A0A087XW85_POEFO Loading...

M-phase inducer phosphatase

Tyrosine protein phosphatase which functions as a dosage-dependent inducer of mitotic progression.

AlphaFold DB , UniProt , Accession A0A087XW85, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 572 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	K	36.7	Very low	37.6	Very low	252 Å²	252	139.4 Å²	139.4	100%	1.096	78%	0.778	S	S	*	*				0	104.3	0	-62.6	179.4	178.9	-179.3	0	105.5
2	M	36.2	Very low	37.3	Very low	169 Å²	169	143.2 Å²	143.2	83%	0.833	79%	0.785	S	S	*	*				71.6	129.4	66.4	-72.8	172.5	128.2	0	0	111.9
3	E	39.4	Very low	36.9	Very low	114 Å²	114	141.1 Å²	141.1	53%	0.533	79%	0.787	S	S	.	*			cis	-168.2	177.3	-13.9	-151	-174.7	121.5	0	0	110.3	R5	E3-R5 IonicContact OE1-CZ 3.17Å; E3-R5 IonicContact OE1-NE 3.51Å; E3-R5 PolarHBondContact OE1-NE 3.27Å; E3-R5 IonicContact OE1-NH2 2.95Å; E3-R5 PolarHBondContact OE1-NH2 3.27Å
4	T	39.5	Very low	36.7	Very low	105 Å²	105	141.5 Å²	141.5	64%	0.644	79%	0.794	S	S	*	*			trans	75.7	144.3	147.1	56.3	0	0	0	0	121.7
5	R	40.1	Very low	36.4	Very low	177 Å²	177	137.2 Å²	137.2	67%	0.668	78%	0.784	S	S	*	*			cis	-167.7	153.3	-20.5	-114.3	169.7	-151.8	-164.6	10.3	110.1	E3	E3-R5 IonicContact OE1-CZ 3.17Å; E3-R5 IonicContact OE1-NE 3.51Å; E3-R5 PolarHBondContact OE1-NE 3.27Å; E3-R5 IonicContact OE1-NH2 2.95Å; E3-R5 PolarHBondContact OE1-NH2 3.27Å
6	F	38.8	Very low	36.3	Very low	190 Å²	190	141.7 Å²	141.7	83%	0.833	79%	0.792	S	S	*	*			trans	40.1	152.7	151.1	-54.9	-49.2	0	0	0	122.3
7	G	32.8	Very low	36.4	Very low	62 Å²	62	144.7 Å²	144.7	64%	0.639	80%	0.795	S	S	*	*			cis	159.1	138.2	-8.1	0	0	0	0	0	114.4
8	S	34.1	Very low	36.2	Very low	122 Å²	122	149.9 Å²	149.9	85%	0.853	80%	0.801	S	S	*	*			trans	38.1	128.4	151.8	61.5	0	0	0	0	122.7
9	A	34.2	Very low	36.2	Very low	101 Å²	101	154.2 Å²	154.2	84%	0.835	81%	0.805	S	S	*	*				151.4	146.9	117.4	0	0	0	0	0	114
10	S	34.2	Very low	37	Very low	113 Å²	113	152 Å²	152	79%	0.79	80%	0.8	S	S	*	*			trans	-90.2	169.2	171.3	-44.7	0	0	0	0	111.3
11	P	47.5	Very low	36.8	Very low	128 Å²	128	151.3 Å²	151.3	83%	0.831	80%	0.797	S	S	*	*				-149.2	-177.1	87.7	40.3	-22.8	0	0	0	115.5
12	Q	34.3	Very low	36.5	Very low	185 Å²	185	142.5 Å²	142.5	86%	0.864	78%	0.777	S	S	*	*			trans	-77.9	149.1	172.4	-58.2	164.1	-24.2	0	0	111.9
13	S	32.3	Very low	36.6	Very low	116 Å²	116	141.9 Å²	141.9	81%	0.811	78%	0.776	S	S	*	*			trans	-178.8	124.9	130.8	36.5	0	0	0	0	116
14	V	34.2	Very low	36.9	Very low	147 Å²	147	142.3 Å²	142.3	89%	0.891	79%	0.789	S	S	*	*			trans	22.4	108.2	142.7	-166.3	0	0	0	0	120.6
15	A	32.3	Very low	36.6	Very low	77 Å²	77	140.4 Å²	140.4	64%	0.636	79%	0.79	S	S	*	*			trans	-141	152.7	139.7	0	0	0	0	0	107.4
16	F	34.7	Very low	36.4	Very low	209 Å²	209	140.2 Å²	140.2	92%	0.917	80%	0.801	S	S	*	*			cis	-130.8	170.7	18.7	-80	-99.1	0	0	0	113.1
17	K	37.6	Very low	36	Very low	193 Å²	193	135.8 Å²	135.8	84%	0.839	79%	0.794	S	S	*	*			trans	-125.9	135.9	170.2	-101.9	177.7	179.9	170.5	0	111.1
18	R	32.3	Very low	35.9	Very low	239 Å²	239	137.9 Å²	137.9	90%	0.902	80%	0.798	S	S	*	*			trans	75.7	134.3	156	-62.9	178.7	172.3	177.8	-3.8	120.3
19	R	36	Very low	35.8	Very low	231 Å²	231	138.6 Å²	138.6	87%	0.872	79%	0.792	S	S	*	*			trans	-46.2	169.7	146.4	-93.8	-176	-176.7	175.2	0.7	112.9
20	P	52.3	Low	35.6	Very low	109 Å²	109	140.3 Å²	140.3	71%	0.708	79%	0.787	S	S	*	*			cis	-141.9	-166.7	33.2	49.2	-31.2	0	0	0	114.2
