContact O-N 3.22Å; K517-N520 WeakPolarHBondContact O-CB 3.28Å; K517-N520 PolarHBondContact O-N 3.19Å; K517-N561 WeakPolarHBondContact CE-O 3.46Å; K517-N561 PolarHBondContact NZ-O 3.19Å; K517-P563 HydrophobicContact CG-CB 4.36Å; K517-P563 HydrophobicContact CG-CG 3.92Å
518	G	96.7	Very high	97.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-57.7	-35.1	178.8	0	0	0	0	0	114	N520 M521 E522 G556 F557	G518-N520 PolarHBondContact O-N 3.48Å; G518-M521 WeakPolarHBondContact O-CA 3.4Å; G518-M521 PolarHBondContact O-N 2.88Å; G518-E522 PolarHBondContact O-N 3.41Å; G518-G556 WeakPolarHBondContact CA-O 3.42Å; G518-F557 VanDerWaalsContact O-CD1 3.22Å; G518-F557 WeakPolarHBondContact O-CD1 3.3Å
519	V	96.7	Very high	97.1	Very high	55 Å²	55	45.4 Å²	45.4	33%	0.333	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-54.6	-27	175.6	69.8	0	0	0	0	113.9	K517 M521 E522 F557	K517-V519 VanDerWaalsContact C-N 3.25Å; K517-V519 HydrophobicContact CB-CG1 3.96Å; K517-V519 PolarHBondContact O-N 3.22Å; V519-M521 PolarHBondContact O-N 3.45Å; V519-E522 WeakPolarHBondContact O-CB 3.34Å; V519-F557 WeakPolarHBondContact CA-O 3.18Å; V519-F557 VanDerWaalsContact CB-O 3.28Å; V519-F557 WeakPolarHBondContact CB-O 3.34Å; V519-F557 PolarHBondContact N-O 3.11Å
520	N	97.1	Very high	97.2	Very high	119 Å²	119	46.7 Å²	46.7	64%	0.636	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-76.9	-10.5	177.4	-62.6	-17.3	0	0	0	113.2	T516 K517 G518	T516-N520 HydrophobicContact CG2-CB 4.09Å; K517-N520 WeakPolarHBondContact O-CB 3.28Å; K517-N520 PolarHBondContact O-N 3.19Å; G518-N520 PolarHBondContact O-N 3.48Å
521	M	96.1	Very high	97.2	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.049	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-6.3	-179.1	-68	-176.3	-86.6	0	0	112.9	T510 F512 T516 G518 V519 M523 L524 F557 F564 F606	T510-M521 HydrophobicContact CG2-SD 4.05Å; F512-M521 HydrophobicContact CB-SD 4.05Å; F512-M521 HydrophobicContact CD1-CE 4.07Å; F512-M521 HydrophobicContact CD1-SD 3.68Å; F512-M521 HydrophobicContact CD2-CE 3.88Å; F512-M521 HydrophobicContact CD2-SD 4.38Å; F512-M521 HydrophobicContact CE1-CE 4.22Å; F512-M521 HydrophobicContact CE1-SD 4.21Å; F512-M521 HydrophobicContact CE2-CE 4.01Å; F512-M521 HydrophobicContact CG-CE 3.9Å; F512-M521 HydrophobicContact CG-SD 3.78Å; F512-M521 HydrophobicContact CZ-CE 4.18Å; T516-M521 HydrophobicContact CG2-CE 3.79Å; T516-M521 HydrophobicContact CG2-CG 4.5Å; G518-M521 WeakPolarHBondContact O-CA 3.4Å; G518-M521 PolarHBondContact O-N 2.88Å; V519-M521 PolarHBondContact O-N 3.45Å; M521-M523 VanDerWaalsContact C-N 3.28Å; M521-M523 PolarHBondContact O-N 3.45Å; M521-L524 HydrophobicContact CB-CD1 4.19Å; M521-L524 HydrophobicContact CG-CD1 4.37Å; M521-L524 VanDerWaalsContact O-CB 3.26Å; M521-L524 WeakPolarHBondContact O-CB 3.47Å; M521-L524 WeakPolarHBondContact O-CG 3.19Å; M521-L524 PolarHBondContact O-N 3.2Å; M521-F557 HydrophobicContact CB-CE1 4.42Å; M521-F564 HydrophobicContact CE-CD2 3.54Å; M521-F564 HydrophobicContact CE-CE2 3.65Å; M521-F606 HydrophobicContact CE-CZ 4.36Å; M521-F606 HydrophobicContact SD-CE2 4.49Å
522	E	95.4	Very high	97.2	Very high	35 Å²	35	49.3 Å²	49.3	16%	0.164	26%	0.259	C	S	.	.	H	α-helix	trans	-49.4	-45.2	-179.7	-155.5	-71.2	134	0	0	112.6	G518 V519 L524 G525 R526 T540	G518-E522 PolarHBondContact O-N 3.41Å; V519-E522 WeakPolarHBondContact O-CB 3.34Å; E522-L524 PolarHBondContact O-N 2.65Å; E522-L524 VanDerWaalsContact O-N 3.1Å; E522-G525 PolarHBondContact O-N 3.03Å; E522-G525 VanDerWaalsContact O-N 3.12Å; E522-R526 IonicContact OE1-CZ 3.39Å; E522-R526 IonicContact OE1-NE 2.8Å; E522-R526 PolarHBondContact OE1-NE 2.69Å; E522-R526 IonicContact OE1-NH2 3.26Å; E522-R526 PolarHBondContact OE1-NH2 3.16Å; E522-R526 WeakPolarHBondContact OE2-CD 3.33Å; E522-R526 IonicContact OE2-CZ 2.69Å; E522-R526 IonicContact OE2-NE 2.69Å; E522-R526 PolarHBondContact OE2-NE 2.94Å; E522-T540 PolarHBondContact OE1-OG1 3.19Å
523	M	96.8	Very high	97.2	Very high	92 Å²	92	52.3 Å²	52.3	45%	0.453	29%	0.292	S	S	.	.	H	α-helix	trans	-51.3	-34.9	174.8	170.9	72.2	77.4	0	0	113.5	M521 G525 R526 R527 W530	M521-M523 VanDerWaalsContact C-N 3.28Å; M521-M523 PolarHBondContact O-N 3.45Å; M523-G525 VanDerWaalsContact C-N 3.29Å; M523-G525 PolarHBondContact O-N 2.91Å; M523-R526 PolarHBondContact O-N 3.37Å; M523-R527 WeakPolarHBondContact O-CB 3.45Å; M523-R527 PolarHBondContact O-N 2.76Å; M523-W530 HydrophobicContact CE-CE3 3.97Å; M523-W530 HydrophobicContact CE-CH2 3.84Å; M523-W530 HydrophobicContact CE-CZ3 3.16Å; M523-W530 HydrophobicContact SD-CD2 4.42Å; M523-W530 HydrophobicContact SD-CE3 3.44Å; M523-W530 HydrophobicContact SD-CH2 3.88Å; M523-W530 HydrophobicContact SD-CZ3 3.17Å; M523-W530 WeakPolarHBondContact SD-CZ3 3.29Å
524	L	97.9	Very high	97.3	Very high	50 Å²	50	50.8 Å²	50.8	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-65.1	-36.1	-176.1	-60.4	175.6	0	0	0	111.7	I507 T510 M521 E522 R526	I507-L524 HydrophobicContact CG1-CB 3.77Å; T510-L524 HydrophobicContact CG2-CD1 4.02Å; T510-L524 WeakPolarHBondContact OG1-CD1 3.47Å; M521-L524 HydrophobicContact CB-CD1 4.19Å; M521-L524 HydrophobicContact CG-CD1 4.37Å; M521-L524 VanDerWaalsContact O-CB 3.26Å; M521-L524 WeakPolarHBondContact O-CB 3.47Å; M521-L524 WeakPolarHBondContact O-CG 3.19Å; M521-L524 PolarHBondContact O-N 3.2Å; E522-L524 PolarHBondContact O-N 2.65Å; E522-L524 VanDerWaalsContact O-N 3.1Å; L524-R526 PolarHBondContact O-N 2.94Å
525	G	97.5	Very high	97.3	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-72.1	-17.9	174.9	0	0	0	0	0	113.4	E522 M523	E522-G525 PolarHBondContact O-N 3.03Å; E522-G525 VanDerWaalsContact O-N 3.12Å; M523-G525 VanDerWaalsContact C-N 3.29Å; M523-G525 PolarHBondContact O-N 2.91Å
526	R	98.3	Very high	97.3	Very high	22 Å²	22	50.3 Å²	50.3	8%	0.083	26%	0.262	C	S	.	.	H	α-helix	trans	-104.4	-27	-176.9	-63.6	-168.7	-175.9	-73.6	-18.6	114.7	E522 M523 L524 A528 L529 W530 N535 Y536 H538	E522-R526 IonicContact OE1-CZ 3.39Å; E522-R526 IonicContact OE1-NE 2.8Å; E522-R526 PolarHBondContact OE1-NE 2.69Å; E522-R526 IonicContact OE1-NH2 3.26Å; E522-R526 PolarHBondContact OE1-NH2 3.16Å; E522-R526 WeakPolarHBondContact OE2-CD 3.33Å; E522-R526 IonicContact OE2-CZ 2.69Å; E522-R526 IonicContact OE2-NE 2.69Å; E522-R526 PolarHBondContact OE2-NE 2.94Å; M523-R526 PolarHBondContact O-N 3.37Å; L524-R526 PolarHBondContact O-N 2.94Å; R526-A528 VanDerWaalsContact C-N 3.32Å; R526-A528 PolarHBondContact O-N 2.9Å; R526-L529 WeakPolarHBondContact O-CB 3.28Å; R526-L529 PolarHBondContact O-N 3.03Å; R526-W530 HydrophobicContact CB-CD2 4.08Å; R526-W530 HydrophobicContact CB-CG 4.33Å; R526-W530 HydrophobicContact CB-CZ2 3.95Å; R526-W530 HydrophobicContact CG-CZ2 4.26Å; R526-W530 PolarHBondContact O-N 3.29Å; R526-N535 PolarHBondContact NH1-OD1 3.16Å; R526-Y536 HydrophobicContact CG-CE1 3.65Å; R526-Y536 PolarHBondContact NH1-O 2.95Å; R526-Y536 VanDerWaalsContact NH2-CE2 3.34Å; R526-H538 PolarHBondContact NH2-O 3Å
527	R	98.3	Very high	96.8	Very high	101 Å²	101	53.3 Å²	53.3	38%	0.381	30%	0.298	S	S	.	.	H	α-helix	trans	-49.5	-49.3	-169	-177	-179.8	69.5	95.2	-7.8	113	M523 L529 W530 E531	M523-R527 WeakPolarHBondContact O-CB 3.45Å; M523-R527 PolarHBondContact O-N 2.76Å; R527-L529 VanDerWaalsContact C-N 3.28Å; R527-L529 PolarHBondContact O-N 3.41Å; R527-W530 PolarHBondContact O-N 3.41Å; R527-E531 IonicContact CZ-OE1 3.79Å; R527-E531 IonicContact NH1-OE1 3.24Å; R527-E531 PolarHBondContact NH1-OE1 3.47Å; R527-E531 WeakPolarHBondContact O-CG 3.46Å; R527-E531 PolarHBondContact O-N 2.8Å
528	A	98.6	Very high	96.4	Very high	3 Å²	3	51.4 Å²	51.4	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-64	-31.5	-177.7	0	0	0	0	0	113.1	R499 M502 R526	R499-A528 HydrophobicContact CB-CB 4.13Å; R499-A528 WeakPolarHBondContact CD-O 3.25Å; R499-A528 HydrophobicContact CG-CB 4.38Å; R499-A528 PolarHBondContact NH1-O 3.49Å; M502-A528 HydrophobicContact CB-CB 3.96Å; M502-A528 HydrophobicContact CE-CB 4.16Å; M502-A528 HydrophobicContact SD-CB 4.38Å; R526-A528 VanDerWaalsContact C-N 3.32Å; R526-A528 PolarHBondContact O-N 2.9Å
529	L	98.8	Very high	96.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-75.4	-42	173.8	-69.7	167.6	0	0	0	111.2	R499 V500 R526 R527 E531 V532 G533 L534 Y536 G575	R499-L529 HydrophobicContact CB-CD2 3.85Å; R499-L529 HydrophobicContact CB-CG 4.3Å; V500-L529 HydrophobicContact CG2-CD1 4.24Å; V500-L529 HydrophobicContact CG2-CD2 4.19Å; R526-L529 WeakPolarHBondContact O-CB 3.28Å; R526-L529 PolarHBondContact O-N 3.03Å; R527-L529 VanDerWaalsContact C-N 3.28Å; R527-L529 PolarHBondContact O-N 3.41Å; L529-E531 VanDerWaalsContact C-N 3.28Å; L529-E531 PolarHBondContact O-N 2.88Å; L529-V532 CarbonylContact O-C 3.21Å; L529-V532 VanDerWaalsContact O-CG2 3.23Å; L529-V532 WeakPolarHBondContact O-CG2 3.41Å; L529-V532 PolarHBondContact O-N 2.77Å; L529-V532 VanDerWaalsContact O-N 3.08Å; L529-G533 PolarHBondContact O-N 2.82Å; L529-L534 CarbonylContact C-O 3.52Å; L529-L534 VanDerWaalsContact C-O 3.28Å; L529-L534 HydrophobicContact CB-CB 4.01Å; L529-L534 WeakPolarHBondContact CB-O 3.49Å; L529-L534 HydrophobicContact CD2-CB 3.92Å; L529-L534 HydrophobicContact CD2-CD1 4.15Å; L529-L534 PolarHBondContact O-N 2.95Å; L529-Y536 HydrophobicContact CD1-CD1 3.73Å; L529-Y536 HydrophobicContact CD1-CE1 4.14Å; L529-G575 VanDerWaalsContact CD1-O 3.27Å; L529-G575 WeakPolarHBondContact CD1-O 3.41Å
530	W	98.6	Very high	96.1	Very high	110 Å²	110	50 Å²	50	42%	0.417	29%	0.287	S	S	.	.	H	α-helix	trans	-63	-33.8	-179.2	-71.8	6.6	0	0	0	113.1	M523 R526 R527 V532 G533 L534 N535	M523-W530 HydrophobicContact CE-CE3 3.97Å; M523-W530 HydrophobicContact CE-CH2 3.84Å; M523-W530 HydrophobicContact CE-CZ3 3.16Å; M523-W530 HydrophobicContact SD-CD2 4.42Å; M523-W530 HydrophobicContact SD-CE3 3.44Å; M523-W530 HydrophobicContact SD-CH2 3.88Å; M523-W530 HydrophobicContact SD-CZ3 3.17Å; M523-W530 WeakPolarHBondContact SD-CZ3 3.29Å; R526-W530 HydrophobicContact CB-CD2 4.08Å; R526-W530 HydrophobicContact CB-CG 4.33Å; R526-W530 HydrophobicContact CB-CZ2 3.95Å; R526-W530 HydrophobicContact CG-CZ2 4.26Å; R526-W530 PolarHBondContact O-N 3.29Å; R527-W530 PolarHBondContact O-N 3.41Å; W530-V532 PolarHBondContact O-N 2.85Å; W530-G533 PolarHBondContact O-N 3.3Å; W530-L534 VanDerWaalsContact CD1-O 3.26Å; W530-L534 PolarHBondContact N-O 2.67Å; W530-N535 PolarHBondContact NE1-OD1 2.78Å
531	E	98.3	Very high	96.1	Very high	112 Å²	112	44.3 Å²	44.3	52%	0.523	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.9	175.1	-75.9	170.2	-173.4	0	0	113.4	R527 L529	R527-E531 IonicContact CZ-OE1 3.79Å; R527-E531 IonicContact NH1-OE1 3.24Å; R527-E531 PolarHBondContact NH1-OE1 3.47Å; R527-E531 WeakPolarHBondContact O-CG 3.46Å; R527-E531 PolarHBondContact O-N 2.8Å; L529-E531 VanDerWaalsContact C-N 3.28Å; L529-E531 PolarHBondContact O-N 2.88Å
532	V	98.3	Very high	96.2	Very high	61 Å²	61	44.5 Å²	44.5	37%	0.37	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	16	175.2	-69.5	0	0	0	0	113.5	R499 L529 W530 L534	R499-V532 VanDerWaalsContact CD-CG2 3.47Å; L529-V532 CarbonylContact O-C 3.21Å; L529-V532 VanDerWaalsContact O-CG2 3.23Å; L529-V532 WeakPolarHBondContact O-CG2 3.41Å; L529-V532 PolarHBondContact O-N 2.77Å; L529-V532 VanDerWaalsContact O-N 3.08Å; W530-V532 PolarHBondContact O-N 2.85Å; V532-L534 VanDerWaalsContact C-N 3.33Å; V532-L534 HydrophobicContact CG2-CB 4.45Å; V532-L534 HydrophobicContact CG2-CD1 4.02Å; V532-L534 HydrophobicContact CG2-CG 3.91Å; V532-L534 PolarHBondContact O-N 3.11Å
533	G	97.9	Very high	96.3	Very high	70 Å²	70	42.8 Å²	42.8	72%	0.722	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	19.3	177	0	0	0	0	0	115	L529 W530	L529-G533 PolarHBondContact O-N 2.82Å; W530-G533 PolarHBondContact O-N 3.3Å
534	L	97.9	Very high	96.3	Very high	31 Å²	31	38.4 Å²	38.4	16%	0.162	23%	0.228	C	C	.	.			trans	-97.9	159.7	174.6	-56.6	-176	0	0	0	111.1	M492 L529 W530 V532 Y576	M492-L534 HydrophobicContact CE-CD1 3.97Å; M492-L534 HydrophobicContact CE-CD2 4.45Å; L529-L534 CarbonylContact C-O 3.52Å; L529-L534 VanDerWaalsContact C-O 3.28Å; L529-L534 HydrophobicContact CB-CB 4.01Å; L529-L534 WeakPolarHBondContact CB-O 3.49Å; L529-L534 HydrophobicContact CD2-CB 3.92Å; L529-L534 HydrophobicContact CD2-CD1 4.15Å; L529-L534 PolarHBondContact O-N 2.95Å; W530-L534 VanDerWaalsContact CD1-O 3.26Å; W530-L534 PolarHBondContact N-O 2.67Å; V532-L534 VanDerWaalsContact C-N 3.33Å; V532-L534 HydrophobicContact CG2-CB 4.45Å; V532-L534 HydrophobicContact CG2-CD1 4.02Å; V532-L534 HydrophobicContact CG2-CG 3.91Å; V532-L534 PolarHBondContact O-N 3.11Å; L534-Y576 HydrophobicContact CB-CD2 4.01Å; L534-Y576 HydrophobicContact CB-CE2 3.88Å; L534-Y576 HydrophobicContact CD1-CD2 4.27Å; L534-Y576 HydrophobicContact CD1-CE1 4.24Å; L534-Y576 HydrophobicContact CD1-CE2 3.99Å; L534-Y576 HydrophobicContact CD2-CE2 3.66Å; L534-Y576 HydrophobicContact CG-CE2 4.03Å
535	N	96.8	Very high	96.2	Very high	79 Å²	79	36 Å²	36	42%	0.422	22%	0.215	S	C	.	.			trans	-158.5	171.3	176.5	-160.7	20.7	0	0	0	111.4	R526 W530	R526-N535 PolarHBondContact NH1-OD1 3.16Å; W530-N535 PolarHBondContact NE1-OD1 2.78Å
536	Y	93.8	Very high	96	Very high	6 Å²	6	36.7 Å²	36.7	2%	0.024	22%	0.218	C	C	.	.			trans	-125	149.9	169.8	55.4	-86.4	0	0	0	112.8	R526 L529 H538 T540 P574 G575	R526-Y536 HydrophobicContact CG-CE1 3.65Å; R526-Y536 PolarHBondContact NH1-O 2.95Å; R526-Y536 VanDerWaalsContact NH2-CE2 3.34Å; L529-Y536 HydrophobicContact CD1-CD1 3.73Å; L529-Y536 HydrophobicContact CD1-CE1 4.14Å; Y536-H538 AromaticContact CD2-CE1 3.9Å; Y536-H538 AromaticContact CD2-NE2 3.87Å; Y536-H538 VanDerWaalsContact CD2-O 3.23Å; Y536-H538 WeakPolarHBondContact CD2-O 3.44Å; Y536-H538 WeakPolarHBondContact CE2-O 3.3Å; Y536-T540 WeakPolarHBondContact OH-CG2 3.14Å; Y536-T540 PolarHBondContact OH-OG1 2.77Å; Y536-P574 HydrophobicContact CE1-CB 3.96Å; Y536-G575 VanDerWaalsContact CB-O 3.29Å; Y536-G575 WeakPolarHBondContact CB-O 3.27Å; Y536-G575 WeakPolarHBondContact CD1-O 3.32Å
537	G	85.3	Confident	95.9	Very high	86 Å²	86	36.4 Å²	36.4	89%	0.887	22%	0.217	S	C	*	.	S	Bend	trans	-92.1	14.1	-169.2	0	0	0	0	0	116.7
538	H	89.6	Confident	95.7	Very high	36 Å²	36	31.7 Å²	31.7	17%	0.167	20%	0.2	C	C	.	.	S	Bend	trans	-130.7	173.4	179.3	59.5	93.7	0	0	0	111.3	R526 Y536 E573 Y577	R526-H538 PolarHBondContact NH2-O 3Å; Y536-H538 AromaticContact CD2-CE1 3.9Å; Y536-H538 AromaticContact CD2-NE2 3.87Å; Y536-H538 VanDerWaalsContact CD2-O 3.23Å; Y536-H538 WeakPolarHBondContact CD2-O 3.44Å; Y536-H538 WeakPolarHBondContact CE2-O 3.3Å; H538-E573 PolarHBondContact CE1-O 2.96Å; H538-E573 VanDerWaalsContact CE1-O 3.23Å; H538-E573 IonicContact CE1-OE2 3.78Å; H538-E573 IonicContact ND1-OE2 2.77Å; H538-Y577 AromaticContact CD2-CE2 3.55Å; H538-Y577 AromaticContact CD2-CZ 3.95Å; H538-Y577 AromaticContact NE2-CE2 3.31Å; H538-Y577 VanDerWaalsContact NE2-CE2 3.31Å; H538-Y577 WeakPolarHBondContact NE2-CE2 3.17Å; H538-Y577 AromaticContact NE2-CZ 3.47Å; H538-Y577 PolarHBondContact NE2-OH 2.7Å