21	D	32.6	Very low	35.6	Very low	139 Å²	139	142.1 Å²	142.1	74%	0.743	79%	0.787	S	S	*	*			cis	-150.2	-171.8	-6.7	-140	-51.9	0	0	0	110.5
22	G	31.3	Very low	35.2	Very low	66 Å²	66	142 Å²	142	68%	0.68	79%	0.787	S	S	*	*			trans	176.5	91.3	167.3	0	0	0	0	0	116.9
23	I	38.6	Very low	34.9	Very low	156 Å²	156	140.4 Å²	140.4	80%	0.8	78%	0.784	S	S	*	*			trans	-161.4	166.7	169.2	15.7	175.2	0	0	0	108
24	P	46.2	Very low	34.9	Very low	124 Å²	124	141.8 Å²	141.8	81%	0.805	78%	0.781	S	S	*	*			cis	-138.3	176.9	9.2	42	-24.3	0	0	0	117.7
25	G	32.1	Very low	34.6	Very low	65 Å²	65	140.4 Å²	140.4	67%	0.67	78%	0.778	S	S	*	*			trans	106.1	141.6	150.2	0	0	0	0	0	117.2
26	L	35.3	Very low	34.5	Very low	172 Å²	172	140.2 Å²	140.2	90%	0.901	78%	0.783	S	S	*	*			cis	-146.9	153.6	-5.6	-84	174.6	0	0	0	112.2
27	S	30.5	Very low	34.4	Very low	97 Å²	97	142 Å²	142	68%	0.678	78%	0.784	S	S	*	*			trans	-56.8	157.3	165.9	49.4	0	0	0	0	114.4
28	S	32.5	Very low	34	Very low	106 Å²	106	138.3 Å²	138.3	74%	0.741	78%	0.782	S	S	*	*				173.9	177.6	77	60.3	0	0	0	0	111.5
29	L	31.3	Very low	34	Very low	137 Å²	137	131 Å²	131	72%	0.717	77%	0.768	S	S	*	*			cis	-165.1	159.1	-34.4	-97.6	174.4	0	0	0	110.1
30	N	29.5	Very low	33.9	Very low	138 Å²	138	128.6 Å²	128.6	74%	0.738	77%	0.766	S	S	*	*			trans	49.9	128.1	150.3	-62.5	-10.6	0	0	0	124.8
31	L	35.2	Very low	33	Very low	151 Å²	151	129.9 Å²	129.9	79%	0.791	78%	0.776	S	S	*	*			trans	21.3	145.6	132.5	-93.4	161.5	0	0	0	122.7
32	P	38.6	Very low	33.1	Very low	126 Å²	126	135 Å²	135	82%	0.818	79%	0.785	S	S	*	*				-136.9	177.3	118.5	40.7	-31.1	0	0	0	115.4
33	D	27.4	Very low	33.1	Very low	151 Å²	151	139.6 Å²	139.6	81%	0.807	79%	0.794	S	S	*	*			trans	-114.7	-171.5	-165.7	-134.6	-42.2	0	0	0	113.4
34	I	33.4	Very low	32.9	Very low	144 Å²	144	139.3 Å²	139.3	74%	0.738	79%	0.793	S	S	*	*			trans	102.2	95	158.1	-50.6	-173.8	0	0	0	120.3
35	S	27.8	Very low	32.3	Very low	119 Å²	119	142.1 Å²	142.1	83%	0.832	79%	0.793	S	S	*	*			trans	47.8	140.3	135.6	87.2	0	0	0	0	124.4
36	G	29.6	Very low	32.7	Very low	72 Å²	72	144.9 Å²	144.9	74%	0.742	80%	0.802	S	S	*	*			trans	-173.7	25.2	174.2	0	0	0	0	0	125
37	R	32.2	Very low	33.3	Very low	247 Å²	247	143 Å²	143	93%	0.932	80%	0.8	S	S	*	*			trans	69.2	140.2	167.9	-61.4	-179.8	166.6	-170	-4	121.4
38	S	30.1	Very low	33.6	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	80%	0.8	S	S	*	*			trans	65	141.4	153.6	-102.1	0	0	0	0	120.9
39	S	31.9	Very low	34.2	Very low	86 Å²	86	142.9 Å²	142.9	60%	0.601	81%	0.806	S	S	*	*			cis	-167.2	147.9	-15.4	31.3	0	0	0	0	113.1
40	H	34.2	Very low	35	Very low	180 Å²	180	140.8 Å²	140.8	83%	0.833	81%	0.809	S	S	*	*			trans	62.7	98.6	161.3	-55.6	-52.2	0	0	0	120.9
41	C	33.7	Very low	35.8	Very low	136 Å²	136	140.2 Å²	140.2	92%	0.919	81%	0.811	S	S	*	*				-155.5	154.4	110.1	-117.2	0	0	0	0	109.7
42	R	33.7	Very low	36.9	Very low	247 Å²	247	139.9 Å²	139.9	93%	0.932	81%	0.814	S	S	*	*			trans	-110.6	126.9	-174.8	-81.2	-177.7	172	167	-3.2	111.9
43	N	31.5	Very low	37.9	Very low	161 Å²	161	138.2 Å²	138.2	86%	0.861	80%	0.798	S	S	*	*			trans	-83.6	156.2	163.3	-69.9	-16.4	0	0	0	110.7
44	L	34	Very low	39.9	Very low	151 Å²	151	133.8 Å²	133.8	79%	0.791	78%	0.779	S	S	*	*			trans	-121.3	116.3	163.1	-70.8	176.6	0	0	0	109.9
45	F	34.6	Very low	41.4	Very low	183 Å²	183	132.4 Å²	132.4	80%	0.803	78%	0.78	S	S	*	*			trans	34	113.9	153.2	-56.1	-76.6	0	0	0	121
46	S	40.7	Very low	43.4	Very low	123 Å²	123	132.1 Å²	132.1	86%	0.86	77%	0.772	S	S	*	*			trans	-82.8	146.5	142.6	-47.4	0	0	0	0	110.3
47	P	46.5	Very low	45.2	Very low	131 Å²	131	131.6 Å²	131.6	85%	0.851	76%	0.755	S	S	*	*			trans	-124.8	163.4	152	38	-28.2	0	0	0	112.8
48	G	36.7	Very low	46.8	Very low	66 Å²	66	123.9 Å²	123.9	68%	0.68	73%	0.732	S	S	*	*			trans	-161	-174.4	162.3	0	0	0	0	0	108.5
49	P	45.3	Very low	48.5	Very low	135 Å²	135	123.8 Å²	123.8	88%	0.877	72%	0.722	S	S	*	*			cis	-94.6	-174.5	-11.2	38.4	-32.5	0	0	0	111.9
50	A	48.9	Very low	50.1	Low	93 Å²	93	122.2 Å²	122.2	77%	0.769	71%	0.714	S	S	*	*			trans	-80.2	145.3	-167.8	0	0	0	0	0	115.7
51	T	45.4	Very low	51.5	Low	127 Å²	127	118.2 Å²	118.2	78%	0.779	70%	0.699	S	S	*	*			trans	-106.2	127.9	149.1	-43.9	0	0	0	0	107.2	L53	T51-L53 PolarHBondContact O-N 3.26Å
52	V	57.8	Low	52.9	Low	143 Å²	143	116.9 Å²	116.9	87%	0.867	68%	0.682	S	S	*	*			trans	-77.4	108.3	-173.5	-177.5	0	0	0	0	110.6
53	L	61.3	Low	54.5	Low	92 Å²	92	111.8 Å²	111.8	48%	0.482	67%	0.671	S	S	.	*			trans	-124.3	150.3	173	-71.4	179.9	0	0	0	110	T51 N58 L61	T51-L53 PolarHBondContact O-N 3.26Å; L53-N58 PolarHBondContact O-ND2 3.44Å; L53-L61 HydrophobicContact CD1-CD1 4.48Å
54	S	67.6	Low	55.7	Low	57 Å²	57	110 Å²	110	40%	0.399	66%	0.661	S	S	.	*			trans	-69.3	162.1	-175.9	76.7	0	0	0	0	112	V56 T57 N58	S54-V56 PolarHBondContact O-N 3.19Å; S54-T57 PolarHBondContact N-OG1 3.34Å; S54-T57 PolarHBondContact O-N 3.34Å; S54-T57 PolarHBondContact O-OG1 3.44Å; S54-T57 PolarHBondContact OG-OG1 3.23Å; S54-N58 PolarHBondContact O-N 3.39Å; S54-N58 PolarHBondContact O-ND2 3.37Å; S54-N58 VanDerWaalsContact O-ND2 3.07Å
55	P	65.7	Low	56.9	Low	116 Å²	116	109 Å²	109	75%	0.753	66%	0.657	S	S	*	*	H	α-helix	trans	-57.2	-33.8	177.5	-26.6	35.8	0	0	0	113.1	L59	P55-L59 PolarHBondContact O-N 3.04Å
56	V	70.9	Confident	57.9	Low	112 Å²	112	106.9 Å²	106.9	68%	0.679	65%	0.653	S	S	*	*	H	α-helix	trans	-71.1	-40.9	-178.8	-175.7	0	0	0	0	111.8	S54 L59 A60	S54-V56 PolarHBondContact O-N 3.19Å; V56-L59 PolarHBondContact O-N 3.35Å; V56-A60 PolarHBondContact O-N 2.9Å; V56-A60 VanDerWaalsContact O-N 3.13Å
57	T	66.8	Low	58.4	Low	61 Å²	61	105.7 Å²	105.7	37%	0.374	65%	0.65	S	S	.	*	H	α-helix	trans	-75.1	-28	-178.7	48.7	0	0	0	0	113.3	S54 L61	S54-T57 PolarHBondContact N-OG1 3.34Å; S54-T57 PolarHBondContact O-N 3.34Å; S54-T57 PolarHBondContact O-OG1 3.44Å; S54-T57 PolarHBondContact OG-OG1 3.23Å; T57-L61 WeakPolarHBondContact O-CG 3.35Å; T57-L61 PolarHBondContact O-N 3Å
58	N	65.3	Low	58.7	Low	86 Å²	86	102.6 Å²	102.6	46%	0.46	64%	0.642	S	S	.	*	H	α-helix	trans	-66.1	-45.4	169.8	-76.7	-70.7	0	0	0	111.8	L53 S54 A60 L61 D62	L53-N58 PolarHBondContact O-ND2 3.44Å; S54-N58 PolarHBondContact O-N 3.39Å; S54-N58 PolarHBondContact O-ND2 3.37Å; S54-N58 VanDerWaalsContact O-ND2 3.07Å; N58-A60 VanDerWaalsContact C-N 3.31Å; N58-A60 PolarHBondContact O-N 3.41Å; N58-L61 PolarHBondContact O-N 2.79Å; N58-L61 VanDerWaalsContact O-N 3.11Å; N58-D62 PolarHBondContact O-N 3.46Å
59	L	66.1	Low	59.1	Low	114 Å²	114	108.1 Å²	108.1	60%	0.597	66%	0.655	S	S	*	*	H	α-helix	trans	-64.6	-35.8	-179.5	-161.6	151.2	0	0	0	112	P55 V56 D62 M63	P55-L59 PolarHBondContact O-N 3.04Å; V56-L59 PolarHBondContact O-N 3.35Å; L59-D62 PolarHBondContact O-N 3.47Å; L59-M63 HydrophobicContact CD2-CG 4.38Å; L59-M63 HydrophobicContact CD2-SD 4.16Å; L59-M63 PolarHBondContact O-N 3.15Å