539	G	90.6	Very high	95.4	Very high	26 Å²	26	31.8 Å²	31.8	27%	0.268	20%	0.201	S	C	.	.			trans	-69.6	159.8	174.9	0	0	0	0	0	112.2	G541	G539-G541 VanDerWaalsContact C-N 3.26Å; G539-G541 PolarHBondContact O-N 2.91Å
540	T	96.8	Very high	95.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-76.5	-10.7	-178.3	-40.4	0	0	0	0	114.3	I507 E522 Y536 I572 E573	I507-T540 HydrophobicContact CD1-CG2 3.26Å; E522-T540 PolarHBondContact OE1-OG1 3.19Å; Y536-T540 WeakPolarHBondContact OH-CG2 3.14Å; Y536-T540 PolarHBondContact OH-OG1 2.77Å; T540-I572 CarbonylContact O-C 3.53Å; T540-I572 WeakPolarHBondContact O-CA 3.23Å; T540-E573 WeakPolarHBondContact O-CG 3.41Å; T540-E573 PolarHBondContact O-N 3.19Å
541	G	96.8	Very high	95.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.192	C	C	.	.			trans	167.4	175.4	175.7	0	0	0	0	0	113.4	G539 F557 Q558 S571	G539-G541 VanDerWaalsContact C-N 3.26Å; G539-G541 PolarHBondContact O-N 2.91Å; G541-F557 PolarHBondContact O-N 3.43Å; G541-Q558 PolarHBondContact O-NE2 3.09Å; G541-Q558 VanDerWaalsContact O-NE2 3.1Å; G541-S571 WeakPolarHBondContact CA-O 3.43Å; G541-S571 VanDerWaalsContact CA-OG 3.3Å; G541-S571 WeakPolarHBondContact CA-OG 3.43Å
542	H	97.6	Very high	95	Very high	13 Å²	13	23.7 Å²	23.7	6%	0.06	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-143.5	162	-177.2	54.9	75.8	0	0	0	110.5	D479 V550 H551 T570 S571 E573 E587	D479-H542 IonicContact OD2-CE1 2.69Å; D479-H542 PolarHBondContact OD2-CE1 3.49Å; D479-H542 IonicContact OD2-NE2 3.83Å; H542-V550 PolarHBondContact CE1-O 3.28Å; H542-V550 PolarHBondContact ND1-O 2.89Å; H542-H551 AromaticContact CD2-CD2 3.47Å; H542-H551 PolarHBondContact CD2-CD2 3.41Å; H542-H551 VanDerWaalsContact CD2-CD2 3.47Å; H542-H551 AromaticContact CD2-NE2 3.83Å; H542-H551 AromaticContact CE1-CD2 3.31Å; H542-H551 PolarHBondContact CE1-CD2 2.95Å; H542-H551 AromaticContact CE1-NE2 4Å; H542-H551 AromaticContact CG-CD2 3.53Å; H542-H551 AromaticContact ND1-CD2 3.41Å; H542-H551 PolarHBondContact ND1-CD2 2.97Å; H542-H551 AromaticContact NE2-CD2 3.36Å; H542-H551 PolarHBondContact NE2-CD2 3.4Å; H542-H551 AromaticContact NE2-NE2 3.64Å; H542-T570 CarbonylContact O-C 3.59Å; H542-T570 WeakPolarHBondContact O-CA 3.46Å; H542-T570 PolarHBondContact O-OG1 3.44Å; H542-T570 VanDerWaalsContact O-OG1 3.06Å; H542-S571 PolarHBondContact CD2-OG 3.21Å; H542-S571 PolarHBondContact CE1-OG 2.79Å; H542-S571 PolarHBondContact N-OG 2.9Å; H542-S571 PolarHBondContact NE2-OG 3.15Å; H542-S571 PolarHBondContact O-N 3.04Å; H542-S571 PolarHBondContact O-OG 2.89Å; H542-E573 IonicContact CD2-OE1 3.41Å; H542-E573 PolarHBondContact CD2-OE1 3.5Å; H542-E573 IonicContact NE2-OE1 3.48Å; H542-E573 PolarHBondContact NE2-OE1 3.24Å; H542-E587 IonicContact NE2-OE1 2.78Å
543	G	97.8	Very high	94.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-62.4	157.1	171.3	0	0	0	0	0	112.7	E552 V555 F569	G543-E552 VanDerWaalsContact CA-O 3.3Å; G543-E552 WeakPolarHBondContact CA-O 3.33Å; G543-E552 PolarHBondContact O-N 2.7Å; G543-V555 PolarHBondContact N-O 3.42Å; G543-F569 VanDerWaalsContact CA-O 3.3Å; G543-F569 WeakPolarHBondContact CA-O 3.37Å
544	V	98	Very high	94.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.126	C	C	.	.			trans	-126	127.8	174.9	-178.3	0	0	0	0	110.1	T477 F569 V589	T477-V544 WeakPolarHBondContact O-CG1 3.39Å; V544-F569 HydrophobicContact CB-CB 4.41Å; V544-F569 PolarHBondContact N-O 2.93Å; V544-V589 HydrophobicContact CB-CG1 4.37Å; V544-V589 HydrophobicContact CG2-CG1 4.15Å; V544-V589 HydrophobicContact CG2-CG2 3.97Å
545	G	95.3	Very high	94.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.119	C	C	.	.			trans	-79.9	172.9	-179.5	0	0	0	0	0	114	T477 G549	T477-G545 WeakPolarHBondContact CB-O 3.42Å; G545-G549 PolarHBondContact N-O 3.3Å
546	N	93.6	Very high	94.6	Very high	14 Å²	14	15.1 Å²	15.1	8%	0.075	10%	0.099	C	C	.	.	S	Bend	trans	-109.2	104.2	173.9	-171.6	-6.9	0	0	0	111.1	R267 E379 I382 D475 G476 F548	R267-N546 PolarHBondContact NH2-O 3.21Å; R267-N546 VanDerWaalsContact NH2-O 3.11Å; E379-N546 WeakPolarHBondContact CA-ND2 3.34Å; E379-N546 PolarHBondContact O-ND2 2.81Å; I382-N546 WeakPolarHBondContact CD1-ND2 3.2Å; I382-N546 WeakPolarHBondContact CG1-ND2 3.16Å; D475-N546 PolarHBondContact O-OD1 3.32Å; G476-N546 VanDerWaalsContact CA-OD1 3.28Å; G476-N546 WeakPolarHBondContact CA-OD1 3.36Å; G476-N546 PolarHBondContact N-OD1 2.8Å; N546-F548 PolarHBondContact O-N 3.21Å
547	Y	95.4	Very high	94.7	Very high	16 Å²	16	15 Å²	15	6%	0.063	10%	0.099	C	C	.	.	S	Bend	trans	47.9	50.5	-165.7	-172.6	-149.8	0	0	0	110.5	L222 R267 P275 R430 Q472 Y473 L474 T477	L222-Y547 HydrophobicContact CD2-CD1 3.67Å; L222-Y547 HydrophobicContact CD2-CE1 4.18Å; R267-Y547 HydrophobicContact CB-CE1 4.28Å; R267-Y547 HydrophobicContact CG-CD1 3.97Å; R267-Y547 HydrophobicContact CG-CE1 3.75Å; R267-Y547 PolarHBondContact NE-O 2.89Å; P275-Y547 HydrophobicContact CB-CD2 4.22Å; P275-Y547 HydrophobicContact CB-CE2 3.7Å; P275-Y547 HydrophobicContact CG-CD2 3.86Å; P275-Y547 HydrophobicContact CG-CE2 3.85Å; P275-Y547 HydrophobicContact CG-CG 4.41Å; P275-Y547 WeakPolarHBondContact CG-O 3.49Å; R430-Y547 HydrophobicContact CB-CE2 3.87Å; R430-Y547 HydrophobicContact CG-CE2 3.89Å; Q472-Y547 HydrophobicContact CB-CD2 4.11Å; Q472-Y547 HydrophobicContact CB-CE2 4.1Å; Y473-Y547 WeakPolarHBondContact O-CB 3.41Å; Y473-Y547 WeakPolarHBondContact O-CD2 3.37Å; L474-Y547 HydrophobicContact CD2-CD1 4.16Å; L474-Y547 HydrophobicContact CD2-CE1 3.61Å; T477-Y547 VanDerWaalsContact OG1-CA 3.27Å; T477-Y547 WeakPolarHBondContact OG1-CA 3.23Å; T477-Y547 PolarHBondContact OG1-N 2.56Å; T477-Y547 VanDerWaalsContact OG1-N 3.11Å
548	F	93.1	Very high	95	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.009	7%	0.068	C	C	.	.	S	Bend	trans	-142.9	-167.3	-168	-119.1	-126.1	0	0	0	110.1	D258 A261 W262 R267 F276 K372 Q472 T477 N546 V550	D258-F548 VanDerWaalsContact CA-CE1 3.46Å; D258-F548 HydrophobicContact CB-CD1 3.88Å; D258-F548 HydrophobicContact CB-CE1 3.36Å; D258-F548 HydrophobicContact CB-CZ 4.13Å; D258-F548 WeakPolarHBondContact O-CE1 3.45Å; D258-F548 WeakPolarHBondContact O-CZ 3.25Å; A261-F548 HydrophobicContact CB-CE2 3.85Å; A261-F548 HydrophobicContact CB-CZ 3.65Å; W262-F548 HydrophobicContact CB-CE1 4.03Å; W262-F548 HydrophobicContact CB-CZ 3.68Å; R267-F548 VanDerWaalsContact NH2-CE2 3.34Å; F276-F548 HydrophobicContact CE1-CB 4.49Å; F276-F548 AromaticContact CE1-CD1 3.77Å; F276-F548 HydrophobicContact CE1-CD1 3.77Å; F276-F548 HydrophobicContact CE1-CD2 4.09Å; F276-F548 AromaticContact CE1-CE1 3.92Å; F276-F548 HydrophobicContact CE1-CE1 3.92Å; F276-F548 HydrophobicContact CE1-CE2 4.15Å; F276-F548 AromaticContact CE1-CG 3.86Å; F276-F548 HydrophobicContact CE1-CG 3.86Å; F276-F548 HydrophobicContact CE1-CZ 4.07Å; F276-F548 HydrophobicContact CZ-CD1 4.24Å; K372-F548 HydrophobicContact CD-CE1 4.23Å; Q472-F548 PolarHBondContact NE2-O 3.46Å; Q472-F548 PolarHBondContact OE1-O 2.74Å; T477-F548 PolarHBondContact OG1-N 3.31Å; T477-F548 PolarHBondContact OG1-O 3.49Å; N546-F548 PolarHBondContact O-N 3.21Å; F548-V550 PolarHBondContact O-N 3.38Å
549	G	94.1	Very high	95	Very high	5 Å²	5	14.2 Å²	14.2	5%	0.052	9%	0.087	C	C	.	.			trans	-56.1	134.5	172.5	0	0	0	0	0	111.5	N274 F276 G545 H551	N274-G549 WeakPolarHBondContact OD1-CA 3.38Å; F276-G549 VanDerWaalsContact CZ-N 3.33Å; G545-G549 PolarHBondContact N-O 3.3Å; G549-H551 VanDerWaalsContact C-N 3.26Å
550	V	96.8	Very high	95	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-63.6	-37.4	174.6	66.7	0	0	0	0	110.9	Y97 F434 T477 D479 H542 F548	Y97-V550 HydrophobicContact CE2-CG1 4.42Å; F434-V550 HydrophobicContact CB-CG1 4.47Å; F434-V550 HydrophobicContact CD1-CB 4.32Å; F434-V550 HydrophobicContact CD1-CG1 3.99Å; F434-V550 HydrophobicContact CD1-CG2 3.97Å; F434-V550 HydrophobicContact CE1-CG2 4.07Å; T477-V550 HydrophobicContact CG2-CB 4.06Å; T477-V550 HydrophobicContact CG2-CG2 4.27Å; D479-V550 HydrophobicContact CB-CG2 3.72Å; D479-V550 WeakPolarHBondContact OD2-CG2 3.46Å; H542-V550 PolarHBondContact CE1-O 3.28Å; H542-V550 PolarHBondContact ND1-O 2.89Å; F548-V550 PolarHBondContact O-N 3.38Å
551	H	95.8	Very high	94.9	Very high	48 Å²	48	16 Å²	16	22%	0.222	9%	0.09	C	C	.	.	S	Bend	trans	-94.2	102.3	166.8	-57.4	162.1	0	0	0	109.6	E96 H542 G549	E96-H551 IonicContact OE1-CE1 2.72Å; E96-H551 PolarHBondContact OE1-CE1 2.9Å; E96-H551 VanDerWaalsContact OE1-CE1 3.26Å; E96-H551 IonicContact OE1-CG 2.78Å; E96-H551 IonicContact OE1-ND1 3.78Å; E96-H551 PolarHBondContact OE1-ND1 3.48Å; E96-H551 VanDerWaalsContact OE2-CB 3.26Å; E96-H551 WeakPolarHBondContact OE2-CB 3.2Å; E96-H551 IonicContact OE2-CE1 2.75Å; E96-H551 IonicContact OE2-CG 2.79Å; E96-H551 IonicContact OE2-ND1 3.84Å; E96-H551 PolarHBondContact OE2-ND1 2.85Å; H542-H551 AromaticContact CD2-CD2 3.47Å; H542-H551 PolarHBondContact CD2-CD2 3.41Å; H542-H551 VanDerWaalsContact CD2-CD2 3.47Å; H542-H551 AromaticContact CD2-NE2 3.83Å; H542-H551 AromaticContact CE1-CD2 3.31Å; H542-H551 PolarHBondContact CE1-CD2 2.95Å; H542-H551 AromaticContact CE1-NE2 4Å; H542-H551 AromaticContact CG-CD2 3.53Å; H542-H551 AromaticContact ND1-CD2 3.41Å; H542-H551 PolarHBondContact ND1-CD2 2.97Å; H542-H551 AromaticContact NE2-CD2 3.36Å; H542-H551 PolarHBondContact NE2-CD2 3.4Å; H542-H551 AromaticContact NE2-NE2 3.64Å; G549-H551 VanDerWaalsContact C-N 3.26Å
552	E	94.6	Very high	94.9	Very high	5 Å²	5	17.3 Å²	17.3	2%	0.023	10%	0.097	C	C	.	.			trans	-105.9	103.6	-179.2	-166.7	-180	62.5	0	0	112.4	K372 K375 G543 V555	K372-E552 VanDerWaalsContact NZ-CD 3.26Å; K372-E552 IonicContact NZ-OE2 3.91Å; K372-E552 PolarHBondContact NZ-OE2 3.37Å; K375-E552 WeakPolarHBondContact CE-OE1 3.31Å; K375-E552 IonicContact NZ-OE1 3.21Å; K375-E552 PolarHBondContact NZ-OE1 2.88Å; G543-E552 VanDerWaalsContact CA-O 3.3Å; G543-E552 WeakPolarHBondContact CA-O 3.33Å; G543-E552 PolarHBondContact O-N 2.7Å; E552-V555 PolarHBondContact O-N 2.99Å
553	W	92.6	Very high	94.9	Very high	58 Å²	58	19 Å²	19	22%	0.22	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	150.7	169.1	-67	88.5	0	0	0	111.5	Y345 K372 Q558 N560 N561	Y345-W553 HydrophobicContact CE2-CB 3.84Å; Y345-W553 HydrophobicContact CE2-CG 4.18Å; Y345-W553 AromaticContact CZ-CD1 3.97Å; Y345-W553 AromaticContact CZ-CG 3.97Å; Y345-W553 PolarHBondContact OH-NE1 2.92Å; K372-W553 PolarHBondContact NZ-O 3.46Å; W553-Q558 HydrophobicContact CH2-CB 4.07Å; W553-Q558 HydrophobicContact CH2-CG 3.99Å; W553-Q558 HydrophobicContact CZ3-CB 4.31Å; W553-N560 VanDerWaalsContact CZ3-OD1 3.3Å; W553-N560 WeakPolarHBondContact CZ3-OD1 3.48Å; W553-N561 VanDerWaalsContact CE3-ND2 3.29Å; W553-N561 WeakPolarHBondContact CZ3-ND2 3.32Å
554	P	95.1	Very high	94.9	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	cis	-103.7	29.2	6.6	39.6	-36.4	0	0	0	115.2	Y365 N561 I562	Y365-P554 HydrophobicContact CD1-CB 3.81Å; Y365-P554 HydrophobicContact CD1-CG 4.37Å; Y365-P554 HydrophobicContact CD2-CB 3.45Å; Y365-P554 VanDerWaalsContact CD2-CB 3.45Å; Y365-P554 HydrophobicContact CD2-CG 3.85Å; Y365-P554 HydrophobicContact CE1-CB 3.6Å; Y365-P554 HydrophobicContact CE2-CB 3.24Å; Y365-P554 HydrophobicContact CE2-CG 4.14Å; Y365-P554 HydrophobicContact CG-CB 3.73Å; Y365-P554 HydrophobicContact CG-CG 3.97Å; P554-N561 VanDerWaalsContact C-ND2 3.27Å; P554-N561 WeakPolarHBondContact O-CA 3.37Å; P554-N561 VanDerWaalsContact O-CB 3.27Å; P554-N561 WeakPolarHBondContact O-CB 3.43Å; P554-N561 PolarHBondContact O-ND2 3.47Å; P554-I562 HydrophobicContact CB-CG1 4.36Å; P554-I562 HydrophobicContact CB-CG2 4.05Å; P554-I562 HydrophobicContact CG-CB 4.41Å; P554-I562 HydrophobicContact CG-CD1 3.65Å; P554-I562 HydrophobicContact CG-CG1 3.81Å; P554-I562 HydrophobicContact CG-CG2 3.81Å; P554-I562 PolarHBondContact O-N 2.92Å; P554-I562 VanDerWaalsContact O-N 3.1Å
555	V	97	Very high	94.8	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	14%	0.136	C	C	.	.			trans	-86.4	140	177.4	-175.3	0	0	0	0	109.3	A373 G543 E552 N561 F564 M568	A373-V555 HydrophobicContact CB-CG2 3.75Å; G543-V555 PolarHBondContact N-O 3.42Å; E552-V555 PolarHBondContact O-N 2.99Å; V555-N561 PolarHBondContact O-ND2 2.83Å; V555-F564 HydrophobicContact CG1-CD1 4.02Å; V555-F564 HydrophobicContact CG1-CE1 3.67Å; V555-M568 HydrophobicContact CG1-CB 4.27Å; V555-M568 HydrophobicContact CG1-SD 4.38Å; V555-M568 HydrophobicContact CG2-CB 4.33Å; V555-M568 HydrophobicContact CG2-CE 4.31Å; V555-M568 HydrophobicContact CG2-CG 4.06Å; V555-M568 HydrophobicContact CG2-SD 3.81Å
556	G	96.2	Very high	95	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	155	-165.1	-180	0	0	0	0	0	113.8	G518 N561	G518-G556 WeakPolarHBondContact CA-O 3.42Å; G556-N561 WeakPolarHBondContact CA-OD1 3.28Å; G556-N561 PolarHBondContact N-ND2 3.43Å
557	F	96.6	Very high	95.2	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.013	16%	0.156	C	C	.	.	S	Bend	trans	-112.4	2.4	-175.1	-66	-101.1	0	0	0	113.8	I507 G518 V519 M521 G541 N561 F564 T570 I572	I507-F557 HydrophobicContact CD1-CE1 4.35Å; I507-F557 HydrophobicContact CG2-CE1 4.06Å; I507-F557 HydrophobicContact CG2-CZ 3.98Å; G518-F557 VanDerWaalsContact O-CD1 3.22Å; G518-F557 WeakPolarHBondContact O-CD1 3.3Å; V519-F557 WeakPolarHBondContact CA-O 3.18Å; V519-F557 VanDerWaalsContact CB-O 3.28Å; V519-F557 WeakPolarHBondContact CB-O 3.34Å; V519-F557 PolarHBondContact N-O 3.11Å; M521-F557 HydrophobicContact CB-CE1 4.42Å; G541-F557 PolarHBondContact O-N 3.43Å; F557-N561 PolarHBondContact N-OD1 3.31Å; F557-F564 HydrophobicContact CE1-CE2 4.38Å; F557-F564 HydrophobicContact CE1-CZ 4.39Å; F557-F564 HydrophobicContact CE2-CZ 4.09Å; F557-F564 HydrophobicContact CZ-CE2 4.32Å; F557-F564 HydrophobicContact CZ-CZ 4.02Å; F557-T570 HydrophobicContact CE2-CG2 4.31Å; F557-I572 HydrophobicContact CZ-CG1 4.36Å
558	Q	92.2	Very high	95.3	Very high	53 Å²	53	29.9 Å²	29.9	25%	0.248	15%	0.153	C	C	.	.	S	Bend	trans	-80.4	160	176.9	-56.1	78.5	10.9	0	0	112.3	G541 W553 N560 N561	G541-Q558 PolarHBondContact O-NE2 3.09Å; G541-Q558 VanDerWaalsContact O-NE2 3.1Å; W553-Q558 HydrophobicContact CH2-CB 4.07Å; W553-Q558 HydrophobicContact CH2-CG 3.99Å; W553-Q558 HydrophobicContact CZ3-CB 4.31Å; Q558-N560 VanDerWaalsContact C-N 3.33Å; Q558-N560 PolarHBondContact O-N 3.12Å; Q558-N561 WeakPolarHBondContact CA-OD1 3.49Å; Q558-N561 VanDerWaalsContact CB-OD1 3.28Å; Q558-N561 WeakPolarHBondContact CB-OD1 3.4Å; Q558-N561 PolarHBondContact N-OD1 3.27Å; Q558-N561 WeakPolarHBondContact O-CB 3.16Å; Q558-N561 PolarHBondContact O-N 3.23Å; Q558-N561 VanDerWaalsContact O-N 3.12Å; Q558-N561 PolarHBondContact O-OD1 2.8Å; Q558-N561 PolarHBondContact OE1-OD1 3.38Å
559	G	89.3	Confident	95.6	Very high	54 Å²	54	29.8 Å²	29.8	56%	0.557	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-31.2	-171.2	0	0	0	0	0	115.1	N561	G559-N561 VanDerWaalsContact C-N 3.33Å
560	N	89.9	Confident	95.8	Very high	61 Å²	61	29.5 Å²	29.5	33%	0.326	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	1.7	177.2	63.5	-19.5	0	0	0	113.1	E344 Y365 W553 Q558	E344-N560 PolarHBondContact OE2-ND2 2.72Å; Y365-N560 WeakPolarHBondContact CE2-O 3.44Å; Y365-N560 PolarHBondContact OH-ND2 2.89Å; Y365-N560 PolarHBondContact OH-O 3.39Å; W553-N560 VanDerWaalsContact CZ3-OD1 3.3Å; W553-N560 WeakPolarHBondContact CZ3-OD1 3.48Å; Q558-N560 VanDerWaalsContact C-N 3.33Å; Q558-N560 PolarHBondContact O-N 3.12Å
561	N	94.9	Very high	95.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-70.5	155.8	175.6	-65.8	118.8	0	0	0	113.3	K517 W553 P554 V555 G556 F557 Q558 G559	K517-N561 WeakPolarHBondContact CE-O 3.46Å; K517-N561 PolarHBondContact NZ-O 3.19Å; W553-N561 VanDerWaalsContact CE3-ND2 3.29Å; W553-N561 WeakPolarHBondContact CZ3-ND2 3.32Å; P554-N561 VanDerWaalsContact C-ND2 3.27Å; P554-N561 WeakPolarHBondContact O-CA 3.37Å; P554-N561 VanDerWaalsContact O-CB 3.27Å; P554-N561 WeakPolarHBondContact O-CB 3.43Å; P554-N561 PolarHBondContact O-ND2 3.47Å; V555-N561 PolarHBondContact O-ND2 2.83Å; G556-N561 WeakPolarHBondContact CA-OD1 3.28Å; G556-N561 PolarHBondContact N-ND2 3.43Å; F557-N561 PolarHBondContact N-OD1 3.31Å; Q558-N561 WeakPolarHBondContact CA-OD1 3.49Å; Q558-N561 VanDerWaalsContact CB-OD1 3.28Å; Q558-N561 WeakPolarHBondContact CB-OD1 3.4Å; Q558-N561 PolarHBondContact N-OD1 3.27Å; Q558-N561 WeakPolarHBondContact O-CB 3.16Å; Q558-N561 PolarHBondContact O-N 3.23Å; Q558-N561 VanDerWaalsContact O-N 3.12Å; Q558-N561 PolarHBondContact O-OD1 2.8Å; Q558-N561 PolarHBondContact OE1-OD1 3.38Å; G559-N561 VanDerWaalsContact C-N 3.33Å
562	I	96.4	Very high	96	Very high	29 Å²	29	27.2 Å²	27.2	15%	0.149	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-80.7	159.8	172.9	66.8	173.3	0	0	0	111.1	Y365 T370 A373 P554 M568	Y365-I562 HydrophobicContact CD2-CG2 3.88Å; Y365-I562 HydrophobicContact CE2-CG2 4.07Å; T370-I562 HydrophobicContact CG2-CD1 4.49Å; A373-I562 HydrophobicContact CB-CD1 4.38Å; P554-I562 HydrophobicContact CB-CG1 4.36Å; P554-I562 HydrophobicContact CB-CG2 4.05Å; P554-I562 HydrophobicContact CG-CB 4.41Å; P554-I562 HydrophobicContact CG-CD1 3.65Å; P554-I562 HydrophobicContact CG-CG1 3.81Å; P554-I562 HydrophobicContact CG-CG2 3.81Å; P554-I562 PolarHBondContact O-N 2.92Å; P554-I562 VanDerWaalsContact O-N 3.1Å; I562-M568 HydrophobicContact CD1-CE 3.46Å; I562-M568 VanDerWaalsContact CD1-CE 3.46Å; I562-M568 HydrophobicContact CG1-CE 4.11Å
563	P	97.4	Very high	96.2	Very high	48 Å²	48	28.2 Å²	28.2	31%	0.312	14%	0.144	S	C	.	.	B	Isolated β-bridge	trans	-57.1	143.4	171.4	-27	36.9	0	0	0	113.3	G515 K517	G515-P563 WeakPolarHBondContact O-CB 3.41Å; K517-P563 HydrophobicContact CG-CB 4.36Å; K517-P563 HydrophobicContact CG-CG 3.92Å
564	F	97.7	Very high	96.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-65.1	141.7	174.2	-71.6	-46.7	0	0	0	111.6	F512 T516 M521 V555 F557 M568 T570 I592 F606	F512-F564 HydrophobicContact CE2-CB 4.01Å; F512-F564 HydrophobicContact CE2-CD2 4.15Å; F512-F564 HydrophobicContact CZ-CB 4.43Å; F512-F564 HydrophobicContact CZ-CD2 4.21Å; T516-F564 PolarHBondContact O-N 2.78Å; M521-F564 HydrophobicContact CE-CD2 3.54Å; M521-F564 HydrophobicContact CE-CE2 3.65Å; V555-F564 HydrophobicContact CG1-CD1 4.02Å; V555-F564 HydrophobicContact CG1-CE1 3.67Å; F557-F564 HydrophobicContact CE1-CE2 4.38Å; F557-F564 HydrophobicContact CE1-CZ 4.39Å; F557-F564 HydrophobicContact CE2-CZ 4.09Å; F557-F564 HydrophobicContact CZ-CE2 4.32Å; F557-F564 HydrophobicContact CZ-CZ 4.02Å; F564-M568 HydrophobicContact CD1-SD 4.47Å; F564-T570 HydrophobicContact CE1-CG2 4.29Å; F564-T570 HydrophobicContact CZ-CG2 4.36Å; F564-I592 HydrophobicContact CB-CG1 4.27Å; F564-I592 HydrophobicContact CD1-CD1 4.11Å; F564-I592 HydrophobicContact CD1-CG1 4.27Å; F564-I592 HydrophobicContact CE1-CD1 4.43Å; F564-I592 HydrophobicContact CG-CG1 4.26Å; F564-F606 HydrophobicContact CD2-CE1 4.42Å; F564-F606 HydrophobicContact CD2-CZ 4.28Å; F564-F606 HydrophobicContact CE2-CE1 4.18Å; F564-F606 AromaticContact CE2-CZ 3.97Å; F564-F606 HydrophobicContact CE2-CZ 3.97Å
565	R	97.5	Very high	96.6	Very high	150 Å²	150	25.4 Å²	25.4	57%	0.566	13%	0.134	S	C	*	.			trans	-134.3	153	175.8	-61.1	179.6	63.3	179.7	-1.5	108.9	V374 G567 M568 I592	V374-R565 HydrophobicContact CG2-CB 4.21Å; R565-G567 PolarHBondContact O-N 2.96Å; R565-M568 HydrophobicContact CB-CE 3.89Å; R565-M568 HydrophobicContact CB-CG 4.41Å; R565-M568 HydrophobicContact CB-SD 4.05Å; R565-M568 HydrophobicContact CG-CE 3.96Å; R565-M568 HydrophobicContact CG-SD 4.5Å; R565-M568 PolarHBondContact N-SD 3.16Å; R565-M568 WeakPolarHBondContact O-CB 3.11Å; R565-M568 WeakPolarHBondContact O-CG 3.42Å; R565-M568 PolarHBondContact O-N 2.74Å; R565-I592 WeakPolarHBondContact O-CB 3.49Å; R565-I592 WeakPolarHBondContact O-CG2 3.49Å
566	E	97.9	Very high	96.6	Very high	108 Å²	108	26.5 Å²	26.5	51%	0.505	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	138	170.3	176.2	176.3	-167.2	0	0	111.5	V374 M568 I592 P594 L604	V374-E566 WeakPolarHBondContact CG1-O 3.28Å; E566-M568 VanDerWaalsContact C-N 3.3Å; E566-M568 PolarHBondContact O-N 2.64Å; E566-I592 WeakPolarHBondContact CA-O 3.46Å; E566-P594 HydrophobicContact CG-CG 4.21Å; E566-P594 WeakPolarHBondContact OE1-CD 3.27Å; E566-P594 VanDerWaalsContact OE1-CG 3.24Å; E566-P594 WeakPolarHBondContact OE1-CG 3.39Å; E566-P594 WeakPolarHBondContact OE2-CG 3.3Å; E566-L604 HydrophobicContact CB-CD2 4.24Å
567	G	97.9	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-0.6	179.8	0	0	0	0	0	115.1	K375 R565 I592	K375-G567 VanDerWaalsContact CB-O 3.28Å; K375-G567 WeakPolarHBondContact CB-O 3.48Å; K375-G567 WeakPolarHBondContact CG-O 3.22Å; K375-G567 PolarHBondContact N-O 2.63Å; R565-G567 PolarHBondContact O-N 2.96Å; G567-I592 PolarHBondContact N-O 2.97Å
568	M	98.6	Very high	96.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.			trans	-75.2	145.5	167.2	-70.3	178.2	172.9	0	0	110.4	A373 V374 V555 I562 F564 R565 E566 V591 I592	A373-M568 HydrophobicContact CB-CE 4.06Å; A373-M568 WeakPolarHBondContact O-CG 3.4Å; V374-M568 HydrophobicContact CG2-CE 3.7Å; V374-M568 HydrophobicContact CG2-CG 4.12Å; V555-M568 HydrophobicContact CG1-CB 4.27Å; V555-M568 HydrophobicContact CG1-SD 4.38Å; V555-M568 HydrophobicContact CG2-CB 4.33Å; V555-M568 HydrophobicContact CG2-CE 4.31Å; V555-M568 HydrophobicContact CG2-CG 4.06Å; V555-M568 HydrophobicContact CG2-SD 3.81Å; I562-M568 HydrophobicContact CD1-CE 3.46Å; I562-M568 VanDerWaalsContact CD1-CE 3.46Å; I562-M568 HydrophobicContact CG1-CE 4.11Å; F564-M568 HydrophobicContact CD1-SD 4.47Å; R565-M568 HydrophobicContact CB-CE 3.89Å; R565-M568 HydrophobicContact CB-CG 4.41Å; R565-M568 HydrophobicContact CB-SD 4.05Å; R565-M568 HydrophobicContact CG-CE 3.96Å; R565-M568 HydrophobicContact CG-SD 4.5Å; R565-M568 PolarHBondContact N-SD 3.16Å; R565-M568 WeakPolarHBondContact O-CB 3.11Å; R565-M568 WeakPolarHBondContact O-CG 3.42Å; R565-M568 PolarHBondContact O-N 2.74Å; E566-M568 VanDerWaalsContact C-N 3.3Å; E566-M568 PolarHBondContact O-N 2.64Å; M568-V591 WeakPolarHBondContact O-CA 3.39Å; M568-I592 HydrophobicContact CB-CD1 3.88Å; M568-I592 WeakPolarHBondContact O-CD1 3.48Å; M568-I592 PolarHBondContact O-N 3.26Å
569	F	98.6	Very high	96.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.7	171	-81	-112.3	0	0	0	109.4	K375 Q380 L383 G543 V544 V589 V590 V591 V609	K375-F569 HydrophobicContact CG-CD2 3.99Å; K375-F569 HydrophobicContact CG-CE2 4.38Å; Q380-F569 HydrophobicContact CB-CE2 4.36Å; Q380-F569 HydrophobicContact CG-CE2 4.03Å; L383-F569 HydrophobicContact CB-CE1 4.19Å; L383-F569 HydrophobicContact CB-CZ 4.05Å; L383-F569 HydrophobicContact CD2-CB 4.21Å; L383-F569 HydrophobicContact CD2-CD1 3.43Å; L383-F569 VanDerWaalsContact CD2-CD1 3.43Å; L383-F569 HydrophobicContact CD2-CD2 3.76Å; L383-F569 HydrophobicContact CD2-CE1 3.56Å; L383-F569 HydrophobicContact CD2-CE2 3.86Å; L383-F569 HydrophobicContact CD2-CG 3.54Å; L383-F569 HydrophobicContact CD2-CZ 3.78Å; L383-F569 HydrophobicContact CG-CD1 4.04Å; L383-F569 HydrophobicContact CG-CE1 3.76Å; L383-F569 HydrophobicContact CG-CZ 4.08Å; G543-F569 VanDerWaalsContact CA-O 3.3Å; G543-F569 WeakPolarHBondContact CA-O 3.37Å; V544-F569 HydrophobicContact CB-CB 4.41Å; V544-F569 PolarHBondContact N-O 2.93Å; F569-V589 HydrophobicContact CB-CG1 4.49Å; F569-V589 HydrophobicContact CD1-CG1 3.82Å; F569-V590 CarbonylContact C-O 3.55Å; F569-V590 VanDerWaalsContact CA-O 3.3Å; F569-V590 WeakPolarHBondContact CA-O 3.38Å; F569-V591 HydrophobicContact CD1-CB 4.12Å; F569-V591 HydrophobicContact CD2-CB 4.08Å; F569-V591 HydrophobicContact CD2-CG2 3.85Å; F569-V591 HydrophobicContact CE1-CB 3.88Å; F569-V591 HydrophobicContact CE1-CG2 4.47Å; F569-V591 HydrophobicContact CE2-CB 3.83Å; F569-V591 HydrophobicContact CE2-CG2 3.51Å; F569-V591 HydrophobicContact CG-CB 4.23Å; F569-V591 HydrophobicContact CG-CG2 4.46Å; F569-V591 HydrophobicContact CZ-CB 3.73Å; F569-V591 HydrophobicContact CZ-CG1 4.38Å; F569-V591 HydrophobicContact CZ-CG2 3.86Å; F569-V609 HydrophobicContact CD1-CG2 4.31Å; F569-V609 HydrophobicContact CE1-CG1 3.96Å; F569-V609 HydrophobicContact CE1-CG2 4.06Å
570	T	98.4	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	149.2	176	-171.4	0	0	0	0	110.4	H542 F557 F564 V589 V590 I592 F606	H542-T570 CarbonylContact O-C 3.59Å; H542-T570 WeakPolarHBondContact O-CA 3.46Å; H542-T570 PolarHBondContact O-OG1 3.44Å; H542-T570 VanDerWaalsContact O-OG1 3.06Å; F557-T570 HydrophobicContact CE2-CG2 4.31Å; F564-T570 HydrophobicContact CE1-CG2 4.29Å; F564-T570 HydrophobicContact CZ-CG2 4.36Å; T570-V589 WeakPolarHBondContact O-CA 3.14Å; T570-V590 HydrophobicContact CG2-CG2 3.57Å; T570-V590 PolarHBondContact N-O 2.86Å; T570-V590 WeakPolarHBondContact O-CG2 3.25Å; T570-V590 PolarHBondContact O-N 3.39Å; T570-I592 HydrophobicContact CG2-CD1 3.89Å; T570-F606 HydrophobicContact CG2-CD1 4.48Å; T570-F606 HydrophobicContact CG2-CE1 4.17Å
571	S	98.5	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	155.9	162.7	60.8	0	0	0	0	110.8	G541 H542 E587 D588	G541-S571 WeakPolarHBondContact CA-O 3.43Å; G541-S571 VanDerWaalsContact CA-OG 3.3Å; G541-S571 WeakPolarHBondContact CA-OG 3.43Å; H542-S571 PolarHBondContact CD2-OG 3.21Å; H542-S571 PolarHBondContact CE1-OG 2.79Å; H542-S571 PolarHBondContact N-OG 2.9Å; H542-S571 PolarHBondContact NE2-OG 3.15Å; H542-S571 PolarHBondContact O-N 3.04Å; H542-S571 PolarHBondContact O-OG 2.89Å; S571-E587 WeakPolarHBondContact CB-OE1 3.5Å; S571-D588 CarbonylContact C-O 3.22Å; S571-D588 WeakPolarHBondContact CA-O 3.43Å
572	I	98.7	Very high	96.4	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	102.6	164.6	-61.8	172.5	0	0	0	106.4	N504 I507 S508 T540 F557 E587 D588 V590 F606	N504-I572 HydrophobicContact CB-CG2 4.33Å; N504-I572 PolarHBondContact ND2-O 3.37Å; N504-I572 VanDerWaalsContact ND2-O 3.08Å; I507-I572 HydrophobicContact CB-CD1 4.09Å; I507-I572 HydrophobicContact CB-CG2 4.02Å; I507-I572 HydrophobicContact CD1-CG2 4.15Å; I507-I572 HydrophobicContact CG2-CD1 3.47Å; I507-I572 VanDerWaalsContact CG2-CD1 3.47Å; I507-I572 HydrophobicContact CG2-CG1 3.92Å; I507-I572 HydrophobicContact CG2-CG2 4.18Å; S508-I572 WeakPolarHBondContact OG-CD1 3.45Å; T540-I572 CarbonylContact O-C 3.53Å; T540-I572 WeakPolarHBondContact O-CA 3.23Å; F557-I572 HydrophobicContact CZ-CG1 4.36Å; I572-E587 VanDerWaalsContact O-CA 3.31Å; I572-E587 WeakPolarHBondContact O-CA 3.49Å; I572-D588 PolarHBondContact N-O 3.33Å; I572-D588 PolarHBondContact O-N 3.04Å; I572-D588 VanDerWaalsContact O-N 3.15Å; I572-V590 HydrophobicContact CD1-CB 4.39Å; I572-V590 HydrophobicContact CD1-CG1 3.7Å; I572-V590 HydrophobicContact CD1-CG2 3.73Å; I572-V590 HydrophobicContact CG1-CG1 4.29Å; I572-V590 HydrophobicContact CG1-CG2 4.03Å; I572-F606 HydrophobicContact CD1-CG 4.45Å
573	E	98.3	Very high	96.4	Very high	25 Å²	25	38.6 Å²	38.6	12%	0.117	18%	0.181	C	C	.	.			trans	-130.9	50.9	-165	54.4	156.6	143.7	0	0	114	H538 T540 H542 R585 I586 E587	H538-E573 PolarHBondContact CE1-O 2.96Å; H538-E573 VanDerWaalsContact CE1-O 3.23Å; H538-E573 IonicContact CE1-OE2 3.78Å; H538-E573 IonicContact ND1-OE2 2.77Å; T540-E573 WeakPolarHBondContact O-CG 3.41Å; T540-E573 PolarHBondContact O-N 3.19Å; H542-E573 IonicContact CD2-OE1 3.41Å; H542-E573 PolarHBondContact CD2-OE1 3.5Å; H542-E573 IonicContact NE2-OE1 3.48Å; H542-E573 PolarHBondContact NE2-OE1 3.24Å; E573-R585 HydrophobicContact CB-CG 4.35Å; E573-I586 VanDerWaalsContact CA-O 3.31Å; E573-I586 WeakPolarHBondContact CA-O 3.26Å; E573-E587 HydrophobicContact CB-CB 3.57Å; E573-E587 HydrophobicContact CB-CG 3.71Å
574	P	98.3	Very high	96.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.166	C	C	.	.			trans	-58.3	153.4	174.1	28.7	-36.3	0	0	0	111.4	V500 N504 Y536 I586	V500-P574 HydrophobicContact CG1-CB 4.17Å; V500-P574 HydrophobicContact CG1-CG 4.08Å; V500-P574 WeakPolarHBondContact CG1-O 3.4Å; V500-P574 WeakPolarHBondContact O-CG 3.34Å; N504-P574 HydrophobicContact CB-CG 3.69Å; Y536-P574 HydrophobicContact CE1-CB 3.96Å; P574-I586 WeakPolarHBondContact CD-O 3.38Å; P574-I586 PolarHBondContact O-N 3.03Å; P574-I586 VanDerWaalsContact O-N 3.13Å
575	G	97.6	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	-179.6	178.9	0	0	0	0	0	114.1	L529 Y536 I584	L529-G575 VanDerWaalsContact CD1-O 3.27Å; L529-G575 WeakPolarHBondContact CD1-O 3.41Å; Y536-G575 VanDerWaalsContact CB-O 3.29Å; Y536-G575 WeakPolarHBondContact CB-O 3.27Å; Y536-G575 WeakPolarHBondContact CD1-O 3.32Å; G575-I584 CarbonylContact C-O 3.51Å; G575-I584 WeakPolarHBondContact CA-O 3.4Å
576	Y	98.2	Very high	96.6	Very high	25 Å²	25	29.5 Å²	29.5	10%	0.098	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	133.3	167.2	172.9	-110.7	0	0	0	108.9	M492 A496 L534 K578 F582 G583 I584	M492-Y576 HydrophobicContact CE-CE1 3.75Å; A496-Y576 HydrophobicContact CB-CD1 3.67Å; A496-Y576 HydrophobicContact CB-CE1 4.07Å; L534-Y576 HydrophobicContact CB-CD2 4.01Å; L534-Y576 HydrophobicContact CB-CE2 3.88Å; L534-Y576 HydrophobicContact CD1-CD2 4.27Å; L534-Y576 HydrophobicContact CD1-CE1 4.24Å; L534-Y576 HydrophobicContact CD1-CE2 3.99Å; L534-Y576 HydrophobicContact CD2-CE2 3.66Å; L534-Y576 HydrophobicContact CG-CE2 4.03Å; Y576-K578 HydrophobicContact CE1-CB 3.86Å; Y576-F582 HydrophobicContact CD1-CE2 4.09Å; Y576-F582 HydrophobicContact CE1-CE2 4.16Å; Y576-F582 HydrophobicContact CE1-CZ 4.16Å; Y576-G583 CarbonylContact O-C 3.59Å; Y576-G583 WeakPolarHBondContact O-CA 3.49Å; Y576-I584 PolarHBondContact N-O 3.35Å; Y576-I584 PolarHBondContact O-N 3.22Å
577	Y	95.4	Very high	96.6	Very high	39 Å²	39	24.4 Å²	24.4	15%	0.153	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	109.6	-173.8	-51.6	-81.8	0	0	0	109.4	A444 A445 A447 H538 R585	A444-Y577 WeakPolarHBondContact O-CD1 3.48Å; A445-Y577 WeakPolarHBondContact O-CB 3.49Å; A447-Y577 HydrophobicContact CB-CE1 4.08Å; A447-Y577 HydrophobicContact CB-CE2 4.28Å; H538-Y577 AromaticContact CD2-CE2 3.55Å; H538-Y577 AromaticContact CD2-CZ 3.95Å; H538-Y577 AromaticContact NE2-CE2 3.31Å; H538-Y577 VanDerWaalsContact NE2-CE2 3.31Å; H538-Y577 WeakPolarHBondContact NE2-CE2 3.17Å; H538-Y577 AromaticContact NE2-CZ 3.47Å; H538-Y577 PolarHBondContact NE2-OH 2.7Å; Y577-R585 PolarHBondContact OH-NH1 3.04Å