60	A	65.7	Low	58.8	Low	53 Å²	53	105.4 Å²	105.4	44%	0.438	65%	0.652	S	S	.	*	H	α-helix	trans	-67.5	-31.2	173.2	0	0	0	0	0	113.8	V56 N58 N64	V56-A60 PolarHBondContact O-N 2.9Å; V56-A60 VanDerWaalsContact O-N 3.13Å; N58-A60 VanDerWaalsContact C-N 3.31Å; N58-A60 PolarHBondContact O-N 3.41Å; A60-N64 PolarHBondContact O-ND2 3.32Å
61	L	63.8	Low	58.6	Low	96 Å²	96	106.2 Å²	106.2	50%	0.503	65%	0.652	S	S	.	*	H	α-helix	trans	-73.6	-41.6	174.3	-79	165.8	0	0	0	111.7	L53 T57 N58 N64 N65	L53-L61 HydrophobicContact CD1-CD1 4.48Å; T57-L61 WeakPolarHBondContact O-CG 3.35Å; T57-L61 PolarHBondContact O-N 3Å; N58-L61 PolarHBondContact O-N 2.79Å; N58-L61 VanDerWaalsContact O-N 3.11Å; L61-N64 PolarHBondContact O-N 3.17Å; L61-N65 PolarHBondContact O-N 2.91Å; L61-N65 PolarHBondContact O-ND2 3.33Å
62	D	61.9	Low	58.3	Low	108 Å²	108	109.1 Å²	109.1	58%	0.578	66%	0.657	S	S	*	*	H	α-helix	trans	-65.9	-41.6	-176.6	-155.2	31	0	0	0	112.1	N58 L59 N64 N65	N58-D62 PolarHBondContact O-N 3.46Å; L59-D62 PolarHBondContact O-N 3.47Å; D62-N64 VanDerWaalsContact C-N 3.29Å; D62-N64 PolarHBondContact O-N 3.47Å; D62-N65 PolarHBondContact O-N 3.37Å; D62-N65 VanDerWaalsContact O-N 3.1Å
63	M	67.9	Low	57.2	Low	139 Å²	139	108.1 Å²	108.1	69%	0.685	66%	0.657	S	S	*	*	H	α-helix	trans	-62.3	-31.7	175.2	-71.9	-163.2	73.5	0	0	113.8	L59 N65 L66	L59-M63 HydrophobicContact CD2-CG 4.38Å; L59-M63 HydrophobicContact CD2-SD 4.16Å; L59-M63 PolarHBondContact O-N 3.15Å; M63-N65 VanDerWaalsContact C-N 3.26Å; M63-N65 PolarHBondContact O-N 2.91Å; M63-L66 PolarHBondContact O-N 2.83Å
64	N	57.1	Low	55.9	Low	125 Å²	125	110.3 Å²	110.3	67%	0.668	67%	0.669	S	S	*	*	H	α-helix	trans	-71.6	-20.9	177.4	-78.1	-46.9	0	0	0	112.8	A60 L61 D62	A60-N64 PolarHBondContact O-ND2 3.32Å; L61-N64 PolarHBondContact O-N 3.17Å; D62-N64 VanDerWaalsContact C-N 3.29Å; D62-N64 PolarHBondContact O-N 3.47Å
65	N	58	Low	54.6	Low	130 Å²	130	113.1 Å²	113.1	70%	0.695	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-10.1	178.8	-67.8	-40.5	0	0	0	113.9	L61 D62 M63 A67	L61-N65 PolarHBondContact O-N 2.91Å; L61-N65 PolarHBondContact O-ND2 3.33Å; D62-N65 PolarHBondContact O-N 3.37Å; D62-N65 VanDerWaalsContact O-N 3.1Å; M63-N65 VanDerWaalsContact C-N 3.26Å; M63-N65 PolarHBondContact O-N 2.91Å; N65-A67 VanDerWaalsContact C-N 3.31Å; N65-A67 PolarHBondContact O-N 2.93Å
66	L	57.1	Low	53.3	Low	137 Å²	137	114 Å²	114	72%	0.717	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-7.7	177.1	-95.9	79.5	0	0	0	114.3	M63 G68	M63-L66 PolarHBondContact O-N 2.83Å; L66-G68 PolarHBondContact O-N 3.47Å
67	A	49.9	Very low	51.6	Low	98 Å²	98	116.7 Å²	116.7	81%	0.81	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	49.9	-177.5	0	0	0	0	0	113.9	N65	N65-A67 VanDerWaalsContact C-N 3.31Å; N65-A67 PolarHBondContact O-N 2.93Å
68	G	53.5	Low	50.2	Low	66 Å²	66	125.3 Å²	125.3	68%	0.68	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.3	-9.5	-172.2	0	0	0	0	0	118.3	L66	L66-G68 PolarHBondContact O-N 3.47Å
69	L	45	Very low	48.8	Very low	182 Å²	182	132.6 Å²	132.6	95%	0.953	74%	0.739	S	S	*	*			trans	-122.2	81.1	-176.1	-76.5	168.7	0	0	0	112
70	G	40	Very low	47.4	Very low	79 Å²	79	136.6 Å²	136.6	81%	0.814	75%	0.751	S	S	*	*			trans	-140.5	39.4	-173	0	0	0	0	0	115.1
71	S	43.8	Very low	45.9	Very low	110 Å²	110	143 Å²	143	77%	0.769	77%	0.772	S	S	*	*			trans	-147.2	146.8	171.1	65.5	0	0	0	0	113.8
72	Q	39.1	Very low	45	Very low	187 Å²	187	144 Å²	144	87%	0.874	78%	0.784	S	S	*	*			trans	70.3	87.6	174.9	-53.5	-163.7	38.6	0	0	118.9