578	K	94.3	Very high	96.6	Very high	71 Å²	71	24.4 Å²	24.4	31%	0.309	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	106.6	176.4	-170.5	177.6	173.8	-156.7	0	108.6	A445 Y576 N580 D581 F582	A445-K578 VanDerWaalsContact CB-O 3.28Å; A445-K578 WeakPolarHBondContact CB-O 3.31Å; Y576-K578 HydrophobicContact CE1-CB 3.86Å; K578-N580 PolarHBondContact O-N 3.24Å; K578-D581 HydrophobicContact CB-CB 4.27Å; K578-D581 HydrophobicContact CD-CB 4.02Å; K578-D581 WeakPolarHBondContact CD-OD2 3.45Å; K578-D581 VanDerWaalsContact CE-OD2 3.28Å; K578-D581 WeakPolarHBondContact CE-OD2 3.4Å; K578-D581 HydrophobicContact CG-CB 3.99Å; K578-D581 IonicContact NZ-OD2 2.87Å; K578-D581 PolarHBondContact NZ-OD2 3.18Å; K578-D581 PolarHBondContact O-N 3.38Å; K578-F582 HydrophobicContact CB-CD1 4.45Å; K578-F582 HydrophobicContact CB-CE1 4.26Å; K578-F582 HydrophobicContact CB-CZ 4.34Å; K578-F582 HydrophobicContact CD-CD1 4.36Å; K578-F582 HydrophobicContact CD-CE1 3.74Å; K578-F582 HydrophobicContact CD-CZ 4.21Å; K578-F582 PolarHBondContact N-O 3.05Å; K578-F582 PolarHBondContact O-N 3.05Å
579	E	86.9	Confident	96.7	Very high	158 Å²	158	24.4 Å²	24.4	74%	0.738	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	134.9	-176.2	-158.3	-167.2	151.9	0	0	111.8	D581	E579-D581 PolarHBondContact O-N 2.68Å; E579-D581 VanDerWaalsContact O-N 3.15Å
580	N	86.4	Confident	96.7	Very high	125 Å²	125	24.4 Å²	24.4	67%	0.668	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	15	179.4	-54.4	-57.7	0	0	0	115.5	K578	K578-N580 PolarHBondContact O-N 3.24Å
581	D	93.9	Very high	96.7	Very high	61 Å²	61	24.4 Å²	24.4	33%	0.326	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-76.6	-176.2	-166.2	-3.6	0	0	0	112.2	G441 P442 K578 E579	G441-D581 CarbonylContact C-O 3.57Å; G441-D581 WeakPolarHBondContact CA-O 3.39Å; P442-D581 WeakPolarHBondContact CA-O 3.44Å; P442-D581 WeakPolarHBondContact CD-O 3.5Å; K578-D581 HydrophobicContact CB-CB 4.27Å; K578-D581 HydrophobicContact CD-CB 4.02Å; K578-D581 WeakPolarHBondContact CD-OD2 3.45Å; K578-D581 VanDerWaalsContact CE-OD2 3.28Å; K578-D581 WeakPolarHBondContact CE-OD2 3.4Å; K578-D581 HydrophobicContact CG-CB 3.99Å; K578-D581 IonicContact NZ-OD2 2.87Å; K578-D581 PolarHBondContact NZ-OD2 3.18Å; K578-D581 PolarHBondContact O-N 3.38Å; E579-D581 PolarHBondContact O-N 2.68Å; E579-D581 VanDerWaalsContact O-N 3.15Å
582	F	97	Very high	96.7	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	163	-179.5	66.3	-93.7	0	0	0	111.4	M464 M492 Q493 A496 Y576 K578 I584	M464-F582 HydrophobicContact CB-CB 4.33Å; M464-F582 HydrophobicContact CG-CB 4.49Å; M464-F582 HydrophobicContact SD-CB 4.12Å; M464-F582 HydrophobicContact SD-CD2 3.58Å; M464-F582 VanDerWaalsContact SD-CD2 3.58Å; M464-F582 HydrophobicContact SD-CE2 4.17Å; M464-F582 HydrophobicContact SD-CG 3.88Å; M492-F582 HydrophobicContact CG-CE1 4.26Å; M492-F582 HydrophobicContact CG-CZ 4.1Å; Q493-F582 HydrophobicContact CG-CD1 3.73Å; Q493-F582 HydrophobicContact CG-CD2 4.37Å; Q493-F582 HydrophobicContact CG-CE1 3.61Å; Q493-F582 HydrophobicContact CG-CE2 4.27Å; Q493-F582 HydrophobicContact CG-CG 4.13Å; Q493-F582 HydrophobicContact CG-CZ 3.9Å; A496-F582 HydrophobicContact CB-CE2 4.21Å; A496-F582 HydrophobicContact CB-CZ 4.32Å; Y576-F582 HydrophobicContact CD1-CE2 4.09Å; Y576-F582 HydrophobicContact CE1-CE2 4.16Å; Y576-F582 HydrophobicContact CE1-CZ 4.16Å; K578-F582 HydrophobicContact CB-CD1 4.45Å; K578-F582 HydrophobicContact CB-CE1 4.26Å; K578-F582 HydrophobicContact CB-CZ 4.34Å; K578-F582 HydrophobicContact CD-CD1 4.36Å; K578-F582 HydrophobicContact CD-CE1 3.74Å; K578-F582 HydrophobicContact CD-CZ 4.21Å; K578-F582 PolarHBondContact N-O 3.05Å; K578-F582 PolarHBondContact O-N 3.05Å; F582-I584 HydrophobicContact CD2-CD1 4.04Å; F582-I584 HydrophobicContact CD2-CG1 3.95Å; F582-I584 HydrophobicContact CE2-CD1 3.63Å; F582-I584 HydrophobicContact CE2-CG1 4.04Å
583	G	97.1	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157.3	168.1	0	0	0	0	0	112.2	A444 Y576	A444-G583 WeakPolarHBondContact O-CA 3.44Å; Y576-G583 CarbonylContact O-C 3.59Å; Y576-G583 WeakPolarHBondContact O-CA 3.49Å
584	I	98.6	Very high	96.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.4	-175.9	-57.3	171.3	0	0	0	107	M464 T483 A496 F497 V500 G575 Y576 F582 I586	M464-I584 HydrophobicContact CE-CD1 3.85Å; M464-I584 HydrophobicContact CE-CG1 3.62Å; M464-I584 HydrophobicContact SD-CD1 4.32Å; M464-I584 HydrophobicContact SD-CG1 4.21Å; T483-I584 HydrophobicContact CG2-CG1 4.45Å; A496-I584 HydrophobicContact CB-CD1 3.76Å; F497-I584 HydrophobicContact CB-CD1 3.88Å; F497-I584 HydrophobicContact CD2-CG2 3.76Å; F497-I584 HydrophobicContact CE2-CG2 4.45Å; F497-I584 HydrophobicContact CG-CG2 4.5Å; V500-I584 HydrophobicContact CB-CG2 4.13Å; V500-I584 HydrophobicContact CG1-CG2 4.1Å; V500-I584 HydrophobicContact CG2-CB 4.47Å; V500-I584 HydrophobicContact CG2-CG2 4.09Å; G575-I584 CarbonylContact C-O 3.51Å; G575-I584 WeakPolarHBondContact CA-O 3.4Å; Y576-I584 PolarHBondContact N-O 3.35Å; Y576-I584 PolarHBondContact O-N 3.22Å; F582-I584 HydrophobicContact CD2-CD1 4.04Å; F582-I584 HydrophobicContact CD2-CG1 3.95Å; F582-I584 HydrophobicContact CE2-CD1 3.63Å; F582-I584 HydrophobicContact CE2-CG1 4.04Å; I584-I586 HydrophobicContact CG2-CG1 4.4Å
585	R	98.7	Very high	96.6	Very high	6 Å²	6	28.2 Å²	28.2	2%	0.023	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	140.3	161.7	175.5	171	60.2	-106.8	12.5	108	A447 L466 D468 T481 T483 E573 Y577	A447-R585 PolarHBondContact O-NH1 2.98Å; L466-R585 HydrophobicContact CD1-CB 3.96Å; D468-R585 VanDerWaalsContact CG-NH2 3.31Å; D468-R585 IonicContact OD2-CZ 3.54Å; D468-R585 IonicContact OD2-NE 3.84Å; D468-R585 PolarHBondContact OD2-NE 2.94Å; D468-R585 IonicContact OD2-NH2 2.65Å; D468-R585 PolarHBondContact OD2-NH2 3.19Å; T481-R585 HydrophobicContact CG2-CB 3.73Å; T481-R585 HydrophobicContact CG2-CG 3.86Å; T481-R585 WeakPolarHBondContact CG2-O 3.38Å; T481-R585 PolarHBondContact OG1-NE 3.19Å; T483-R585 PolarHBondContact OG1-N 3.15Å; T483-R585 PolarHBondContact OG1-O 2.98Å; E573-R585 HydrophobicContact CB-CG 4.35Å; Y577-R585 PolarHBondContact OH-NH1 3.04Å
586	I	98.8	Very high	96.5	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.185	C	C	.	.			trans	-127.2	109.8	176.9	-61.9	178.1	0	0	0	106	F497 V500 L501 N504 E573 P574 I584 Y614	F497-I586 HydrophobicContact CD1-CD1 4.37Å; F497-I586 HydrophobicContact CD2-CD1 4.2Å; F497-I586 HydrophobicContact CE1-CD1 3.94Å; F497-I586 HydrophobicContact CE2-CD1 3.76Å; F497-I586 HydrophobicContact CE2-CG1 4.09Å; F497-I586 HydrophobicContact CG-CD1 4.49Å; F497-I586 HydrophobicContact CZ-CD1 3.62Å; F497-I586 HydrophobicContact CZ-CG1 4.28Å; V500-I586 HydrophobicContact CB-CD1 4.38Å; V500-I586 HydrophobicContact CG1-CB 4.1Å; V500-I586 HydrophobicContact CG1-CD1 3.98Å; V500-I586 HydrophobicContact CG1-CG1 3.92Å; L501-I586 HydrophobicContact CB-CD1 3.61Å; L501-I586 HydrophobicContact CD1-CD1 4.13Å; L501-I586 HydrophobicContact CD1-CG2 4.37Å; L501-I586 HydrophobicContact CG-CD1 4.41Å; N504-I586 HydrophobicContact CB-CG2 4.38Å; N504-I586 PolarHBondContact ND2-O 3.36Å; E573-I586 VanDerWaalsContact CA-O 3.31Å; E573-I586 WeakPolarHBondContact CA-O 3.26Å; P574-I586 WeakPolarHBondContact CD-O 3.38Å; P574-I586 PolarHBondContact O-N 3.03Å; P574-I586 VanDerWaalsContact O-N 3.13Å; I584-I586 HydrophobicContact CG2-CG1 4.4Å; I586-Y614 HydrophobicContact CG2-CD1 3.88Å; I586-Y614 HydrophobicContact CG2-CE1 3.38Å
587	E	98.8	Very high	96.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.194	C	C	.	.			trans	-125	130.9	-173.2	169.4	170.5	-135	0	0	111.8	T481 R482 H542 S571 I572 E573	T481-E587 PolarHBondContact N-OE2 3.13Å; T481-E587 PolarHBondContact O-N 2.84Å; T481-E587 PolarHBondContact OG1-OE2 3.23Å; R482-E587 PolarHBondContact NH1-O 3.14Å; H542-E587 IonicContact NE2-OE1 2.78Å; S571-E587 WeakPolarHBondContact CB-OE1 3.5Å; I572-E587 VanDerWaalsContact O-CA 3.31Å; I572-E587 WeakPolarHBondContact O-CA 3.49Å; E573-E587 HydrophobicContact CB-CB 3.57Å; E573-E587 HydrophobicContact CB-CG 3.71Å
588	D	98.6	Very high	96.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.5	172.9	-58.7	-73.3	0	0	0	110.1	R482 N504 S571 I572 T608 S610 Y614	R482-D588 IonicContact CZ-OD1 2.81Å; R482-D588 IonicContact NH1-OD1 3.66Å; R482-D588 PolarHBondContact NH1-OD1 3.07Å; R482-D588 IonicContact NH2-OD1 3.95Å; R482-D588 PolarHBondContact NH2-OD1 3.24Å; N504-D588 PolarHBondContact ND2-OD2 3.33Å; S571-D588 CarbonylContact C-O 3.22Å; S571-D588 WeakPolarHBondContact CA-O 3.43Å; I572-D588 PolarHBondContact N-O 3.33Å; I572-D588 PolarHBondContact O-N 3.04Å; I572-D588 VanDerWaalsContact O-N 3.15Å; D588-T608 HydrophobicContact CB-CG2 3.91Å; D588-S610 WeakPolarHBondContact OD1-CB 3.28Å; D588-Y614 PolarHBondContact OD2-OH 2.72Å
589	V	98.8	Very high	96.5	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	138	166.6	-178.2	0	0	0	0	108	H387 D479 V544 F569 T570 V609 S610	H387-V589 WeakPolarHBondContact NE2-CB 3.41Å; D479-V589 HydrophobicContact CB-CG2 4.14Å; D479-V589 WeakPolarHBondContact O-CG2 3.44Å; V544-V589 HydrophobicContact CB-CG1 4.37Å; V544-V589 HydrophobicContact CG2-CG1 4.15Å; V544-V589 HydrophobicContact CG2-CG2 3.97Å; F569-V589 HydrophobicContact CB-CG1 4.49Å; F569-V589 HydrophobicContact CD1-CG1 3.82Å; T570-V589 WeakPolarHBondContact O-CA 3.14Å; V589-V609 HydrophobicContact CB-CG2 3.64Å; V589-V609 HydrophobicContact CG1-CG2 3.57Å; V589-V609 WeakPolarHBondContact O-CG2 3.32Å; V589-V609 PolarHBondContact O-N 2.92Å; V589-S610 PolarHBondContact N-OG 2.85Å; V589-S610 PolarHBondContact O-N 3.34Å
590	V	98.7	Very high	96.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153.7	177	-53.5	0	0	0	0	110.5	F569 T570 I572 F606 E607	F569-V590 CarbonylContact C-O 3.55Å; F569-V590 VanDerWaalsContact CA-O 3.3Å; F569-V590 WeakPolarHBondContact CA-O 3.38Å; T570-V590 HydrophobicContact CG2-CG2 3.57Å; T570-V590 PolarHBondContact N-O 2.86Å; T570-V590 WeakPolarHBondContact O-CG2 3.25Å; T570-V590 PolarHBondContact O-N 3.39Å; I572-V590 HydrophobicContact CD1-CB 4.39Å; I572-V590 HydrophobicContact CD1-CG1 3.7Å; I572-V590 HydrophobicContact CD1-CG2 3.73Å; I572-V590 HydrophobicContact CG1-CG1 4.29Å; I572-V590 HydrophobicContact CG1-CG2 4.03Å; V590-F606 HydrophobicContact CB-CB 3.97Å; V590-F606 HydrophobicContact CB-CD1 4.39Å; V590-F606 HydrophobicContact CG1-CB 4.38Å; V590-F606 HydrophobicContact CG2-CB 3.89Å; V590-F606 HydrophobicContact CG2-CD1 3.44Å; V590-F606 VanDerWaalsContact CG2-CD1 3.44Å; V590-F606 HydrophobicContact CG2-CE1 4.25Å; V590-F606 HydrophobicContact CG2-CG 3.94Å; V590-E607 CarbonylContact C-O 3.51Å; V590-E607 VanDerWaalsContact CA-O 3.22Å; V590-E607 WeakPolarHBondContact CA-O 3.38Å; V590-E607 WeakPolarHBondContact CB-O 3.25Å
591	V	98.6	Very high	96.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.1	170.5	57.1	0	0	0	0	110	M568 F569 V593 F606 E607 V609	M568-V591 WeakPolarHBondContact O-CA 3.39Å; F569-V591 HydrophobicContact CD1-CB 4.12Å; F569-V591 HydrophobicContact CD2-CB 4.08Å; F569-V591 HydrophobicContact CD2-CG2 3.85Å; F569-V591 HydrophobicContact CE1-CB 3.88Å; F569-V591 HydrophobicContact CE1-CG2 4.47Å; F569-V591 HydrophobicContact CE2-CB 3.83Å; F569-V591 HydrophobicContact CE2-CG2 3.51Å; F569-V591 HydrophobicContact CG-CB 4.23Å; F569-V591 HydrophobicContact CG-CG2 4.46Å; F569-V591 HydrophobicContact CZ-CB 3.73Å; F569-V591 HydrophobicContact CZ-CG1 4.38Å; F569-V591 HydrophobicContact CZ-CG2 3.86Å; V591-V593 HydrophobicContact CG1-CG1 4.15Å; V591-V593 HydrophobicContact CG2-CG1 4.49Å; V591-F606 WeakPolarHBondContact O-CA 3.47Å; V591-E607 HydrophobicContact CG1-CB 3.82Å; V591-E607 HydrophobicContact CG1-CG 4.3Å; V591-E607 PolarHBondContact N-O 3.34Å; V591-E607 PolarHBondContact O-N 2.91Å; V591-V609 HydrophobicContact CB-CG1 4.48Å; V591-V609 HydrophobicContact CG1-CG1 3.9Å
592	I	98.6	Very high	96.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	124.7	178.2	-66.9	77.4	0	0	0	108.4	F512 F564 R565 E566 G567 M568 T570 L604 T605 F606	F512-I592 HydrophobicContact CZ-CG2 4.29Å; F564-I592 HydrophobicContact CB-CG1 4.27Å; F564-I592 HydrophobicContact CD1-CD1 4.11Å; F564-I592 HydrophobicContact CD1-CG1 4.27Å; F564-I592 HydrophobicContact CE1-CD1 4.43Å; F564-I592 HydrophobicContact CG-CG1 4.26Å; R565-I592 WeakPolarHBondContact O-CB 3.49Å; R565-I592 WeakPolarHBondContact O-CG2 3.49Å; E566-I592 WeakPolarHBondContact CA-O 3.46Å; G567-I592 PolarHBondContact N-O 2.97Å; M568-I592 HydrophobicContact CB-CD1 3.88Å; M568-I592 WeakPolarHBondContact O-CD1 3.48Å; M568-I592 PolarHBondContact O-N 3.26Å; T570-I592 HydrophobicContact CG2-CD1 3.89Å; I592-L604 HydrophobicContact CG2-CB 3.89Å; I592-L604 HydrophobicContact CG2-CD1 3.82Å; I592-L604 HydrophobicContact CG2-CD2 4.19Å; I592-L604 HydrophobicContact CG2-CG 4.17Å; I592-T605 WeakPolarHBondContact CA-O 3.38Å; I592-F606 HydrophobicContact CD1-CD1 4.11Å; I592-F606 HydrophobicContact CD1-CE1 4Å; I592-F606 HydrophobicContact CG1-CD1 3.84Å; I592-F606 HydrophobicContact CG1-CE1 3.72Å
593	V	98.4	Very high	96.8	Very high	25 Å²	25	52.7 Å²	52.7	15%	0.152	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	157.8	-176.6	-61.1	0	0	0	0	111.5	V591 L604 T605 E607	V591-V593 HydrophobicContact CG1-CG1 4.15Å; V591-V593 HydrophobicContact CG2-CG1 4.49Å; V593-L604 CarbonylContact O-C 2.91Å; V593-L604 VanDerWaalsContact O-CA 3.25Å; V593-L604 WeakPolarHBondContact O-CA 3.25Å; V593-T605 HydrophobicContact CG2-CG2 3.67Å; V593-T605 PolarHBondContact N-O 2.95Å; V593-T605 PolarHBondContact O-N 2.86Å; V593-E607 HydrophobicContact CG1-CB 4.1Å; V593-E607 HydrophobicContact CG2-CB 4.14Å
594	P	97.8	Very high	96.9	Very high	68 Å²	68	53 Å²	53	44%	0.442	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	141.3	174.1	-23.6	35.7	0	0	0	112.2	E566	E566-P594 HydrophobicContact CG-CG 4.21Å; E566-P594 WeakPolarHBondContact OE1-CD 3.27Å; E566-P594 VanDerWaalsContact OE1-CG 3.24Å; E566-P594 WeakPolarHBondContact OE1-CG 3.39Å; E566-P594 WeakPolarHBondContact OE2-CG 3.3Å
595	A	97.6	Very high	96.9	Very high	11 Å²	11	54.3 Å²	54.3	9%	0.091	26%	0.264	C	S	.	.			trans	-111.8	130.4	175.2	0	0	0	0	0	111.1	I511 Y603 T605	I511-A595 HydrophobicContact CG1-CB 4.23Å; I511-A595 HydrophobicContact CG2-CB 3.76Å; A595-Y603 PolarHBondContact N-O 3.25Å; A595-T605 HydrophobicContact CB-CG2 3.94Å
596	H	94.9	Very high	96.9	Very high	190 Å²	190	54.7 Å²	54.7	88%	0.88	27%	0.265	S	S	*	.			trans	-78.4	123.4	170.6	-66.6	-57.7	0	0	0	110.4
597	T	96.4	Very high	96.9	Very high	45 Å²	45	58.4 Å²	58.4	28%	0.276	28%	0.283	S	S	.	.			trans	-121.6	160.7	175.5	83.4	0	0	0	0	111.4	I511 Y599 G600 Y603	I511-T597 HydrophobicContact CG2-CG2 3.83Å; T597-Y599 VanDerWaalsContact C-N 3.31Å; T597-Y599 PolarHBondContact O-N 3.14Å; T597-G600 WeakPolarHBondContact OG1-CA 3.16Å; T597-G600 PolarHBondContact OG1-N 3.22Å; T597-G600 PolarHBondContact OG1-O 3.29Å; T597-Y603 HydrophobicContact CG2-CD1 4.1Å; T597-Y603 HydrophobicContact CG2-CD2 3.89Å; T597-Y603 HydrophobicContact CG2-CG 3.6Å
598	K	95.9	Very high	96.8	Very high	172 Å²	172	59.5 Å²	59.5	75%	0.748	29%	0.289	S	S	*	.	S	Bend	trans	-64.5	-32.4	-177.1	-174.1	175.8	178.6	-168.8	0	113.8
599	Y	95.6	Very high	96.8	Very high	186 Å²	186	59.8 Å²	59.8	73%	0.729	29%	0.291	S	S	*	.	S	Bend	trans	-127.3	-24.1	-169.2	-57.7	-66.1	0	0	0	114.4	T597	T597-Y599 VanDerWaalsContact C-N 3.31Å; T597-Y599 PolarHBondContact O-N 3.14Å
600	G	90.8	Very high	96.8	Very high	19 Å²	19	59.9 Å²	59.9	20%	0.196	29%	0.292	C	S	.	.			trans	-117	151.8	-176.4	0	0	0	0	0	112.9	T597	T597-G600 WeakPolarHBondContact OG1-CA 3.16Å; T597-G600 PolarHBondContact OG1-N 3.22Å; T597-G600 PolarHBondContact OG1-O 3.29Å
601	H	87.4	Confident	96.7	Very high	188 Å²	188	60.1 Å²	60.1	87%	0.87	29%	0.293	S	S	*	.	S	Bend	trans	-112.6	1.6	-174.5	-55.7	-61.4	0	0	0	114.3
602	N	95	Very high	96.7	Very high	107 Å²	107	60.1 Å²	60.1	57%	0.572	29%	0.293	S	S	*	.			trans	-127.8	61.9	-176.9	-168	22.4	0	0	0	111.9	S514	S514-N602 WeakPolarHBondContact CB-OD1 3.26Å; S514-N602 PolarHBondContact N-O 2.98Å
603	Y	98.1	Very high	96.7	Very high	88 Å²	88	60.3 Å²	60.3	35%	0.345	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	153.4	179.1	-77.9	-103.7	0	0	0	110	I511 F512 P513 A595 T597	I511-Y603 HydrophobicContact CG2-CD1 3.82Å; I511-Y603 HydrophobicContact CG2-CG 4.28Å; F512-Y603 CarbonylContact O-C 3.46Å; F512-Y603 VanDerWaalsContact O-CA 3.29Å; F512-Y603 WeakPolarHBondContact O-CA 3.36Å; F512-Y603 WeakPolarHBondContact O-CD1 3.44Å; P513-Y603 HydrophobicContact CB-CD1 4.44Å; P513-Y603 HydrophobicContact CB-CE1 4.15Å; A595-Y603 PolarHBondContact N-O 3.25Å; T597-Y603 HydrophobicContact CG2-CD1 4.1Å; T597-Y603 HydrophobicContact CG2-CD2 3.89Å; T597-Y603 HydrophobicContact CG2-CG 3.6Å
604	L	98.6	Very high	96.7	Very high	7 Å²	7	59.3 Å²	59.3	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	159.4	180	-59.1	172.7	0	0	0	109.2	I511 F512 E566 I592 V593	I511-L604 WeakPolarHBondContact CA-O 3.3Å; F512-L604 HydrophobicContact CD2-CB 4.09Å; F512-L604 HydrophobicContact CE1-CB 4.35Å; F512-L604 HydrophobicContact CE2-CB 3.57Å; F512-L604 HydrophobicContact CE2-CD1 4.01Å; F512-L604 HydrophobicContact CE2-CG 4.38Å; F512-L604 HydrophobicContact CZ-CB 3.71Å; F512-L604 PolarHBondContact N-O 2.88Å; F512-L604 PolarHBondContact O-N 3.13Å; E566-L604 HydrophobicContact CB-CD2 4.24Å; I592-L604 HydrophobicContact CG2-CB 3.89Å; I592-L604 HydrophobicContact CG2-CD1 3.82Å; I592-L604 HydrophobicContact CG2-CD2 4.19Å; I592-L604 HydrophobicContact CG2-CG 4.17Å; V593-L604 CarbonylContact O-C 2.91Å; V593-L604 VanDerWaalsContact O-CA 3.25Å; V593-L604 WeakPolarHBondContact O-CA 3.25Å
605	T	98.5	Very high	96.7	Very high	27 Å²	27	57.1 Å²	57.1	17%	0.166	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	177.8	170.6	-171	0	0	0	0	108.5	T510 I592 V593 A595	T510-T605 PolarHBondContact O-OG1 2.89Å; I592-T605 WeakPolarHBondContact CA-O 3.38Å; V593-T605 HydrophobicContact CG2-CG2 3.67Å; V593-T605 PolarHBondContact N-O 2.95Å; V593-T605 PolarHBondContact O-N 2.86Å; A595-T605 HydrophobicContact CB-CG2 3.94Å
606	F	98.4	Very high	96.7	Very high	13 Å²	13	60 Å²	60	6%	0.057	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144.7	174.6	-53.4	-80.3	0	0	0	111.6	I507 F512 M521 F564 T570 I572 V590 V591 I592	I507-F606 HydrophobicContact CG2-CD2 4.41Å; I507-F606 HydrophobicContact CG2-CE2 3.9Å; I507-F606 HydrophobicContact CG2-CZ 4.33Å; I507-F606 WeakPolarHBondContact O-CD2 3.45Å; I507-F606 WeakPolarHBondContact O-CE2 3.21Å; F512-F606 HydrophobicContact CD1-CE2 4.11Å; F512-F606 HydrophobicContact CD1-CZ 4.48Å; F512-F606 AromaticContact CE1-CD2 3.9Å; F512-F606 HydrophobicContact CE1-CD2 3.9Å; F512-F606 HydrophobicContact CE1-CE1 4.19Å; F512-F606 AromaticContact CE1-CE2 3.34Å; F512-F606 HydrophobicContact CE1-CE2 3.34Å; F512-F606 AromaticContact CE1-CZ 3.5Å; F512-F606 HydrophobicContact CE1-CZ 3.5Å; F512-F606 HydrophobicContact CZ-CE1 4.1Å; F512-F606 HydrophobicContact CZ-CE2 4.06Å; F512-F606 AromaticContact CZ-CZ 3.73Å; F512-F606 HydrophobicContact CZ-CZ 3.73Å; M521-F606 HydrophobicContact CE-CZ 4.36Å; M521-F606 HydrophobicContact SD-CE2 4.49Å; F564-F606 HydrophobicContact CD2-CE1 4.42Å; F564-F606 HydrophobicContact CD2-CZ 4.28Å; F564-F606 HydrophobicContact CE2-CE1 4.18Å; F564-F606 AromaticContact CE2-CZ 3.97Å; F564-F606 HydrophobicContact CE2-CZ 3.97Å; T570-F606 HydrophobicContact CG2-CD1 4.48Å; T570-F606 HydrophobicContact CG2-CE1 4.17Å; I572-F606 HydrophobicContact CD1-CG 4.45Å; V590-F606 HydrophobicContact CB-CB 3.97Å; V590-F606 HydrophobicContact CB-CD1 4.39Å; V590-F606 HydrophobicContact CG1-CB 4.38Å; V590-F606 HydrophobicContact CG2-CB 3.89Å; V590-F606 HydrophobicContact CG2-CD1 3.44Å; V590-F606 VanDerWaalsContact CG2-CD1 3.44Å; V590-F606 HydrophobicContact CG2-CE1 4.25Å; V590-F606 HydrophobicContact CG2-CG 3.94Å; V591-F606 WeakPolarHBondContact O-CA 3.47Å; I592-F606 HydrophobicContact CD1-CD1 4.11Å; I592-F606 HydrophobicContact CD1-CE1 4Å; I592-F606 HydrophobicContact CG1-CD1 3.84Å; I592-F606 HydrophobicContact CG1-CE1 3.72Å
607	E	98.3	Very high	96.7	Very high	79 Å²	79	55.3 Å²	55.3	37%	0.369	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120	168	178.5	-161.8	147.2	0	0	108.1	R384 V590 V591 V593	R384-E607 IonicContact CZ-OE1 3.37Å; R384-E607 IonicContact CZ-OE2 3.53Å; R384-E607 IonicContact NE-OE1 3.39Å; R384-E607 PolarHBondContact NE-OE1 3.36Å; R384-E607 IonicContact NE-OE2 2.67Å; R384-E607 IonicContact NH2-OE1 2.69Å; R384-E607 PolarHBondContact NH2-OE1 3.42Å; R384-E607 IonicContact NH2-OE2 2.71Å; R384-E607 PolarHBondContact NH2-OE2 3.25Å; V590-E607 CarbonylContact C-O 3.51Å; V590-E607 VanDerWaalsContact CA-O 3.22Å; V590-E607 WeakPolarHBondContact CA-O 3.38Å; V590-E607 WeakPolarHBondContact CB-O 3.25Å; V591-E607 HydrophobicContact CG1-CB 3.82Å; V591-E607 HydrophobicContact CG1-CG 4.3Å; V591-E607 PolarHBondContact N-O 3.34Å; V591-E607 PolarHBondContact O-N 2.91Å; V593-E607 HydrophobicContact CG1-CB 4.1Å; V593-E607 HydrophobicContact CG2-CB 4.14Å
608	T	98.3	Very high	96.8	Very high	24 Å²	24	53.2 Å²	53.2	15%	0.147	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.8	-178.8	-53.8	0	0	0	0	111.9	D588 Y635	D588-T608 HydrophobicContact CB-CG2 3.91Å; T608-Y635 HydrophobicContact CG2-CD2 4.32Å; T608-Y635 HydrophobicContact CG2-CE2 3.75Å
609	V	97.8	Very high	96.9	Very high	6 Å²	6	45.6 Å²	45.6	4%	0.036	21%	0.212	C	C	.	.			trans	-107.4	-18.6	178.3	-55.3	0	0	0	0	113.4	R384 H387 F569 V589 V591 L611	R384-V609 HydrophobicContact CG-CB 4.5Å; R384-V609 HydrophobicContact CG-CG1 3.83Å; H387-V609 HydrophobicContact CB-CB 4.47Å; H387-V609 HydrophobicContact CB-CG2 4.47Å; H387-V609 VanDerWaalsContact CB-O 3.32Å; H387-V609 WeakPolarHBondContact CB-O 2.97Å; F569-V609 HydrophobicContact CD1-CG2 4.31Å; F569-V609 HydrophobicContact CE1-CG1 3.96Å; F569-V609 HydrophobicContact CE1-CG2 4.06Å; V589-V609 HydrophobicContact CB-CG2 3.64Å; V589-V609 HydrophobicContact CG1-CG2 3.57Å; V589-V609 WeakPolarHBondContact O-CG2 3.32Å; V589-V609 PolarHBondContact O-N 2.92Å; V591-V609 HydrophobicContact CB-CG1 4.48Å; V591-V609 HydrophobicContact CG1-CG1 3.9Å; V609-L611 WeakPolarHBondContact O-CG 3.37Å
610	S	98.1	Very high	97.1	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	19%	0.189	C	C	.	.			trans	-74.6	124.8	171.5	-65.6	0	0	0	0	111.1	D588 V589 Y635	D588-S610 WeakPolarHBondContact OD1-CB 3.28Å; V589-S610 PolarHBondContact N-OG 2.85Å; V589-S610 PolarHBondContact O-N 3.34Å; S610-Y635 VanDerWaalsContact O-CE2 3.25Å; S610-Y635 WeakPolarHBondContact O-CE2 3.35Å; S610-Y635 PolarHBondContact O-OH 3.34Å
611	L	98.3	Very high	97.4	Very high	5 Å²	5	41 Å²	41	3%	0.026	20%	0.199	C	C	.	.			trans	-120.4	47.8	-167	-63.9	168.1	0	0	0	113.8	V388 A391 V609 T638 I639 L642 M643	V388-L611 HydrophobicContact CG2-CD1 3.65Å; A391-L611 HydrophobicContact CB-CB 4.17Å; V609-L611 WeakPolarHBondContact O-CG 3.37Å; L611-T638 HydrophobicContact CD2-CG2 4.03Å; L611-I639 HydrophobicContact CB-CG1 4.25Å; L611-I639 HydrophobicContact CD2-CG1 4.16Å; L611-L642 HydrophobicContact CD1-CB 3.93Å; L611-L642 HydrophobicContact CD1-CD1 3.77Å; L611-L642 HydrophobicContact CD2-CD1 4.13Å; L611-M643 HydrophobicContact CB-CG 3.84Å; L611-M643 HydrophobicContact CB-SD 3.9Å; L611-M643 HydrophobicContact CD1-SD 4.11Å
612	V	98.6	Very high	97.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.			trans	-120.6	129.1	178.9	-178.6	0	0	0	0	110	A391 V394 L398 I480 R482 Y635	A391-V612 HydrophobicContact CB-CG2 3.86Å; V394-V612 HydrophobicContact CB-CG2 3.94Å; V394-V612 HydrophobicContact CG1-CB 4.5Å; V394-V612 HydrophobicContact CG1-CG1 3.9Å; V394-V612 HydrophobicContact CG1-CG2 3.98Å; L398-V612 HydrophobicContact CD1-CG1 3.72Å; I480-V612 HydrophobicContact CD1-CB 3.77Å; I480-V612 HydrophobicContact CD1-CG2 3.53Å; R482-V612 HydrophobicContact CG-CB 4.49Å; R482-V612 HydrophobicContact CG-CG1 4Å; R482-V612 VanDerWaalsContact CZ-O 3.29Å; R482-V612 PolarHBondContact NE-O 3.08Å; R482-V612 PolarHBondContact NH2-O 3.37Å; V612-Y635 PolarHBondContact N-OH 3.2Å; V612-Y635 PolarHBondContact O-OH 3.42Å; V612-Y635 VanDerWaalsContact O-OH 3.07Å
613	P	98.3	Very high	98	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.032	18%	0.176	C	C	.	.			trans	-64.5	147.9	-177.9	26.8	-34.6	0	0	0	112.5	Y636 I639 W658 H662 T663	P613-Y636 HydrophobicContact CB-CE1 4.2Å; P613-I639 HydrophobicContact CB-CD1 4.49Å; P613-W658 HydrophobicContact CG-CH2 4.22Å; P613-W658 HydrophobicContact CG-CZ3 3.96Å; P613-H662 HydrophobicContact CB-CB 4.24Å; P613-H662 HydrophobicContact CG-CB 3.95Å; P613-T663 HydrophobicContact CB-CG2 4Å; P613-T663 HydrophobicContact CG-CG2 4.37Å
614	Y	98.6	Very high	98	Very high	3 Å²	3	30.7 Å²	30.7	1%	0.012	16%	0.163	C	C	.	.			trans	-76.5	152.1	168.2	-48.9	-57.4	0	0	0	111.4	L501 I586 D588 R616 W631 L632 Y635 Y636	L501-Y614 HydrophobicContact CD1-CD1 4.45Å; L501-Y614 HydrophobicContact CD1-CD2 3.63Å; L501-Y614 HydrophobicContact CD1-CE1 4.33Å; L501-Y614 HydrophobicContact CD1-CE2 3.47Å; L501-Y614 VanDerWaalsContact CD1-CE2 3.47Å; L501-Y614 HydrophobicContact CD1-CG 4.13Å; L501-Y614 HydrophobicContact CD2-CD2 4.31Å; I586-Y614 HydrophobicContact CG2-CD1 3.88Å; I586-Y614 HydrophobicContact CG2-CE1 3.38Å; D588-Y614 PolarHBondContact OD2-OH 2.72Å; Y614-R616 PolarHBondContact O-N 3.14Å; Y614-R616 VanDerWaalsContact O-N 3.14Å; Y614-W631 HydrophobicContact CE2-CZ3 4.3Å; Y614-L632 HydrophobicContact CD2-CD1 3.59Å; Y614-L632 HydrophobicContact CE2-CD1 3.78Å; Y614-Y635 HydrophobicContact CD2-CE1 4.34Å; Y614-Y635 AromaticContact CE2-CD1 3.92Å; Y614-Y635 HydrophobicContact CE2-CD1 3.92Å; Y614-Y635 AromaticContact CE2-CE1 3.75Å; Y614-Y635 HydrophobicContact CE2-CE1 3.75Å; Y614-Y635 AromaticContact CZ-CE1 3.9Å; Y614-Y636 HydrophobicContact CD2-CE1 4.31Å; Y614-Y636 PolarHBondContact O-OH 2.63Å
615	D	97.9	Very high	97.9	Very high	22 Å²	22	32 Å²	32	12%	0.118	17%	0.172	C	C	.	.			trans	-69.7	112	176.7	-169.4	-20.7	0	0	0	111.3	V484 H485 K617 L618	V484-D615 WeakPolarHBondContact CA-OD2 3.44Å; V484-D615 HydrophobicContact CB-CB 4.24Å; V484-D615 WeakPolarHBondContact CB-OD2 3.46Å; V484-D615 HydrophobicContact CG1-CB 4.14Å; H485-D615 PolarHBondContact N-OD2 2.94Å; D615-K617 PolarHBondContact O-N 2.63Å; D615-K617 WeakPolarHBondContact OD1-CB 3.37Å; D615-K617 PolarHBondContact OD1-N 3.05Å; D615-L618 HydrophobicContact CB-CD1 4.12Å; D615-L618 HydrophobicContact CB-CG 4.45Å; D615-L618 PolarHBondContact O-N 2.98Å
616	R	96	Very high	97.9	Very high	71 Å²	71	34.8 Å²	34.8	27%	0.268	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-62.8	-26	-178.4	-61.4	178.4	61.9	82.6	-4.4	113.6	Y614 L618 I619 V664 F666	Y614-R616 PolarHBondContact O-N 3.14Å; Y614-R616 VanDerWaalsContact O-N 3.14Å; R616-L618 PolarHBondContact O-N 2.94Å; R616-I619 PolarHBondContact O-N 3.04Å; R616-V664 PolarHBondContact NH1-O 3.05Å; R616-F666 HydrophobicContact CB-CZ 4.42Å; R616-F666 HydrophobicContact CG-CZ 3.99Å
617	K	96.1	Very high	97.8	Very high	93 Å²	93	39.3 Å²	39.3	40%	0.404	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-67.4	-26.9	-179.8	-65.6	176.3	-173.3	168	0	112.1	H485 W486 P489 D615	H485-K617 WeakPolarHBondContact O-CD 3.39Å; H485-K617 PolarHBondContact O-NZ 3.37Å; W486-K617 PolarHBondContact O-NZ 3.43Å; P489-K617 HydrophobicContact CG-CB 4.43Å; D615-K617 PolarHBondContact O-N 2.63Å; D615-K617 WeakPolarHBondContact OD1-CB 3.37Å; D615-K617 PolarHBondContact OD1-N 3.05Å
618	L	98.4	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-86.7	-9.1	-178.6	-66.7	172.5	0	0	0	113.3	M464 H485 P489 K494 F497 T498 D615 R616	M464-L618 HydrophobicContact CE-CD1 3.66Å; M464-L618 HydrophobicContact CE-CD2 3.76Å; M464-L618 HydrophobicContact CE-CG 4.37Å; H485-L618 HydrophobicContact CB-CD1 4.41Å; H485-L618 HydrophobicContact CB-CD2 3.98Å; H485-L618 HydrophobicContact CB-CG 4.23Å; P489-L618 HydrophobicContact CB-CD2 3.59Å; P489-L618 HydrophobicContact CG-CD2 4.03Å; K494-L618 WeakPolarHBondContact CA-O 3.4Å; F497-L618 HydrophobicContact CB-CB 3.96Å; F497-L618 HydrophobicContact CD1-CB 3.47Å; F497-L618 VanDerWaalsContact CD1-CB 3.47Å; F497-L618 HydrophobicContact CD2-CB 3.87Å; F497-L618 HydrophobicContact CD2-CD1 3.57Å; F497-L618 HydrophobicContact CD2-CG 4.3Å; F497-L618 HydrophobicContact CE1-CB 3.86Å; F497-L618 HydrophobicContact CE2-CB 4.2Å; F497-L618 HydrophobicContact CE2-CD1 3.68Å; F497-L618 HydrophobicContact CG-CB 3.49Å; F497-L618 VanDerWaalsContact CG-CB 3.49Å; F497-L618 HydrophobicContact CG-CD1 4.09Å; F497-L618 HydrophobicContact CG-CG 4.33Å; F497-L618 HydrophobicContact CZ-CB 4.2Å; F497-L618 HydrophobicContact CZ-CD1 4.3Å; T498-L618 PolarHBondContact OG1-O 2.93Å; D615-L618 HydrophobicContact CB-CD1 4.12Å; D615-L618 HydrophobicContact CB-CG 4.45Å; D615-L618 PolarHBondContact O-N 2.98Å; R616-L618 PolarHBondContact O-N 2.94Å
619	I	98.6	Very high	97.8	Very high	12 Å²	12	35.7 Å²	35.7	6%	0.062	19%	0.194	C	C	.	.			trans	-93.5	116.7	-175.2	-61.8	170.6	0	0	0	110.3	F497 L501 R616 T621 M624 L632 F666	F497-I619 HydrophobicContact CD1-CG1 4.08Å; F497-I619 HydrophobicContact CE1-CD1 4.3Å; F497-I619 HydrophobicContact CE1-CG1 3.65Å; L501-I619 HydrophobicContact CD2-CD1 3.63Å; L501-I619 HydrophobicContact CD2-CG1 3.81Å; R616-I619 PolarHBondContact O-N 3.04Å; I619-T621 HydrophobicContact CG2-CG2 4.25Å; I619-M624 HydrophobicContact CG2-SD 3.61Å; I619-L632 HydrophobicContact CD1-CD2 4.18Å; I619-F666 HydrophobicContact CB-CE1 4.42Å; I619-F666 HydrophobicContact CB-CZ 4.43Å; I619-F666 HydrophobicContact CD1-CE2 4.44Å; I619-F666 HydrophobicContact CD1-CZ 3.72Å; I619-F666 HydrophobicContact CG2-CE1 4.2Å; I619-F666 HydrophobicContact CG2-CZ 4.31Å