73	S	34.5	Very low	44.5	Very low	123 Å²	123	144.1 Å²	144.1	86%	0.86	79%	0.79	S	S	*	*				-161.5	125.9	123.1	15.4	0	0	0	0	109.7
74	D	33.3	Very low	42.9	Very low	138 Å²	138	145.1 Å²	145.1	74%	0.738	80%	0.797	S	S	*	*			trans	-75.8	151	-176.4	-101.8	-77.4	0	0	0	112.4	K77	D74-K77 IonicContact OD1-NZ 3.23Å; D74-K77 PolarHBondContact OD1-NZ 3.07Å
75	T	41	Very low	41.8	Very low	115 Å²	115	146 Å²	146	71%	0.706	80%	0.798	S	S	*	*			trans	-120.7	144	163.2	48.1	0	0	0	0	109.9	K77	T75-K77 PolarHBondContact O-N 3.07Å
76	P	39	Very low	40.5	Very low	134 Å²	134	147.4 Å²	147.4	87%	0.87	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-68.7	128	-168.4	25.2	-33.7	0	0	0	112.8	R78	P76-R78 PolarHBondContact O-N 3.1Å
77	K	34.9	Very low	39.4	Very low	169 Å²	169	147.2 Å²	147.2	74%	0.735	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-78.2	117.8	-168.6	-70.5	160.1	-175.2	147.2	0	112.7	D74 T75 R79	D74-K77 IonicContact OD1-NZ 3.23Å; D74-K77 PolarHBondContact OD1-NZ 3.07Å; T75-K77 PolarHBondContact O-N 3.07Å; K77-R79 PolarHBondContact O-N 2.95Å
78	R	36.2	Very low	39.3	Very low	243 Å²	243	147.8 Å²	147.8	92%	0.917	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-56.3	117.9	163	-179.6	177.7	177.5	-179.6	-0.2	109.6	P76	P76-R78 PolarHBondContact O-N 3.1Å
79	R	36.9	Very low	38.3	Very low	239 Å²	239	148.5 Å²	148.5	90%	0.902	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-67	152.6	179.9	-73.7	-172.4	173.9	-167.1	-0.9	112	K77	K77-R79 PolarHBondContact O-N 2.95Å
80	K	36.2	Very low	37.6	Very low	197 Å²	197	149.4 Å²	149.4	86%	0.857	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-100.4	148.9	173.4	-62	-178.6	179	-178.4	0	110.5
81	H	35.1	Very low	37.3	Very low	189 Å²	189	149.1 Å²	149.1	88%	0.875	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-86.4	152.5	158.3	-65.9	-91.9	0	0	0	110.1
82	P	45.1	Very low	36.9	Very low	117 Å²	117	148.8 Å²	148.8	76%	0.76	78%	0.776	S	S	*	*				-143.3	-176.3	121.3	42.1	-28.5	0	0	0	111.5
83	P	51	Low	36.6	Very low	109 Å²	109	146.7 Å²	146.7	71%	0.708	77%	0.771	S	S	*	*				-135.4	-176.2	-63.5	41.9	-26.8	0	0	0	113.7
84	L	34.6	Very low	36.7	Very low	160 Å²	160	147.2 Å²	147.2	84%	0.838	77%	0.768	S	S	*	*			trans	87.2	132.7	155.6	-73.5	170.6	0	0	0	122.3
85	E	32.7	Very low	36.9	Very low	144 Å²	144	146.1 Å²	146.1	67%	0.673	77%	0.772	S	S	*	*			trans	78.1	132.2	151.9	-68.5	-153.4	134	0	0	124.6
86	K	32.3	Very low	36.9	Very low	160 Å²	160	145.8 Å²	145.8	70%	0.696	77%	0.774	S	S	*	*			trans	73.9	81	146.2	-70.2	158.6	-174	153.1	0	120.5
87	V	32.5	Very low	36.7	Very low	132 Å²	132	147.2 Å²	147.2	80%	0.8	77%	0.774	S	S	*	*				-22.9	142.9	120.7	174.9	0	0	0	0	111.9
88	P	47.8	Very low	37	Very low	111 Å²	111	143.4 Å²	143.4	72%	0.721	78%	0.775	S	S	*	*			cis	-129.7	-168.1	32.1	10.2	18.5	0	0	0	114
89	S	33.4	Very low	37	Very low	81 Å²	81	135 Å²	135	57%	0.566	76%	0.763	S	S	*	*			cis	-179.5	159.8	-25	55.3	0	0	0	0	109.1
90	F	31.2	Very low	37	Very low	201 Å²	201	132.1 Å²	132.1	88%	0.882	76%	0.764	S	S	*	*			trans	64.1	158.4	165.1	-58.4	-58.1	0	0	0	116.2
91	A	32.5	Very low	36.9	Very low	72 Å²	72	125.9 Å²	125.9	60%	0.595	76%	0.756	S	S	*	*			cis	-167.6	167.8	-28.2	0	0	0	0	0	107.8
92	S	34.6	Very low	37.4	Very low	103 Å²	103	124.5 Å²	124.5	72%	0.72	76%	0.755	S	S	*	*			trans	60.9	167.7	156	58.6	0	0	0	0	117.7
93	D	34.1	Very low	36.7	Very low	144 Å²	144	126.5 Å²	126.5	77%	0.77	76%	0.759	S	S	*	*			cis	-154.6	168.3	-44.8	-104.1	-53.6	0	0	0	108.8
94	V	35.7	Very low	36.2	Very low	133 Å²	133	129.1 Å²	129.1	81%	0.806	77%	0.766	S	S	*	*			trans	15.6	114.1	147.3	-175.3	0	0	0	0	118.2
95	S	37.9	Very low	37	Very low	116 Å²	116	127.4 Å²	127.4	81%	0.811	76%	0.764	S	S	*	*				-156.4	134.9	124.8	61.6	0	0	0	0	113.2
96	S	41.3	Very low	37.1	Very low	107 Å²	107	125.8 Å²	125.8	75%	0.748	77%	0.769	S	S	*	*			trans	-75.7	165.3	154.6	-44.5	0	0	0	0	109.5
97	D	35.2	Very low	38.1	Very low	164 Å²	164	123.4 Å²	123.4	88%	0.877	77%	0.77	S	S	*	*				-175.6	-176.3	98.4	-154.2	5.7	0	0	0	112.2
98	A	40.8	Very low	38.2	Very low	90 Å²	90	123 Å²	123	74%	0.744	77%	0.767	S	S	*	*			trans	-95.1	178.9	-167	0	0	0	0	0	116.5
99	G	35.1	Very low	37.6	Very low	65 Å²	65	124.9 Å²	124.9	67%	0.67	77%	0.771	S	S	*	*			trans	139.6	101.1	169.4	0	0	0	0	0	111.5
100	L	38.7	Very low	37.5	Very low	179 Å²	179	124.1 Å²	124.1	94%	0.937	78%	0.777	S	S	*	*				82.6	135.9	53.5	-64.1	175.7	0	0	0	114.6
101	G	34.1	Very low	37.7	Very low	66 Å²	66	123.7 Å²	123.7	68%	0.68	78%	0.777	S	S	*	*			trans	92.3	119.5	-176.6	0	0	0	0	0	112.3
102	L	45	Very low	38	Very low	161 Å²	161	127.6 Å²	127.6	84%	0.843	79%	0.793	S	S	*	*			cis	60.8	118.8	37.4	-47.9	178.1	0	0	0	111
103	D	30.4	Very low	38.2	Very low	158 Å²	158	131.6 Å²	131.6	85%	0.845	80%	0.801	S	S	*	*				-155.9	178.4	58.7	-87.6	-41.4	0	0	0	115.3
104	L	40.9	Very low	38.4	Very low	164 Å²	164	131.6 Å²	131.6	86%	0.859	80%	0.801	S	S	*	*			trans	-113.3	154.5	168.6	-82.2	166.2	0	0	0	110.2
105	P	51.3	Low	38.5	Very low	124 Å²	124	130.4 Å²	130.4	81%	0.805	79%	0.794	S	S	*	*				-146.9	172.8	98.9	36.9	-19.8	0	0	0	115.7
106	S	34.6	Very low	38.1	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	79%	0.792	S	S	*	*			trans	-86.5	179.9	170.4	58.7	0	0	0	0	112.4
107	P	52.4	Low	38	Very low	110 Å²	110	133.1 Å²	133.1	71%	0.714	78%	0.779	S	S	*	*				-151.4	161.6	92.9	39.5	-22.2	0	0	0	117.2
108	V	36.1	Very low	38	Very low	123 Å²	123	135.6 Å²	135.6	75%	0.745	78%	0.776	S	S	*	*			trans	57.4	132.9	140.1	170.6	0	0	0	0	119.4
109	D	33.7	Very low	37.4	Very low	151 Å²	151	134.9 Å²	134.9	81%	0.807	78%	0.778	S	S	*	*			cis	-170.3	-178.2	-14.9	-96	-22.5	0	0	0	106.8
110	G	32.2	Very low	37.4	Very low	66 Å²	66	138.1 Å²	138.1	68%	0.68	79%	0.788	S	S	*	*			cis	174.2	-151.5	3.8	0	0	0	0	0	112
111	E	34.3	Very low	37.6	Very low	192 Å²	192	134.4 Å²	134.4	90%	0.897	78%	0.775	S	S	*	*			trans	36.1	110.8	166.2	-62.8	-171	175.3	0	0	121.8
112	V	40.6	Very low	37.4	Very low	153 Å²	153	139 Å²	139	93%	0.927	78%	0.784	S	S	*	*				-159.6	154.5	105.4	-94	0	0	0	0	111.8
113	E	39	Very low	36.8	Very low	188 Å²	188	136.4 Å²	136.4	88%	0.879	78%	0.779	S	S	*	*			trans	-68.9	172.3	-179.9	-72.6	-176.5	149.6	0	0	115.3
114	D	37.4	Very low	36.8	Very low	144 Å²	144	136.1 Å²	136.1	77%	0.77	78%	0.783	S	S	*	*			cis	-179.3	-171.8	-29.2	-176.1	26.1	0	0	0	107.6
115	V	38.4	Very low	36.3	Very low	108 Å²	108	136.7 Å²	136.7	66%	0.655	78%	0.781	S	S	*	*			trans	95.4	107.8	155	-176.7	0	0	0	0	119.3
116	F	28.9	Very low	35.2	Very low	177 Å²	177	134.4 Å²	134.4	78%	0.776	77%	0.773	S	S	*	*			trans	68.2	142.7	149.8	-91.8	-129.9	0	0	0	120.9
117	E	38.2	Very low	35.1	Very low	103 Å²	103	135.6 Å²	135.6	48%	0.481	78%	0.775	S	S	.	*			cis	-166	150.5	-19.7	-138.6	-158.2	159.4	0	0	110.4
118	R	35.7	Very low	34.2	Very low	215 Å²	215	141 Å²	141	81%	0.811	78%	0.783	S	S	*	*			trans	60.6	140.2	164.4	-51.7	174.4	-157.4	-129.2	-17.3	117.5