620	D	98.3	Very high	97.7	Very high	45 Å²	45	40.6 Å²	40.6	24%	0.241	22%	0.217	C	C	.	.			trans	-93	96.8	167.6	-170.8	-14.7	0	0	0	110.5	T498 S622 L623	T498-D620 WeakPolarHBondContact CG2-O 3.29Å; T498-D620 PolarHBondContact OG1-N 3.17Å; D620-S622 VanDerWaalsContact CG-OG 3.28Å; D620-S622 PolarHBondContact O-N 2.79Å; D620-S622 VanDerWaalsContact OD1-CB 3.3Å; D620-S622 WeakPolarHBondContact OD1-CB 3.09Å; D620-S622 PolarHBondContact OD1-N 2.67Å; D620-S622 PolarHBondContact OD1-OG 3.04Å; D620-S622 PolarHBondContact OD2-OG 2.78Å; D620-L623 HydrophobicContact CB-CD1 4.23Å; D620-L623 HydrophobicContact CB-CG 4.33Å; D620-L623 PolarHBondContact O-N 3.06Å; D620-L623 VanDerWaalsContact O-N 3.14Å
621	T	97.6	Very high	97.7	Very high	65 Å²	65	42.5 Å²	42.5	40%	0.399	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-62.2	-16.7	-178.7	57.7	0	0	0	0	113.7	I619 L623 M624 L629 F666	I619-T621 HydrophobicContact CG2-CG2 4.25Å; T621-L623 VanDerWaalsContact C-N 3.26Å; T621-L623 PolarHBondContact O-N 3.08Å; T621-M624 PolarHBondContact O-N 2.85Å; T621-L629 HydrophobicContact CG2-CD2 3.93Å; T621-F666 HydrophobicContact CG2-CD1 3.55Å; T621-F666 HydrophobicContact CG2-CE1 4Å; T621-F666 HydrophobicContact CG2-CG 4.39Å
622	S	97.4	Very high	97.7	Very high	94 Å²	94	42.3 Å²	42.3	66%	0.657	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-71.2	-21.1	178.3	74	0	0	0	0	113.2	D620	D620-S622 VanDerWaalsContact CG-OG 3.28Å; D620-S622 PolarHBondContact O-N 2.79Å; D620-S622 VanDerWaalsContact OD1-CB 3.3Å; D620-S622 WeakPolarHBondContact OD1-CB 3.09Å; D620-S622 PolarHBondContact OD1-N 2.67Å; D620-S622 PolarHBondContact OD1-OG 3.04Å; D620-S622 PolarHBondContact OD2-OG 2.78Å
623	L	98	Very high	97.7	Very high	58 Å²	58	43 Å²	43	30%	0.304	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-85.7	-16.2	175.7	-59.5	178.5	0	0	0	112.9	E495 T498 M502 D620 T621	E495-L623 HydrophobicContact CB-CD1 4.4Å; E495-L623 HydrophobicContact CG-CD1 4.08Å; T498-L623 HydrophobicContact CG2-CB 3.94Å; T498-L623 HydrophobicContact CG2-CD1 4.12Å; M502-L623 HydrophobicContact SD-CB 4.35Å; D620-L623 HydrophobicContact CB-CD1 4.23Å; D620-L623 HydrophobicContact CB-CG 4.33Å; D620-L623 PolarHBondContact O-N 3.06Å; D620-L623 VanDerWaalsContact O-N 3.14Å; T621-L623 VanDerWaalsContact C-N 3.26Å; T621-L623 PolarHBondContact O-N 3.08Å
624	M	98.1	Very high	97.7	Very high	14 Å²	14	46.8 Å²	46.8	7%	0.069	25%	0.246	C	C	.	.	S	Bend	trans	-93.8	140.8	-170.9	-59.8	-175.3	77	0	0	111.9	T498 L501 M502 I505 I619 T621 Q628 L629 L632	T498-M624 HydrophobicContact CG2-CG 3.74Å; T498-M624 HydrophobicContact CG2-SD 4.21Å; L501-M624 HydrophobicContact CD2-CE 4.21Å; L501-M624 HydrophobicContact CG-CE 4.48Å; M502-M624 HydrophobicContact CG-CG 4.33Å; I505-M624 HydrophobicContact CD1-CE 3.6Å; I619-M624 HydrophobicContact CG2-SD 3.61Å; T621-M624 PolarHBondContact O-N 2.85Å; M624-Q628 HydrophobicContact CB-CB 4.47Å; M624-Q628 HydrophobicContact CE-CB 3.93Å; M624-L629 HydrophobicContact CB-CD2 3.98Å; M624-L629 HydrophobicContact CB-CG 4.01Å; M624-L629 HydrophobicContact CE-CD2 4.46Å; M624-L629 HydrophobicContact SD-CD2 3.89Å; M624-L632 HydrophobicContact CE-CD2 4.34Å
625	S	97	Very high	97.7	Very high	34 Å²	34	47.2 Å²	47.2	24%	0.238	25%	0.248	C	C	.	.			trans	-70	155	172.1	66.3	0	0	0	0	111.8	Q627 Q628 L629	S625-Q627 PolarHBondContact O-N 3.19Å; S625-Q627 VanDerWaalsContact O-N 3.17Å; S625-Q628 PolarHBondContact O-N 3.48Å; S625-Q628 VanDerWaalsContact OG-CD 3.3Å; S625-Q628 WeakPolarHBondContact OG-CG 3.41Å; S625-Q628 PolarHBondContact OG-N 3.07Å; S625-Q628 PolarHBondContact OG-OE1 3.03Å; S625-L629 PolarHBondContact O-N 3.07Å
626	P	97	Very high	97.7	Very high	86 Å²	86	46.2 Å²	46.2	56%	0.558	24%	0.242	S	C	*	.	H	α-helix	trans	-54.2	-35.7	174.6	-27.7	35.8	0	0	0	113.6	L629 Q630 Q667	P626-L629 PolarHBondContact O-N 3.37Å; P626-Q630 WeakPolarHBondContact O-CB 3.48Å; P626-Q630 PolarHBondContact O-N 3.34Å; P626-Q667 PolarHBondContact O-NE2 2.98Å
627	Q	97.1	Very high	97.8	Very high	108 Å²	108	46.5 Å²	46.5	51%	0.505	25%	0.249	S	C	.	.	H	α-helix	trans	-72.1	-33.4	179.2	-64.4	80.5	4.5	0	0	112.4	S625 W631	S625-Q627 PolarHBondContact O-N 3.19Å; S625-Q627 VanDerWaalsContact O-N 3.17Å; Q627-W631 WeakPolarHBondContact O-CB 3.46Å; Q627-W631 PolarHBondContact O-N 3.19Å
628	Q	97.7	Very high	97.9	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-69.6	-41.5	173.9	-72.9	165	-36.1	0	0	111	I505 E506 M624 S625 W631 L632	I505-Q628 HydrophobicContact CD1-CB 4.48Å; I505-Q628 HydrophobicContact CG2-CB 4.14Å; I505-Q628 HydrophobicContact CG2-CG 3.86Å; E506-Q628 VanDerWaalsContact OE1-CG 3.32Å; E506-Q628 WeakPolarHBondContact OE1-CG 3.38Å; E506-Q628 PolarHBondContact OE1-NE2 2.87Å; M624-Q628 HydrophobicContact CB-CB 4.47Å; M624-Q628 HydrophobicContact CE-CB 3.93Å; S625-Q628 PolarHBondContact O-N 3.48Å; S625-Q628 VanDerWaalsContact OG-CD 3.3Å; S625-Q628 WeakPolarHBondContact OG-CG 3.41Å; S625-Q628 PolarHBondContact OG-N 3.07Å; S625-Q628 PolarHBondContact OG-OE1 3.03Å; Q628-W631 PolarHBondContact O-N 2.99Å; Q628-L632 WeakPolarHBondContact O-CB 3.48Å; Q628-L632 PolarHBondContact O-N 3.49Å
629	L	98	Very high	97.9	Very high	22 Å²	22	44.7 Å²	44.7	12%	0.115	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-41.5	174.5	-67.3	174.7	0	0	0	111.8	T621 M624 S625 P626 L632 D633 F666 Q667	T621-L629 HydrophobicContact CG2-CD2 3.93Å; M624-L629 HydrophobicContact CB-CD2 3.98Å; M624-L629 HydrophobicContact CB-CG 4.01Å; M624-L629 HydrophobicContact CE-CD2 4.46Å; M624-L629 HydrophobicContact SD-CD2 3.89Å; S625-L629 PolarHBondContact O-N 3.07Å; P626-L629 PolarHBondContact O-N 3.37Å; L629-L632 PolarHBondContact O-N 2.98Å; L629-D633 PolarHBondContact O-N 3.13Å; L629-F666 HydrophobicContact CD2-CB 4.32Å; L629-Q667 HydrophobicContact CB-CG 4.2Å
630	Q	97.7	Very high	97.9	Very high	109 Å²	109	47.1 Å²	47.1	51%	0.509	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-42.3	174.9	-175.3	178.9	27.4	0	0	112.1	P626 L632 D633 N634	P626-Q630 WeakPolarHBondContact O-CB 3.48Å; P626-Q630 PolarHBondContact O-N 3.34Å; Q630-L632 VanDerWaalsContact C-N 3.3Å; Q630-L632 PolarHBondContact O-N 3.1Å; Q630-D633 PolarHBondContact O-N 3.08Å; Q630-N634 VanDerWaalsContact O-CG 3.27Å; Q630-N634 PolarHBondContact O-N 2.82Å; Q630-N634 PolarHBondContact O-ND2 2.87Å
631	W	97.8	Very high	97.8	Very high	43 Å²	43	51.5 Å²	51.5	16%	0.163	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-44	174.4	-177.9	96.7	0	0	0	111	I505 Y614 Q627 Q628 D633 N634 Y635	I505-W631 HydrophobicContact CB-CE3 4.26Å; I505-W631 HydrophobicContact CD1-CE3 3.85Å; I505-W631 HydrophobicContact CD1-CZ3 4.13Å; I505-W631 HydrophobicContact CG1-CD2 4.29Å; I505-W631 HydrophobicContact CG1-CE3 3.55Å; I505-W631 HydrophobicContact CG1-CH2 4.37Å; I505-W631 HydrophobicContact CG1-CZ3 3.61Å; I505-W631 HydrophobicContact CG2-CB 4.1Å; I505-W631 HydrophobicContact CG2-CD2 3.87Å; I505-W631 HydrophobicContact CG2-CE3 3.92Å; I505-W631 HydrophobicContact CG2-CG 3.96Å; Y614-W631 HydrophobicContact CE2-CZ3 4.3Å; Q627-W631 WeakPolarHBondContact O-CB 3.46Å; Q627-W631 PolarHBondContact O-N 3.19Å; Q628-W631 PolarHBondContact O-N 2.99Å; W631-D633 PolarHBondContact O-N 3.39Å; W631-N634 PolarHBondContact O-N 3.32Å; W631-Y635 HydrophobicContact CH2-CD2 4.34Å; W631-Y635 HydrophobicContact CH2-CG 4.13Å; W631-Y635 HydrophobicContact CZ3-CD1 4.36Å; W631-Y635 HydrophobicContact CZ3-CG 4.14Å; W631-Y635 WeakPolarHBondContact O-CB 3.48Å; W631-Y635 PolarHBondContact O-N 2.99Å
632	L	97.8	Very high	97.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-40.1	-179.6	-176.8	55.6	0	0	0	112.4	L501 Y614 I619 M624 Q628 L629 Q630 Y635 Y636 F666	L501-L632 HydrophobicContact CD2-CD2 4.4Å; Y614-L632 HydrophobicContact CD2-CD1 3.59Å; Y614-L632 HydrophobicContact CE2-CD1 3.78Å; I619-L632 HydrophobicContact CD1-CD2 4.18Å; M624-L632 HydrophobicContact CE-CD2 4.34Å; Q628-L632 WeakPolarHBondContact O-CB 3.48Å; Q628-L632 PolarHBondContact O-N 3.49Å; L629-L632 PolarHBondContact O-N 2.98Å; Q630-L632 VanDerWaalsContact C-N 3.3Å; Q630-L632 PolarHBondContact O-N 3.1Å; L632-Y635 HydrophobicContact CD1-CD1 4.31Å; L632-Y635 WeakPolarHBondContact O-CB 3.37Å; L632-Y635 PolarHBondContact O-N 2.74Å; L632-Y636 HydrophobicContact CD1-CD1 4.16Å; L632-Y636 HydrophobicContact CD1-CE1 3.59Å; L632-Y636 HydrophobicContact CD1-CE2 4.35Å; L632-Y636 HydrophobicContact CG-CE1 4.44Å; L632-Y636 HydrophobicContact CG-CE2 4.4Å; L632-Y636 PolarHBondContact O-N 3.49Å; L632-F666 HydrophobicContact CD1-CE2 4.47Å; L632-F666 HydrophobicContact CD2-CD2 3.6Å; L632-F666 HydrophobicContact CD2-CE2 3.16Å; L632-F666 HydrophobicContact CD2-CZ 3.84Å; L632-F666 HydrophobicContact CG-CD2 3.88Å; L632-F666 HydrophobicContact CG-CE2 3.61Å
633	D	97.9	Very high	97.9	Very high	14 Å²	14	48 Å²	48	8%	0.075	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-41.1	174.7	-74.3	-15	0	0	0	111.7	L629 Q630 W631 Y636 L637 P665 F666 Q667	L629-D633 PolarHBondContact O-N 3.13Å; Q630-D633 PolarHBondContact O-N 3.08Å; W631-D633 PolarHBondContact O-N 3.39Å; D633-Y636 PolarHBondContact O-N 3.45Å; D633-L637 WeakPolarHBondContact O-CG 3.48Å; D633-L637 PolarHBondContact O-N 3.08Å; D633-P665 VanDerWaalsContact OD1-CA 3.26Å; D633-P665 WeakPolarHBondContact OD1-CA 3.4Å; D633-F666 PolarHBondContact OD1-N 3.3Å; D633-F666 PolarHBondContact OD2-N 2.93Å; D633-Q667 WeakPolarHBondContact OD2-CB 3.42Å; D633-Q667 PolarHBondContact OD2-N 3.38Å
634	N	98	Very high	97.9	Very high	86 Å²	86	45.5 Å²	45.5	46%	0.46	23%	0.233	S	C	.	.	H	α-helix	trans	-63.5	-43.6	174.1	-70.5	-18.7	0	0	0	111.7	Q630 W631 Y636 L637 T638	Q630-N634 VanDerWaalsContact O-CG 3.27Å; Q630-N634 PolarHBondContact O-N 2.82Å; Q630-N634 PolarHBondContact O-ND2 2.87Å; W631-N634 PolarHBondContact O-N 3.32Å; N634-Y636 VanDerWaalsContact C-N 3.3Å; N634-Y636 PolarHBondContact O-N 3.5Å; N634-L637 WeakPolarHBondContact O-CB 3.29Å; N634-L637 PolarHBondContact O-N 3.48Å; N634-L637 VanDerWaalsContact O-N 3.16Å; N634-T638 PolarHBondContact O-N 3.41Å; N634-T638 PolarHBondContact O-OG1 3.04Å
635	Y	98.4	Very high	97.8	Very high	11 Å²	11	47.7 Å²	47.7	4%	0.043	25%	0.253	C	S	.	.	H	α-helix	trans	-57.3	-44.4	175.1	174.5	-116.7	0	0	0	111.6	R482 T608 S610 V612 Y614 W631 L632 L637 T638 I639	R482-Y635 PolarHBondContact NH2-OH 3.02Å; R482-Y635 VanDerWaalsContact NH2-OH 3.11Å; T608-Y635 HydrophobicContact CG2-CD2 4.32Å; T608-Y635 HydrophobicContact CG2-CE2 3.75Å; S610-Y635 VanDerWaalsContact O-CE2 3.25Å; S610-Y635 WeakPolarHBondContact O-CE2 3.35Å; S610-Y635 PolarHBondContact O-OH 3.34Å; V612-Y635 PolarHBondContact N-OH 3.2Å; V612-Y635 PolarHBondContact O-OH 3.42Å; V612-Y635 VanDerWaalsContact O-OH 3.07Å; Y614-Y635 HydrophobicContact CD2-CE1 4.34Å; Y614-Y635 AromaticContact CE2-CD1 3.92Å; Y614-Y635 HydrophobicContact CE2-CD1 3.92Å; Y614-Y635 AromaticContact CE2-CE1 3.75Å; Y614-Y635 HydrophobicContact CE2-CE1 3.75Å; Y614-Y635 AromaticContact CZ-CE1 3.9Å; W631-Y635 HydrophobicContact CH2-CD2 4.34Å; W631-Y635 HydrophobicContact CH2-CG 4.13Å; W631-Y635 HydrophobicContact CZ3-CD1 4.36Å; W631-Y635 HydrophobicContact CZ3-CG 4.14Å; W631-Y635 WeakPolarHBondContact O-CB 3.48Å; W631-Y635 PolarHBondContact O-N 2.99Å; L632-Y635 HydrophobicContact CD1-CD1 4.31Å; L632-Y635 WeakPolarHBondContact O-CB 3.37Å; L632-Y635 PolarHBondContact O-N 2.74Å; Y635-L637 PolarHBondContact O-N 2.87Å; Y635-T638 WeakPolarHBondContact O-CB 3.37Å; Y635-T638 PolarHBondContact O-N 2.91Å; Y635-I639 HydrophobicContact CD1-CD1 3.88Å; Y635-I639 HydrophobicContact CD2-CD1 4.49Å; Y635-I639 HydrophobicContact CE1-CD1 3.36Å; Y635-I639 HydrophobicContact CE1-CG1 4.39Å; Y635-I639 HydrophobicContact CE2-CD1 4.05Å; Y635-I639 HydrophobicContact CE2-CG1 4.24Å; Y635-I639 HydrophobicContact CG-CD1 4.42Å; Y635-I639 VanDerWaalsContact CZ-CD1 3.46Å; Y635-I639 WeakPolarHBondContact O-CG1 3.44Å; Y635-I639 PolarHBondContact O-N 3.13Å
636	Y	98.4	Very high	97.9	Very high	1 Å²	1	47 Å²	47	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-33.8	176.7	-74.7	2.5	0	0	0	113.3	P613 Y614 L632 D633 N634 I639 R640 T663 F666	P613-Y636 HydrophobicContact CB-CE1 4.2Å; Y614-Y636 HydrophobicContact CD2-CE1 4.31Å; Y614-Y636 PolarHBondContact O-OH 2.63Å; L632-Y636 HydrophobicContact CD1-CD1 4.16Å; L632-Y636 HydrophobicContact CD1-CE1 3.59Å; L632-Y636 HydrophobicContact CD1-CE2 4.35Å; L632-Y636 HydrophobicContact CG-CE1 4.44Å; L632-Y636 HydrophobicContact CG-CE2 4.4Å; L632-Y636 PolarHBondContact O-N 3.49Å; D633-Y636 PolarHBondContact O-N 3.45Å; N634-Y636 VanDerWaalsContact C-N 3.3Å; N634-Y636 PolarHBondContact O-N 3.5Å; Y636-I639 HydrophobicContact CD1-CD1 4.1Å; Y636-I639 PolarHBondContact O-N 3.35Å; Y636-R640 VanDerWaalsContact O-CG 3.27Å; Y636-R640 WeakPolarHBondContact O-CG 3.13Å; Y636-R640 PolarHBondContact O-N 3.27Å; Y636-T663 HydrophobicContact CD1-CG2 4.45Å; Y636-T663 HydrophobicContact CG-CG2 4.3Å; Y636-F666 HydrophobicContact CD2-CE2 4.26Å; Y636-F666 HydrophobicContact CE2-CD2 4.16Å; Y636-F666 AromaticContact CE2-CE2 3.42Å; Y636-F666 HydrophobicContact CE2-CE2 3.42Å; Y636-F666 VanDerWaalsContact CE2-CE2 3.42Å; Y636-F666 HydrophobicContact CE2-CZ 4.24Å; Y636-F666 AromaticContact CZ-CE2 3.96Å
637	L	98.1	Very high	98	Very high	78 Å²	78	42.9 Å²	42.9	41%	0.408	22%	0.219	S	C	.	.	H	α-helix	trans	-63.7	-45.2	171	-70.6	173.6	0	0	0	111.2	D633 N634 Y635 I639 R640 E641	D633-L637 WeakPolarHBondContact O-CG 3.48Å; D633-L637 PolarHBondContact O-N 3.08Å; N634-L637 WeakPolarHBondContact O-CB 3.29Å; N634-L637 PolarHBondContact O-N 3.48Å; N634-L637 VanDerWaalsContact O-N 3.16Å; Y635-L637 PolarHBondContact O-N 2.87Å; L637-I639 VanDerWaalsContact C-N 3.34Å; L637-I639 PolarHBondContact O-N 2.68Å; L637-R640 WeakPolarHBondContact O-CB 3.21Å; L637-R640 PolarHBondContact O-N 3.15Å; L637-R640 VanDerWaalsContact O-N 3.11Å; L637-E641 WeakPolarHBondContact O-CG 3.48Å; L637-E641 PolarHBondContact O-N 2.86Å
638	T	98.1	Very high	98	Very high	55 Å²	55	42 Å²	42	34%	0.337	22%	0.218	S	C	.	.	H	α-helix	trans	-59.2	-43.6	175.3	-57.7	0	0	0	0	111.9	L611 N634 Y635 R640 E641 L642	L611-T638 HydrophobicContact CD2-CG2 4.03Å; N634-T638 PolarHBondContact O-N 3.41Å; N634-T638 PolarHBondContact O-OG1 3.04Å; Y635-T638 WeakPolarHBondContact O-CB 3.37Å; Y635-T638 PolarHBondContact O-N 2.91Å; T638-R640 PolarHBondContact O-N 2.83Å; T638-E641 PolarHBondContact O-N 3.33Å; T638-L642 HydrophobicContact CG2-CD1 3.76Å; T638-L642 HydrophobicContact CG2-CG 4.31Å; T638-L642 PolarHBondContact O-N 3.09Å
639	I	98.6	Very high	98	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-48.5	173.4	-69.2	166.9	0	0	0	110.4	L611 P613 Y635 Y636 L637 E641 M643 M659 T663	L611-I639 HydrophobicContact CB-CG1 4.25Å; L611-I639 HydrophobicContact CD2-CG1 4.16Å; P613-I639 HydrophobicContact CB-CD1 4.49Å; Y635-I639 HydrophobicContact CD1-CD1 3.88Å; Y635-I639 HydrophobicContact CD2-CD1 4.49Å; Y635-I639 HydrophobicContact CE1-CD1 3.36Å; Y635-I639 HydrophobicContact CE1-CG1 4.39Å; Y635-I639 HydrophobicContact CE2-CD1 4.05Å; Y635-I639 HydrophobicContact CE2-CG1 4.24Å; Y635-I639 HydrophobicContact CG-CD1 4.42Å; Y635-I639 VanDerWaalsContact CZ-CD1 3.46Å; Y635-I639 WeakPolarHBondContact O-CG1 3.44Å; Y635-I639 PolarHBondContact O-N 3.13Å; Y636-I639 HydrophobicContact CD1-CD1 4.1Å; Y636-I639 PolarHBondContact O-N 3.35Å; L637-I639 VanDerWaalsContact C-N 3.34Å; L637-I639 PolarHBondContact O-N 2.68Å; I639-E641 VanDerWaalsContact C-N 3.29Å; I639-E641 PolarHBondContact O-N 3.31Å; I639-M643 HydrophobicContact CG2-CB 4.25Å; I639-M643 HydrophobicContact CG2-CG 4Å; I639-M643 WeakPolarHBondContact O-CA 3.17Å; I639-M643 WeakPolarHBondContact O-CB 3.45Å; I639-M643 PolarHBondContact O-N 3.01Å; I639-M659 HydrophobicContact CG2-CG 3.83Å; I639-M659 HydrophobicContact CG2-SD 3.97Å; I639-T663 HydrophobicContact CB-CG2 4.15Å; I639-T663 HydrophobicContact CD1-CG2 4.48Å; I639-T663 HydrophobicContact CG2-CG2 3.79Å
640	R	98.3	Very high	98.1	Very high	63 Å²	63	51.4 Å²	51.4	24%	0.238	26%	0.255	C	S	.	.	H	α-helix	trans	-58.5	-41.3	-178.9	-74	171.8	175.8	-90.2	-5.7	112.5	Y636 L637 T638 G644 M659 L660 T663 V664	Y636-R640 VanDerWaalsContact O-CG 3.27Å; Y636-R640 WeakPolarHBondContact O-CG 3.13Å; Y636-R640 PolarHBondContact O-N 3.27Å; L637-R640 WeakPolarHBondContact O-CB 3.21Å; L637-R640 PolarHBondContact O-N 3.15Å; L637-R640 VanDerWaalsContact O-N 3.11Å; T638-R640 PolarHBondContact O-N 2.83Å; R640-G644 VanDerWaalsContact O-CA 3.23Å; R640-G644 WeakPolarHBondContact O-CA 3.47Å; R640-G644 PolarHBondContact O-N 3.46Å; R640-M659 HydrophobicContact CB-SD 4.42Å; R640-M659 HydrophobicContact CG-SD 3.92Å; R640-L660 HydrophobicContact CG-CD2 4.17Å; R640-L660 PolarHBondContact NH2-O 2.97Å; R640-T663 VanDerWaalsContact CG-OG1 3.29Å; R640-T663 WeakPolarHBondContact CG-OG1 3.35Å; R640-T663 VanDerWaalsContact CZ-O 3.27Å; R640-T663 VanDerWaalsContact CZ-OG1 3.28Å; R640-T663 PolarHBondContact NE-O 3.5Å; R640-T663 PolarHBondContact NE-OG1 2.72Å; R640-T663 VanDerWaalsContact NE-OG1 3.09Å; R640-T663 PolarHBondContact NH2-O 3.06Å; R640-T663 PolarHBondContact NH2-OG1 3.43Å; R640-V664 VanDerWaalsContact NH2-CA 3.32Å; R640-V664 VanDerWaalsContact NH2-N 3.19Å
641	E	97.6	Very high	98.1	Very high	137 Å²	137	48.9 Å²	48.9	64%	0.64	26%	0.257	S	S	*	.	H	α-helix	trans	-70	-56.1	-179	-71	174.9	178.8	0	0	111.4	L637 T638 I639 A645	L637-E641 WeakPolarHBondContact O-CG 3.48Å; L637-E641 PolarHBondContact O-N 2.86Å; T638-E641 PolarHBondContact O-N 3.33Å; I639-E641 VanDerWaalsContact C-N 3.29Å; I639-E641 PolarHBondContact O-N 3.31Å; E641-A645 PolarHBondContact O-N 3.11Å
642	L	98	Very high	98.1	Very high	84 Å²	84	48.3 Å²	48.3	44%	0.44	26%	0.257	S	S	.	.	H	α-helix	trans	-73.5	-49.5	-173.6	-62.1	-179.2	0	0	0	111.8	L611 T638 A645 E646	L611-L642 HydrophobicContact CD1-CB 3.93Å; L611-L642 HydrophobicContact CD1-CD1 3.77Å; L611-L642 HydrophobicContact CD2-CD1 4.13Å; T638-L642 HydrophobicContact CG2-CD1 3.76Å; T638-L642 HydrophobicContact CG2-CG 4.31Å; T638-L642 PolarHBondContact O-N 3.09Å; L642-A645 PolarHBondContact O-N 3.35Å; L642-E646 PolarHBondContact O-N 3.42Å
643	M	98.2	Very high	98.1	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-72.9	-31.7	179.1	-61.4	-53.1	-56.1	0	0	111.9	V388 A391 V392 I395 L611 I639 A645 E646 L647 M659	V388-M643 HydrophobicContact CG1-SD 4.16Å; V388-M643 WeakPolarHBondContact O-CE 3.32Å; A391-M643 HydrophobicContact CB-CE 3.64Å; A391-M643 HydrophobicContact CB-SD 3.61Å; V392-M643 HydrophobicContact CG2-CE 3.64Å; I395-M643 HydrophobicContact CD1-CE 4.04Å; I395-M643 HydrophobicContact CD1-CG 4.44Å; L611-M643 HydrophobicContact CB-CG 3.84Å; L611-M643 HydrophobicContact CB-SD 3.9Å; L611-M643 HydrophobicContact CD1-SD 4.11Å; I639-M643 HydrophobicContact CG2-CB 4.25Å; I639-M643 HydrophobicContact CG2-CG 4Å; I639-M643 WeakPolarHBondContact O-CA 3.17Å; I639-M643 WeakPolarHBondContact O-CB 3.45Å; I639-M643 PolarHBondContact O-N 3.01Å; M643-A645 VanDerWaalsContact C-N 3.33Å; M643-A645 PolarHBondContact O-N 3.47Å; M643-E646 PolarHBondContact O-N 2.95Å; M643-L647 HydrophobicContact CB-CD1 4.43Å; M643-L647 VanDerWaalsContact O-CB 3.29Å; M643-L647 WeakPolarHBondContact O-CB 3.29Å; M643-L647 WeakPolarHBondContact O-CD1 3.46Å; M643-L647 WeakPolarHBondContact O-CG 3.27Å; M643-L647 PolarHBondContact O-N 3.47Å; M643-M659 HydrophobicContact CB-CE 4.38Å
644	G	97.6	Very high	98.1	Very high	6 Å²	6	57.8 Å²	57.8	6%	0.062	31%	0.308	C	S	.	.	H	α-helix	trans	-58.9	-45.5	175.3	0	0	0	0	0	112	R640 D648	R640-G644 VanDerWaalsContact O-CA 3.23Å; R640-G644 WeakPolarHBondContact O-CA 3.47Å; R640-G644 PolarHBondContact O-N 3.46Å; G644-D648 VanDerWaalsContact O-CG 3.27Å; G644-D648 PolarHBondContact O-N 2.69Å; G644-D648 VanDerWaalsContact O-N 3.1Å
645	A	97.6	Very high	98.2	Very high	60 Å²	60	54.7 Å²	54.7	50%	0.496	29%	0.291	S	S	.	.	H	α-helix	trans	-65.4	-43.1	176.8	0	0	0	0	0	112.5	E641 L642 M643 D648 R649	E641-A645 PolarHBondContact O-N 3.11Å; L642-A645 PolarHBondContact O-N 3.35Å; M643-A645 VanDerWaalsContact C-N 3.33Å; M643-A645 PolarHBondContact O-N 3.47Å; A645-D648 PolarHBondContact O-N 2.98Å; A645-R649 WeakPolarHBondContact O-CB 3.5Å; A645-R649 PolarHBondContact O-N 3.4Å
646	E	98.2	Very high	98.2	Very high	20 Å²	20	56.7 Å²	56.7	9%	0.093	30%	0.3	C	S	.	.	H	α-helix	trans	-67.4	-42.3	179.7	178	61.9	-171.6	0	0	112.6	V388 V392 L642 M643 R649 Q650	V388-E646 HydrophobicContact CG1-CB 3.7Å; V388-E646 HydrophobicContact CG1-CG 3.68Å; V392-E646 HydrophobicContact CG2-CG 3.81Å; L642-E646 PolarHBondContact O-N 3.42Å; M643-E646 PolarHBondContact O-N 2.95Å; E646-R649 VanDerWaalsContact CD-NH2 3.35Å; E646-R649 WeakPolarHBondContact O-CB 3.46Å; E646-R649 PolarHBondContact O-N 3.33Å; E646-R649 IonicContact OE1-CZ 2.85Å; E646-R649 IonicContact OE1-NE 3.41Å; E646-R649 IonicContact OE1-NH2 2.7Å; E646-R649 PolarHBondContact OE1-NH2 2.86Å; E646-R649 IonicContact OE2-CZ 3.4Å; E646-R649 IonicContact OE2-NE 2.87Å; E646-R649 PolarHBondContact OE2-NE 3.48Å; E646-R649 IonicContact OE2-NH2 2.72Å; E646-R649 PolarHBondContact OE2-NH2 2.93Å; E646-Q650 PolarHBondContact O-N 3.42Å; E646-Q650 PolarHBondContact OE1-NE2 3.25Å
647	L	98.5	Very high	98.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.3	-38	177.9	-66.6	169.8	0	0	0	111.4	V392 M643 Q650 G651 L652 E655 K656 M659	V392-L647 HydrophobicContact CG1-CD2 4.1Å; V392-L647 HydrophobicContact CG2-CD2 4.14Å; M643-L647 HydrophobicContact CB-CD1 4.43Å; M643-L647 VanDerWaalsContact O-CB 3.29Å; M643-L647 WeakPolarHBondContact O-CB 3.29Å; M643-L647 WeakPolarHBondContact O-CD1 3.46Å; M643-L647 WeakPolarHBondContact O-CG 3.27Å; M643-L647 PolarHBondContact O-N 3.47Å; L647-Q650 PolarHBondContact O-N 2.87Å; L647-G651 PolarHBondContact O-N 3.47Å; L647-L652 HydrophobicContact CB-CB 4.37Å; L647-L652 HydrophobicContact CD2-CB 3.92Å; L647-L652 HydrophobicContact CD2-CD1 3.94Å; L647-L652 PolarHBondContact O-N 3Å; L647-E655 HydrophobicContact CD1-CB 4.35Å; L647-E655 HydrophobicContact CD2-CB 3.86Å; L647-K656 HydrophobicContact CB-CB 4.04Å; L647-K656 HydrophobicContact CD1-CB 4.05Å; L647-M659 HydrophobicContact CD1-CB 4.35Å; L647-M659 HydrophobicContact CD1-CE 4.46Å
648	D	98.3	Very high	98.2	Very high	89 Å²	89	58.6 Å²	58.6	48%	0.476	31%	0.312	S	S	.	.	H	α-helix	trans	-61.6	-44.1	170.9	-74.8	-26.3	0	0	0	111.3	G644 A645 Q650 G651 K656	G644-D648 VanDerWaalsContact O-CG 3.27Å; G644-D648 PolarHBondContact O-N 2.69Å; G644-D648 VanDerWaalsContact O-N 3.1Å; A645-D648 PolarHBondContact O-N 2.98Å; D648-Q650 VanDerWaalsContact C-N 3.27Å; D648-Q650 PolarHBondContact O-N 3.49Å; D648-G651 PolarHBondContact O-N 2.96Å; D648-G651 VanDerWaalsContact O-N 3.07Å; D648-K656 WeakPolarHBondContact OD1-CD 3.49Å; D648-K656 IonicContact OD1-NZ 2.62Å; D648-K656 PolarHBondContact OD1-NZ 3.38Å; D648-K656 IonicContact OD2-NZ 3.16Å; D648-K656 PolarHBondContact OD2-NZ 3.1Å
649	R	98.1	Very high	98.2	Very high	161 Å²	161	56 Å²	56	61%	0.608	30%	0.296	S	S	*	.	H	α-helix	trans	-60.8	-35.7	178.7	-167.7	-171.2	69.4	74	-0.5	112.3	A645 E646	A645-R649 WeakPolarHBondContact O-CB 3.5Å; A645-R649 PolarHBondContact O-N 3.4Å; E646-R649 VanDerWaalsContact CD-NH2 3.35Å; E646-R649 WeakPolarHBondContact O-CB 3.46Å; E646-R649 PolarHBondContact O-N 3.33Å; E646-R649 IonicContact OE1-CZ 2.85Å; E646-R649 IonicContact OE1-NE 3.41Å; E646-R649 IonicContact OE1-NH2 2.7Å; E646-R649 PolarHBondContact OE1-NH2 2.86Å; E646-R649 IonicContact OE2-CZ 3.4Å; E646-R649 IonicContact OE2-NE 2.87Å; E646-R649 PolarHBondContact OE2-NE 3.48Å; E646-R649 IonicContact OE2-NH2 2.72Å; E646-R649 PolarHBondContact OE2-NH2 2.93Å
650	Q	98.2	Very high	98.2	Very high	63 Å²	63	59 Å²	59	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-86.5	-6.3	176.6	-62.7	-162.2	26.5	0	0	113.8	E646 L647 D648 L652	E646-Q650 PolarHBondContact O-N 3.42Å; E646-Q650 PolarHBondContact OE1-NE2 3.25Å; L647-Q650 PolarHBondContact O-N 2.87Å; D648-Q650 VanDerWaalsContact C-N 3.27Å; D648-Q650 PolarHBondContact O-N 3.49Å; Q650-L652 HydrophobicContact CB-CD1 3.82Å; Q650-L652 HydrophobicContact CB-CG 3.78Å
651	G	98.2	Very high	98.2	Very high	55 Å²	55	62.2 Å²	62.2	57%	0.567	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	20.3	-177.2	0	0	0	0	0	114.7	L647 D648 T653	L647-G651 PolarHBondContact O-N 3.47Å; D648-G651 PolarHBondContact O-N 2.96Å; D648-G651 VanDerWaalsContact O-N 3.07Å; G651-T653 PolarHBondContact O-N 3.31Å
652	L	98.3	Very high	98.2	Very high	31 Å²	31	57.2 Å²	57.2	16%	0.162	30%	0.304	C	S	.	.			trans	-91.2	69.9	-172.8	-64.3	-179.6	0	0	0	111.7	V392 L647 Q650 E654 E655 K656	V392-L652 HydrophobicContact CG1-CD1 3.47Å; V392-L652 VanDerWaalsContact CG1-CD1 3.47Å; L647-L652 HydrophobicContact CB-CB 4.37Å; L647-L652 HydrophobicContact CD2-CB 3.92Å; L647-L652 HydrophobicContact CD2-CD1 3.94Å; L647-L652 PolarHBondContact O-N 3Å; Q650-L652 HydrophobicContact CB-CD1 3.82Å; Q650-L652 HydrophobicContact CB-CG 3.78Å; L652-E654 PolarHBondContact O-N 3.35Å; L652-E655 HydrophobicContact CB-CB 4.15Å; L652-E655 HydrophobicContact CB-CG 4.31Å; L652-E655 WeakPolarHBondContact CB-OE2 3.47Å; L652-K656 WeakPolarHBondContact O-CB 3.33Å; L652-K656 PolarHBondContact O-N 3.35Å
653	T	98.3	Very high	98.1	Very high	100 Å²	100	53.2 Å²	53.2	61%	0.613	28%	0.283	S	S	*	.	H	α-helix	trans	-68.5	-33.3	-172.8	-57.7	0	0	0	0	113.1	G651 T657	G651-T653 PolarHBondContact O-N 3.31Å; T653-T657 PolarHBondContact O-N 2.69Å; T653-T657 VanDerWaalsContact O-N 3.08Å; T653-T657 PolarHBondContact O-OG1 2.86Å
654	E	98.3	Very high	98	Very high	113 Å²	113	56.3 Å²	56.3	53%	0.528	30%	0.302	S	S	.	.	H	α-helix	trans	-71.3	-46.9	-179.3	-165.7	179.8	-161.4	0	0	110.8	M399 K403 L652 K656 T657 W658	M399-E654 HydrophobicContact CE-CG 4.46Å; M399-E654 HydrophobicContact SD-CB 4.31Å; M399-E654 HydrophobicContact SD-CG 3.82Å; K403-E654 WeakPolarHBondContact CE-OE1 3.5Å; K403-E654 IonicContact NZ-OE1 3.27Å; K403-E654 PolarHBondContact NZ-OE1 3.07Å; K403-E654 IonicContact NZ-OE2 3.08Å; K403-E654 PolarHBondContact NZ-OE2 3.49Å; L652-E654 PolarHBondContact O-N 3.35Å; E654-K656 VanDerWaalsContact C-N 3.29Å; E654-K656 PolarHBondContact O-N 3.25Å; E654-T657 WeakPolarHBondContact O-CB 3.43Å; E654-T657 PolarHBondContact O-N 2.62Å; E654-T657 VanDerWaalsContact O-N 3.13Å; E654-W658 PolarHBondContact O-N 3.45Å
655	E	98.6	Very high	97.9	Very high	22 Å²	22	58.9 Å²	58.9	10%	0.103	32%	0.317	C	S	.	.	H	α-helix	trans	-58.4	-41.3	173.9	-67.3	85.7	161.7	0	0	111.3	I395 Q396 M399 L647 L652 T657 W658 M659	I395-E655 HydrophobicContact CG2-CB 4.03Å; I395-E655 HydrophobicContact CG2-CG 4.36Å; Q396-E655 HydrophobicContact CG-CG 3.79Å; Q396-E655 PolarHBondContact NE2-OE1 3.21Å; Q396-E655 VanDerWaalsContact NE2-OE1 3.13Å; M399-E655 HydrophobicContact CE-CG 3.71Å; M399-E655 HydrophobicContact SD-CG 4.14Å; L647-E655 HydrophobicContact CD1-CB 4.35Å; L647-E655 HydrophobicContact CD2-CB 3.86Å; L652-E655 HydrophobicContact CB-CB 4.15Å; L652-E655 HydrophobicContact CB-CG 4.31Å; L652-E655 WeakPolarHBondContact CB-OE2 3.47Å; E655-T657 PolarHBondContact O-N 3.3Å; E655-W658 WeakPolarHBondContact O-CB 3.24Å; E655-W658 PolarHBondContact O-N 3.17Å; E655-M659 WeakPolarHBondContact O-CB 3.43Å; E655-M659 PolarHBondContact O-N 3.05Å
656	K	98.6	Very high	97.5	Very high	53 Å²	53	58 Å²	58	23%	0.23	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-43.8	175.8	-179.9	171.9	171.2	179.8	0	111.4	L647 D648 L652 E654 W658 M659 L660	L647-K656 HydrophobicContact CB-CB 4.04Å; L647-K656 HydrophobicContact CD1-CB 4.05Å; D648-K656 WeakPolarHBondContact OD1-CD 3.49Å; D648-K656 IonicContact OD1-NZ 2.62Å; D648-K656 PolarHBondContact OD1-NZ 3.38Å; D648-K656 IonicContact OD2-NZ 3.16Å; D648-K656 PolarHBondContact OD2-NZ 3.1Å; L652-K656 WeakPolarHBondContact O-CB 3.33Å; L652-K656 PolarHBondContact O-N 3.35Å; E654-K656 VanDerWaalsContact C-N 3.29Å; E654-K656 PolarHBondContact O-N 3.25Å; K656-W658 VanDerWaalsContact C-N 3.34Å; K656-M659 PolarHBondContact O-N 2.74Å; K656-L660 HydrophobicContact CG-CD1 4.08Å; K656-L660 HydrophobicContact CG-CG 4.43Å; K656-L660 WeakPolarHBondContact O-CB 3.15Å; K656-L660 WeakPolarHBondContact O-CG 3.23Å; K656-L660 PolarHBondContact O-N 3.26Å
657	T	98.5	Very high	96.7	Very high	89 Å²	89	60.8 Å²	60.8	55%	0.546	32%	0.315	S	S	.	.	H	α-helix	trans	-64.3	-41.9	177.6	-62.6	0	0	0	0	111	T653 E654 E655 L660 K661	T653-T657 PolarHBondContact O-N 2.69Å; T653-T657 VanDerWaalsContact O-N 3.08Å; T653-T657 PolarHBondContact O-OG1 2.86Å; E654-T657 WeakPolarHBondContact O-CB 3.43Å; E654-T657 PolarHBondContact O-N 2.62Å; E654-T657 VanDerWaalsContact O-N 3.13Å; E655-T657 PolarHBondContact O-N 3.3Å; T657-L660 PolarHBondContact O-N 3.19Å; T657-K661 PolarHBondContact O-N 3.01Å; T657-K661 VanDerWaalsContact O-N 3.08Å
658	W	98.4	Very high	95	Very high	29 Å²	29	65.4 Å²	65.4	11%	0.11	35%	0.348	C	S	.	.	H	α-helix	trans	-59.6	-47.3	173.6	-176.3	93	0	0	0	111.7	I395 L398 M399 E402 P613 E654 E655 K656 L660 K661 H662	I395-W658 HydrophobicContact CB-CZ3 4.45Å; I395-W658 HydrophobicContact CG1-CZ3 4.11Å; I395-W658 HydrophobicContact CG2-CE3 3.74Å; I395-W658 HydrophobicContact CG2-CZ3 4.04Å; L398-W658 HydrophobicContact CB-CH2 3.72Å; L398-W658 HydrophobicContact CB-CZ2 3.76Å; L398-W658 HydrophobicContact CD1-CH2 4.03Å; M399-W658 HydrophobicContact CB-CB 4.48Å; M399-W658 HydrophobicContact CB-CD2 4.04Å; M399-W658 HydrophobicContact CB-CG 3.86Å; M399-W658 HydrophobicContact CG-CB 4.14Å; M399-W658 HydrophobicContact CG-CG 3.84Å; M399-W658 HydrophobicContact SD-CB 3.99Å; M399-W658 HydrophobicContact SD-CG 4.34Å; E402-W658 PolarHBondContact OE2-NE1 3.44Å; P613-W658 HydrophobicContact CG-CH2 4.22Å; P613-W658 HydrophobicContact CG-CZ3 3.96Å; E654-W658 PolarHBondContact O-N 3.45Å; E655-W658 WeakPolarHBondContact O-CB 3.24Å; E655-W658 PolarHBondContact O-N 3.17Å; K656-W658 VanDerWaalsContact C-N 3.34Å; W658-L660 PolarHBondContact O-N 3.16Å; W658-K661 WeakPolarHBondContact O-CB 3.37Å; W658-K661 PolarHBondContact O-N 3.27Å; W658-H662 AromaticContact CD1-CE1 3.67Å; W658-H662 AromaticContact CD1-ND1 3.88Å; W658-H662 AromaticContact CD2-CE1 3.96Å; W658-H662 AromaticContact CD2-ND1 3.53Å; W658-H662 AromaticContact CE2-CE1 3.37Å; W658-H662 AromaticContact CE2-ND1 3.34Å; W658-H662 VanDerWaalsContact CE2-ND1 3.34Å; W658-H662 AromaticContact CG-ND1 3.88Å; W658-H662 AromaticContact CZ2-CE1 3.77Å; W658-H662 AromaticContact CZ2-ND1 3.7Å; W658-H662 AromaticContact NE1-CE1 3.18Å; W658-H662 PolarHBondContact NE1-CE1 3.34Å; W658-H662 AromaticContact NE1-ND1 3.57Å; W658-H662 PolarHBondContact O-N 3Å; W658-H662 VanDerWaalsContact O-N 3.15Å; W658-H662 PolarHBondContact O-ND1 3Å