119	G	29	Very low	34	Very low	76 Å²	76	146.6 Å²	146.6	78%	0.784	79%	0.79	S	S	*	*			cis	175.5	120.6	-5.5	0	0	0	0	0	112.3
120	C	34.8	Very low	34.1	Very low	132 Å²	132	148.8 Å²	148.8	89%	0.892	79%	0.793	S	S	*	*			trans	-110.2	172	165.7	-72.8	0	0	0	0	108.6
121	P	42.8	Very low	34.6	Very low	102 Å²	102	154.6 Å²	154.6	66%	0.662	80%	0.804	S	S	*	*			cis	-136.9	-172.2	13.9	43.3	-25.8	0	0	0	114.8
122	N	30.7	Very low	35	Very low	163 Å²	163	151.2 Å²	151.2	87%	0.872	80%	0.799	S	S	*	*				-164.7	128.6	115.3	-99.7	-27.9	0	0	0	112.4
123	S	30.5	Very low	34.8	Very low	105 Å²	105	151.8 Å²	151.8	73%	0.734	80%	0.796	S	S	*	*			trans	-114	148.2	172.6	56.3	0	0	0	0	110.1
124	V	32	Very low	34.8	Very low	153 Å²	153	154.3 Å²	154.3	93%	0.927	80%	0.797	S	S	*	*			trans	-129.7	143.5	159.6	-176.1	0	0	0	0	107.3
125	H	29.4	Very low	34.8	Very low	175 Å²	175	158.2 Å²	158.2	81%	0.81	80%	0.801	S	S	*	*			trans	-135	168.3	-160	-170.8	69.4	0	0	0	112.3
126	A	29.6	Very low	35.4	Very low	77 Å²	77	161.3 Å²	161.3	64%	0.636	81%	0.812	S	S	*	*			trans	70.4	162.1	171.4	0	0	0	0	0	116
127	V	32.3	Very low	35.7	Very low	134 Å²	134	159.4 Å²	159.4	81%	0.812	81%	0.81	S	S	*	*			cis	-138.1	144.2	9.5	-175.2	0	0	0	0	110.8
128	Y	31.7	Very low	35.8	Very low	223 Å²	223	159.3 Å²	159.3	88%	0.875	82%	0.82	S	S	*	*			trans	-71.8	139.3	168.1	-102.9	-97.3	0	0	0	113
129	R	33.8	Very low	35.9	Very low	241 Å²	241	156.7 Å²	156.7	91%	0.909	82%	0.822	S	S	*	*			trans	-137.8	130.4	154.4	-82.1	-159.2	172.6	-152.1	-1.2	113.3
130	K	35.5	Very low	36.4	Very low	198 Å²	198	158.3 Å²	158.3	86%	0.861	82%	0.819	S	S	*	*			trans	-78.4	152.3	167.2	-63.4	175.2	177.8	176.6	0	110.1
131	M	42.6	Very low	37	Very low	187 Å²	187	157 Å²	157	92%	0.921	81%	0.808	S	S	*	*			trans	-127.5	143	159.4	-73.6	-163.4	174.9	0	0	110.4
132	P	41.5	Very low	36.4	Very low	122 Å²	122	160.2 Å²	160.2	79%	0.792	82%	0.815	S	S	*	*			trans	-95	157.9	-172	36.7	-35.9	0	0	0	114.5
133	I	37.6	Very low	36.7	Very low	165 Å²	165	159.5 Å²	159.5	85%	0.846	81%	0.81	S	S	*	*			trans	-65.1	144.1	175	-61.2	160.1	0	0	0	111.5
134	R	39	Very low	36.8	Very low	240 Å²	240	160.9 Å²	160.9	91%	0.906	81%	0.808	S	S	*	*			trans	-135.8	137.7	157.5	-74.7	-169.1	171	-179.5	-2.5	111.9
135	R	36.2	Very low	36.9	Very low	226 Å²	226	156.6 Å²	156.6	85%	0.853	80%	0.795	S	S	*	*			trans	-79.5	151.7	168.8	-71.2	175.7	170.8	159.5	-5.4	110.7
136	I	52.7	Low	37.1	Very low	174 Å²	174	157.5 Å²	157.5	89%	0.892	80%	0.797	S	S	*	*			trans	-136.7	160.2	146.5	43.2	175.1	0	0	0	108.5
137	N	35.2	Very low	37.2	Very low	136 Å²	136	159.6 Å²	159.6	73%	0.727	81%	0.807	S	S	*	*			trans	-111	158.3	-154.6	-57.1	-33	0	0	0	114.5
138	S	39.2	Very low	37.6	Very low	101 Å²	101	159.3 Å²	159.3	71%	0.706	81%	0.808	S	S	*	*			trans	-11	153	146.3	56.7	0	0	0	0	118.1
139	L	37	Very low	37.7	Very low	160 Å²	160	152.9 Å²	152.9	84%	0.838	80%	0.801	S	S	*	*			cis	179.9	-165.9	9.3	-108	172.1	0	0	0	106.1
140	P	41.4	Very low	37.9	Very low	111 Å²	111	148.9 Å²	148.9	72%	0.721	80%	0.797	S	S	*	*			cis	-124.9	-137.9	-10	49.4	-31.4	0	0	0	111.6
141	P	45.6	Very low	37.9	Very low	103 Å²	103	149 Å²	149	67%	0.669	80%	0.797	S	S	*	*			trans	-132.4	-160.1	-143.4	35	-6.6	0	0	0	116.1
142	Q	31.8	Very low	37.3	Very low	171 Å²	171	143.4 Å²	143.4	80%	0.799	79%	0.788	S	S	*	*			trans	76	143	175.1	-47.3	178.2	9.1	0	0	113.3
143	L	36.5	Very low	36.8	Very low	147 Å²	147	145.7 Å²	145.7	77%	0.77	79%	0.788	S	S	*	*			cis	-141.2	-175.6	37	-79.6	162.7	0	0	0	113.7