659	M	98.3	Very high	92.6	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-45.1	177.9	176.9	-79.5	-73.1	0	0	111.2	I395 I639 R640 M643 L647 E655 K656 K661 H662 T663	I395-M659 HydrophobicContact CD1-CG 4.45Å; I639-M659 HydrophobicContact CG2-CG 3.83Å; I639-M659 HydrophobicContact CG2-SD 3.97Å; R640-M659 HydrophobicContact CB-SD 4.42Å; R640-M659 HydrophobicContact CG-SD 3.92Å; M643-M659 HydrophobicContact CB-CE 4.38Å; L647-M659 HydrophobicContact CD1-CB 4.35Å; L647-M659 HydrophobicContact CD1-CE 4.46Å; E655-M659 WeakPolarHBondContact O-CB 3.43Å; E655-M659 PolarHBondContact O-N 3.05Å; K656-M659 PolarHBondContact O-N 2.74Å; M659-K661 VanDerWaalsContact C-N 3.29Å; M659-K661 PolarHBondContact O-N 2.98Å; M659-H662 PolarHBondContact O-N 2.87Å; M659-H662 VanDerWaalsContact O-N 3.13Å; M659-T663 HydrophobicContact CG-CG2 4.27Å; M659-T663 WeakPolarHBondContact O-CB 3.44Å; M659-T663 WeakPolarHBondContact O-CG2 3.26Å; M659-T663 PolarHBondContact O-N 2.82Å; M659-T663 PolarHBondContact O-OG1 2.95Å; M659-T663 HydrophobicContact SD-CG2 3.99Å
660	L	98.3	Very high	89.9	Confident	63 Å²	63	63.3 Å²	63.3	33%	0.33	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-33.5	178.9	-69.4	170	0	0	0	112.6	R640 K656 T657 W658	R640-L660 HydrophobicContact CG-CD2 4.17Å; R640-L660 PolarHBondContact NH2-O 2.97Å; K656-L660 HydrophobicContact CG-CD1 4.08Å; K656-L660 HydrophobicContact CG-CG 4.43Å; K656-L660 WeakPolarHBondContact O-CB 3.15Å; K656-L660 WeakPolarHBondContact O-CG 3.23Å; K656-L660 PolarHBondContact O-N 3.26Å; T657-L660 PolarHBondContact O-N 3.19Å; W658-L660 PolarHBondContact O-N 3.16Å
661	K	97.6	Very high	87.2	Confident	132 Å²	132	63.6 Å²	63.6	57%	0.574	38%	0.378	S	S	*	.	H	α-helix	trans	-67.8	-38.9	174	179.5	-169.1	170.2	-159.5	0	111.7	E402 T657 W658 M659 V664	E402-K661 IonicContact OE1-NZ 2.83Å; E402-K661 PolarHBondContact OE1-NZ 3.36Å; T657-K661 PolarHBondContact O-N 3.01Å; T657-K661 VanDerWaalsContact O-N 3.08Å; W658-K661 WeakPolarHBondContact O-CB 3.37Å; W658-K661 PolarHBondContact O-N 3.27Å; M659-K661 VanDerWaalsContact C-N 3.29Å; M659-K661 PolarHBondContact O-N 2.98Å; K661-V664 WeakPolarHBondContact O-CG2 3.45Å
662	H	97.6	Very high	84.3	Confident	31 Å²	31	65.9 Å²	65.9	14%	0.144	39%	0.385	C	S	.	.	H	α-helix	trans	-87.4	-8.4	-175.1	-69.7	91.4	0	0	0	114.5	E402 P613 W658 M659	E402-H662 IonicContact OE2-CE1 3.47Å; E402-H662 PolarHBondContact OE2-CE1 3.06Å; E402-H662 IonicContact OE2-NE2 2.74Å; P613-H662 HydrophobicContact CB-CB 4.24Å; P613-H662 HydrophobicContact CG-CB 3.95Å; W658-H662 AromaticContact CD1-CE1 3.67Å; W658-H662 AromaticContact CD1-ND1 3.88Å; W658-H662 AromaticContact CD2-CE1 3.96Å; W658-H662 AromaticContact CD2-ND1 3.53Å; W658-H662 AromaticContact CE2-CE1 3.37Å; W658-H662 AromaticContact CE2-ND1 3.34Å; W658-H662 VanDerWaalsContact CE2-ND1 3.34Å; W658-H662 AromaticContact CG-ND1 3.88Å; W658-H662 AromaticContact CZ2-CE1 3.77Å; W658-H662 AromaticContact CZ2-ND1 3.7Å; W658-H662 AromaticContact NE1-CE1 3.18Å; W658-H662 PolarHBondContact NE1-CE1 3.34Å; W658-H662 AromaticContact NE1-ND1 3.57Å; W658-H662 PolarHBondContact O-N 3Å; W658-H662 VanDerWaalsContact O-N 3.15Å; W658-H662 PolarHBondContact O-ND1 3Å; M659-H662 PolarHBondContact O-N 2.87Å; M659-H662 VanDerWaalsContact O-N 3.13Å
663	T	97.8	Very high	81.4	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	22.8	-179.7	51.7	0	0	0	0	112.8	P613 Y636 I639 R640 M659	P613-T663 HydrophobicContact CB-CG2 4Å; P613-T663 HydrophobicContact CG-CG2 4.37Å; Y636-T663 HydrophobicContact CD1-CG2 4.45Å; Y636-T663 HydrophobicContact CG-CG2 4.3Å; I639-T663 HydrophobicContact CB-CG2 4.15Å; I639-T663 HydrophobicContact CD1-CG2 4.48Å; I639-T663 HydrophobicContact CG2-CG2 3.79Å; R640-T663 VanDerWaalsContact CG-OG1 3.29Å; R640-T663 WeakPolarHBondContact CG-OG1 3.35Å; R640-T663 VanDerWaalsContact CZ-O 3.27Å; R640-T663 VanDerWaalsContact CZ-OG1 3.28Å; R640-T663 PolarHBondContact NE-O 3.5Å; R640-T663 PolarHBondContact NE-OG1 2.72Å; R640-T663 VanDerWaalsContact NE-OG1 3.09Å; R640-T663 PolarHBondContact NH2-O 3.06Å; R640-T663 PolarHBondContact NH2-OG1 3.43Å; M659-T663 HydrophobicContact CG-CG2 4.27Å; M659-T663 WeakPolarHBondContact O-CB 3.44Å; M659-T663 WeakPolarHBondContact O-CG2 3.26Å; M659-T663 PolarHBondContact O-N 2.82Å; M659-T663 PolarHBondContact O-OG1 2.95Å; M659-T663 HydrophobicContact SD-CG2 3.99Å
664	V	96.1	Very high	78.5	Confident	66 Å²	66	65.2 Å²	65.2	40%	0.4	40%	0.395	S	S	.	.			trans	-65.8	136.6	177.1	178.1	0	0	0	0	109.6	R616 R640 K661	R616-V664 PolarHBondContact NH1-O 3.05Å; R640-V664 VanDerWaalsContact NH2-CA 3.32Å; R640-V664 VanDerWaalsContact NH2-N 3.19Å; K661-V664 WeakPolarHBondContact O-CG2 3.45Å
665	P	93.7	Very high	75.8	Confident	59 Å²	59	64.9 Å²	64.9	38%	0.383	40%	0.4	S	S	.	.			trans	-57.4	143.7	177.1	-25.9	35	0	0	0	113	D633	D633-P665 VanDerWaalsContact OD1-CA 3.26Å; D633-P665 WeakPolarHBondContact OD1-CA 3.4Å
666	F	90.6	Very high	73.2	Confident	41 Å²	41	66.6 Å²	66.6	18%	0.18	41%	0.414	C	S	.	.	S	Bend	trans	-77.5	-40.9	171.8	-72.5	-86.7	0	0	0	111.5	R616 I619 T621 L629 L632 D633 Y636 S668	R616-F666 HydrophobicContact CB-CZ 4.42Å; R616-F666 HydrophobicContact CG-CZ 3.99Å; I619-F666 HydrophobicContact CB-CE1 4.42Å; I619-F666 HydrophobicContact CB-CZ 4.43Å; I619-F666 HydrophobicContact CD1-CE2 4.44Å; I619-F666 HydrophobicContact CD1-CZ 3.72Å; I619-F666 HydrophobicContact CG2-CE1 4.2Å; I619-F666 HydrophobicContact CG2-CZ 4.31Å; T621-F666 HydrophobicContact CG2-CD1 3.55Å; T621-F666 HydrophobicContact CG2-CE1 4Å; T621-F666 HydrophobicContact CG2-CG 4.39Å; L629-F666 HydrophobicContact CD2-CB 4.32Å; L632-F666 HydrophobicContact CD1-CE2 4.47Å; L632-F666 HydrophobicContact CD2-CD2 3.6Å; L632-F666 HydrophobicContact CD2-CE2 3.16Å; L632-F666 HydrophobicContact CD2-CZ 3.84Å; L632-F666 HydrophobicContact CG-CD2 3.88Å; L632-F666 HydrophobicContact CG-CE2 3.61Å; D633-F666 PolarHBondContact OD1-N 3.3Å; D633-F666 PolarHBondContact OD2-N 2.93Å; Y636-F666 HydrophobicContact CD2-CE2 4.26Å; Y636-F666 HydrophobicContact CE2-CD2 4.16Å; Y636-F666 AromaticContact CE2-CE2 3.42Å; Y636-F666 HydrophobicContact CE2-CE2 3.42Å; Y636-F666 VanDerWaalsContact CE2-CE2 3.42Å; Y636-F666 HydrophobicContact CE2-CZ 4.24Å; Y636-F666 AromaticContact CZ-CE2 3.96Å; F666-S668 PolarHBondContact O-N 2.67Å
667	Q	81.8	Confident	70.4	Confident	79 Å²	79	67.1 Å²	67.1	37%	0.369	43%	0.425	S	S	.	.	S	Bend	trans	-82.4	110	172.3	-60.4	-177.7	-10.9	0	0	107.5	P626 L629 D633 A669	P626-Q667 PolarHBondContact O-NE2 2.98Å; L629-Q667 HydrophobicContact CB-CG 4.2Å; D633-Q667 WeakPolarHBondContact OD2-CB 3.42Å; D633-Q667 PolarHBondContact OD2-N 3.38Å; Q667-A669 PolarHBondContact O-N 2.76Å; Q667-A669 VanDerWaalsContact O-N 3.14Å
668	S	62.3	Low	67.8	Low	98 Å²	98	68.2 Å²	68.2	69%	0.685	43%	0.426	S	S	*	.			trans	-55.4	124.6	167.4	57.3	0	0	0	0	107.4	F666 T670	F666-S668 PolarHBondContact O-N 2.67Å; S668-T670 PolarHBondContact O-N 3.14Å
669	A	47.5	Very low	65.3	Low	85 Å²	85	70.1 Å²	70.1	70%	0.702	45%	0.445	S	S	*	.			trans	-50.1	103.6	177.7	0	0	0	0	0	109.2	Q667 A671	Q667-A669 PolarHBondContact O-N 2.76Å; Q667-A669 VanDerWaalsContact O-N 3.14Å; A669-A671 HydrophobicContact CB-CB 4.25Å; A669-A671 PolarHBondContact O-N 2.78Å
670	T	41.8	Very low	62.8	Low	120 Å²	120	75.8 Å²	75.8	74%	0.736	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	37.5	168.7	45.3	0	0	0	0	110.1	S668	S668-T670 PolarHBondContact O-N 3.14Å
671	A	40	Very low	60.5	Low	69 Å²	69	76.6 Å²	76.6	57%	0.57	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-3.5	175.3	0	0	0	0	0	112.2	A669	A669-A671 HydrophobicContact CB-CB 4.25Å; A669-A671 PolarHBondContact O-N 2.78Å
672	S	38.3	Very low	58.1	Low	103 Å²	103	76.1 Å²	76.1	72%	0.72	49%	0.485	S	S	*	.	S	Bend	trans	-91.9	-13.2	173.4	-167.9	0	0	0	0	114.4
673	A	38.1	Very low	55.8	Low	64 Å²	64	77.6 Å²	77.6	53%	0.529	50%	0.499	S	S	.	.	S	Bend	trans	-95.2	-17.2	-177.8	0	0	0	0	0	114.1	S676 S677	A673-S676 PolarHBondContact O-OG 3.27Å; A673-S676 VanDerWaalsContact O-OG 3.11Å; A673-S677 PolarHBondContact O-OG 3.11Å
674	A	37.3	Very low	53.5	Low	54 Å²	54	80.3 Å²	80.3	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-84.1	-23.9	175.9	0	0	0	0	0	113	S677	A674-S677 PolarHBondContact O-OG 3.14Å
675	V	40.8	Very low	51.3	Low	106 Å²	106	82.3 Å²	82.3	64%	0.642	53%	0.529	S	S	*	.	H	α-helix	trans	-80.4	-25.7	177.1	-173	0	0	0	0	111.5	S679	V675-S679 PolarHBondContact O-N 2.78Å; V675-S679 PolarHBondContact O-OG 3.45Å
676	S	43.3	Very low	49.3	Very low	58 Å²	58	82.3 Å²	82.3	41%	0.406	53%	0.534	S	S	.	.	H	α-helix	trans	-78.3	-28.2	175.4	53.9	0	0	0	0	113.7	A673 S679 L680	A673-S676 PolarHBondContact O-OG 3.27Å; A673-S676 VanDerWaalsContact O-OG 3.11Å; S676-S679 WeakPolarHBondContact CA-OG 3.49Å; S676-S679 PolarHBondContact O-OG 3.28Å; S676-S679 VanDerWaalsContact O-OG 3.12Å; S676-L680 WeakPolarHBondContact O-CB 3.43Å; S676-L680 WeakPolarHBondContact O-CD1 3.38Å; S676-L680 PolarHBondContact O-N 3.24Å
677	S	41	Very low	47.5	Very low	64 Å²	64	84.8 Å²	84.8	45%	0.448	55%	0.553	S	S	.	*	H	α-helix	trans	-83.7	-27.4	179.8	50.4	0	0	0	0	113.6	A673 A674 T681	A673-S677 PolarHBondContact O-OG 3.11Å; A674-S677 PolarHBondContact O-OG 3.14Å; S677-T681 WeakPolarHBondContact O-CG2 3.4Å; S677-T681 PolarHBondContact O-N 2.85Å; S677-T681 PolarHBondContact O-OG1 3.12Å
678	L	42.9	Very low	46	Very low	111 Å²	111	85.1 Å²	85.1	58%	0.581	56%	0.56	S	S	*	*	H	α-helix	trans	-73.4	-33.7	169.8	-94.3	140.1	0	0	0	112.6	T681 L682	L678-T681 PolarHBondContact O-OG1 3.36Å; L678-L682 PolarHBondContact O-N 3.18Å
679	S	46.4	Very low	45.3	Very low	70 Å²	70	85.4 Å²	85.4	49%	0.49	55%	0.553	S	S	.	*	H	α-helix	trans	-74.8	-34.3	176.6	42.8	0	0	0	0	112.8	V675 S676 S683	V675-S679 PolarHBondContact O-N 2.78Å; V675-S679 PolarHBondContact O-OG 3.45Å; S676-S679 WeakPolarHBondContact CA-OG 3.49Å; S676-S679 PolarHBondContact O-OG 3.28Å; S676-S679 VanDerWaalsContact O-OG 3.12Å; S679-S683 PolarHBondContact O-N 3.34Å; S679-S683 PolarHBondContact O-OG 3.29Å; S679-S683 VanDerWaalsContact O-OG 3.14Å
680	L	45.9	Very low	45.4	Very low	119 Å²	119	87.2 Å²	87.2	62%	0.623	55%	0.55	S	S	*	*	H	α-helix	trans	-72.8	-31.1	175.5	-85.7	157.9	0	0	0	113.9	S676 S683 A684	S676-L680 WeakPolarHBondContact O-CB 3.43Å; S676-L680 WeakPolarHBondContact O-CD1 3.38Å; S676-L680 PolarHBondContact O-N 3.24Å; L680-S683 WeakPolarHBondContact CA-OG 3.43Å; L680-S683 PolarHBondContact O-OG 3.47Å; L680-A684 PolarHBondContact O-N 3.39Å
681	T	48.8	Very low	45.7	Very low	80 Å²	80	89.3 Å²	89.3	49%	0.491	55%	0.552	S	S	.	*	H	α-helix	trans	-76.4	-32.8	177.1	45.2	0	0	0	0	112.6	S677 L678 A684 L685	S677-T681 WeakPolarHBondContact O-CG2 3.4Å; S677-T681 PolarHBondContact O-N 2.85Å; S677-T681 PolarHBondContact O-OG1 3.12Å; L678-T681 PolarHBondContact O-OG1 3.36Å; T681-A684 PolarHBondContact O-N 3.37Å; T681-L685 PolarHBondContact O-N 3.07Å
682	L	47.7	Very low	46.4	Very low	122 Å²	122	93 Å²	93	64%	0.639	56%	0.56	S	S	*	*	H	α-helix	trans	-69.1	-34.2	173.4	-92.3	149.2	0	0	0	113.2	L678 A686	L678-L682 PolarHBondContact O-N 3.18Å; L682-A686 PolarHBondContact O-N 2.93Å
683	S	49.8	Very low	46.8	Very low	62 Å²	62	95.1 Å²	95.1	43%	0.434	56%	0.563	S	S	.	*	H	α-helix	trans	-70.5	-32.5	174.3	42.8	0	0	0	0	113.7	S679 L680 T687	S679-S683 PolarHBondContact O-N 3.34Å; S679-S683 PolarHBondContact O-OG 3.29Å; S679-S683 VanDerWaalsContact O-OG 3.14Å; L680-S683 WeakPolarHBondContact CA-OG 3.43Å; L680-S683 PolarHBondContact O-OG 3.47Å; S683-T687 PolarHBondContact O-N 3.3Å; S683-T687 PolarHBondContact O-OG1 3.3Å
684	A	48.9	Very low	47	Very low	56 Å²	56	101.9 Å²	101.9	46%	0.463	59%	0.589	S	S	.	*	H	α-helix	trans	-75.7	-30.3	179.2	0	0	0	0	0	113.3	L680 T681 T687 T688	L680-A684 PolarHBondContact O-N 3.39Å; T681-A684 PolarHBondContact O-N 3.37Å; A684-T687 PolarHBondContact O-OG1 3.15Å; A684-T687 VanDerWaalsContact O-OG1 3.07Å; A684-T688 PolarHBondContact O-N 3.22Å; A684-T688 PolarHBondContact O-OG1 3.26Å
685	L	49.6	Very low	47.5	Very low	108 Å²	108	104.3 Å²	104.3	57%	0.565	60%	0.596	S	S	*	*	H	α-helix	trans	-73.4	-33.7	173.1	-98.9	125.7	0	0	0	112.5	T681 T688 L689	T681-L685 PolarHBondContact O-N 3.07Å; L685-T688 WeakPolarHBondContact CA-OG1 3.45Å; L685-T688 PolarHBondContact O-OG1 3.37Å; L685-L689 PolarHBondContact O-N 3.32Å; L685-L689 VanDerWaalsContact O-N 3.15Å
686	A	51.8	Low	47.9	Very low	60 Å²	60	104.2 Å²	104.2	50%	0.496	59%	0.593	S	S	.	*	H	α-helix	trans	-68.6	-36	176.5	0	0	0	0	0	112.6	L682 L690	L682-A686 PolarHBondContact O-N 2.93Å; A686-L690 PolarHBondContact O-N 2.84Å
687	T	52.6	Low	48.1	Very low	93 Å²	93	106.7 Å²	106.7	57%	0.571	60%	0.604	S	S	*	*	H	α-helix	trans	-74.8	-28.5	177.2	46.8	0	0	0	0	113.7	S683 A684	S683-T687 PolarHBondContact O-N 3.3Å; S683-T687 PolarHBondContact O-OG1 3.3Å; A684-T687 PolarHBondContact O-OG1 3.15Å; A684-T687 VanDerWaalsContact O-OG1 3.07Å
688	T	50.4	Low	48.5	Very low	85 Å²	85	109.2 Å²	109.2	52%	0.521	61%	0.613	S	S	.	*	H	α-helix	trans	-80.1	-31.6	176.6	37.2	0	0	0	0	112.7	A684 L685 H691	A684-T688 PolarHBondContact O-N 3.22Å; A684-T688 PolarHBondContact O-OG1 3.26Å; L685-T688 WeakPolarHBondContact CA-OG1 3.45Å; L685-T688 PolarHBondContact O-OG1 3.37Å; T688-H691 PolarHBondContact O-N 3.49Å
689	L	48.3	Very low	48.9	Very low	105 Å²	105	109.1 Å²	109.1	55%	0.55	62%	0.615	S	S	.	*	H	α-helix	trans	-71.2	-28.4	172.3	-96	137.6	0	0	0	113.5	L685	L685-L689 PolarHBondContact O-N 3.32Å; L685-L689 VanDerWaalsContact O-N 3.15Å
690	L	48.7	Very low	49	Very low	122 Å²	122	111.7 Å²	111.7	64%	0.639	62%	0.623	S	S	*	*	H	α-helix	trans	-75.2	-20.6	176.2	-129	89.3	0	0	0	113.9	A686	A686-L690 PolarHBondContact O-N 2.84Å
691	H	49.9	Very low	49.3	Very low	165 Å²	165	111.2 Å²	111.2	76%	0.764	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-8.2	176.3	-95.6	31.4	0	0	0	114.1	T688	T688-H691 PolarHBondContact O-N 3.49Å
692	I	54.1	Low	49.3	Very low	146 Å²	146	113.6 Å²	113.6	75%	0.749	63%	0.634	S	S	*	*	S	Bend	trans	-99.1	-7.1	177.1	-63.9	173.2	0	0	0	111.3
693	L	47.4	Very low	49.4	Very low	147 Å²	147	112.9 Å²	112.9	77%	0.77	63%	0.633	S	S	*	*			trans	-117.2	15.3	-176.5	-88.8	157.7	0	0	0	114.4
694	L	41.8	Very low	49.4	Very low	206 Å²	206	117.5 Å²	117.5	100%	1.079	65%	0.651	S	S	*	*			trans	-120	0	172.5	-89.9	164.6	0	0	0	111.8

Retrieved 694 of 694 residues in 967.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).