144	L	32.7	Very low	36.7	Very low	134 Å²	134	145.5 Å²	145.5	70%	0.702	78%	0.784	S	S	*	*			trans	-52.6	155.7	169.8	-44.4	86.7	0	0	0	111.5	F146	L144-F146 HydrophobicContact CD2-CE2 4.21Å; L144-F146 HydrophobicContact CD2-CZ 4.22Å
145	G	32.9	Very low	36.3	Very low	63 Å²	63	140.8 Å²	140.8	65%	0.649	78%	0.782	S	S	*	*			cis	84.8	106.9	26.9	0	0	0	0	0	110.9
146	F	34.7	Very low	36	Very low	194 Å²	194	138 Å²	138	85%	0.851	78%	0.784	S	S	*	*			trans	178.5	123.8	159.9	-86.1	-54.7	0	0	0	109	L144	L144-F146 HydrophobicContact CD2-CE2 4.21Å; L144-F146 HydrophobicContact CD2-CZ 4.22Å
147	S	31.6	Very low	35	Very low	122 Å²	122	134.6 Å²	134.6	85%	0.853	78%	0.775	S	S	*	*			trans	-99.2	130.6	168.3	-53.3	0	0	0	0	109.6
148	P	40.1	Very low	34.9	Very low	127 Å²	127	135.8 Å²	135.8	83%	0.825	78%	0.781	S	S	*	*			trans	-82.8	129.5	166.1	32.6	-30	0	0	0	109.9
149	A	34.1	Very low	34.6	Very low	89 Å²	89	140.6 Å²	140.6	74%	0.736	78%	0.784	S	S	*	*			trans	-112.5	149.5	162.8	0	0	0	0	0	108.8
150	L	37.1	Very low	34.5	Very low	156 Å²	156	142.8 Å²	142.8	82%	0.817	78%	0.783	S	S	*	*			trans	153.5	133.7	130.9	-83.8	171.1	0	0	0	113.4
151	K	35.6	Very low	34.1	Very low	201 Å²	201	140.5 Å²	140.5	87%	0.874	78%	0.78	S	S	*	*			trans	66	156.9	157.6	-63	175.4	176.8	-174	0	117.4
152	G	30.2	Very low	33.5	Very low	70 Å²	70	142.1 Å²	142.1	72%	0.722	78%	0.781	S	S	*	*			cis	139.9	123.8	-10.9	0	0	0	0	0	115.1
153	Q	32.4	Very low	33.5	Very low	169 Å²	169	144.1 Å²	144.1	79%	0.79	79%	0.788	S	S	*	*			trans	66.6	113.3	172.6	-73.1	-166.6	-75.4	0	0	120.1
154	E	34.7	Very low	33.2	Very low	162 Å²	162	140.3 Å²	140.3	76%	0.757	78%	0.784	S	S	*	*				55.1	132.8	121	-64.7	169.5	-120.2	0	0	122.5
155	T	30.5	Very low	33.1	Very low	141 Å²	141	143.7 Å²	143.7	87%	0.865	80%	0.796	S	S	*	*			trans	-144.2	144.1	147.8	51.5	0	0	0	0	111.4
156	D	29.4	Very low	33	Very low	167 Å²	167	149.2 Å²	149.2	89%	0.893	81%	0.805	S	S	*	*			trans	-59.4	168.7	179.8	-74.6	-71	0	0	0	116.5
157	S	31.9	Very low	33.6	Very low	102 Å²	102	144.3 Å²	144.3	71%	0.713	79%	0.793	S	S	*	*			trans	-123.4	145.9	177.6	-84.6	0	0	0	0	115.7
158	N	34.5	Very low	33.7	Very low	161 Å²	161	146.3 Å²	146.3	86%	0.861	79%	0.788	S	S	*	*			trans	73.3	146.5	147.4	-65.5	-25.8	0	0	0	123.1
159	R	32.7	Very low	33.3	Very low	203 Å²	203	148.2 Å²	148.2	77%	0.766	79%	0.786	S	S	*	*			trans	-159.1	157	156.9	-165.3	-178.2	-68	-167.2	1.3	110.4
160	Y	33.7	Very low	33.1	Very low	205 Å²	205	153.2 Å²	153.2	80%	0.804	80%	0.797	S	S	*	*			trans	79.7	139.3	174.6	-56.4	-83.4	0	0	0	115.6
161	G	33.2	Very low	32.7	Very low	64 Å²	64	155 Å²	155	66%	0.66	80%	0.798	S	S	*	*			cis	165.4	130.4	-11.7	0	0	0	0	0	112.4
162	I	33.9	Very low	33.1	Very low	137 Å²	137	151.1 Å²	151.1	70%	0.703	79%	0.794	S	S	*	*				118.5	154.2	90.6	-79.3	164.8	0	0	0	111.1
163	F	30.7	Very low	33.2	Very low	212 Å²	212	152 Å²	152	93%	0.93	79%	0.789	S	S	*	*			trans	79.3	139.9	-175.8	-60.5	-74.7	0	0	0	117.2
164	G	30.2	Very low	33.2	Very low	67 Å²	67	150.9 Å²	150.9	69%	0.691	79%	0.793	S	S	*	*			cis	169.9	163.2	-12.2	0	0	0	0	0	115.8
165	Q	30.6	Very low	33	Very low	205 Å²	205	147.9 Å²	147.9	96%	0.958	79%	0.79	S	S	*	*			trans	92.3	163.5	168.3	-56.7	-165.8	-1.2	0	0	121.5
166	Q	32.4	Very low	33.2	Very low	179 Å²	179	148.8 Å²	148.8	84%	0.836	78%	0.784	S	S	*	*			trans	-150.4	-179.8	-169.2	-129.2	-160.1	-6.6	0	0	107.5
167	P	46.7	Very low	33.4	Very low	92 Å²	92	150.9 Å²	150.9	60%	0.597	79%	0.786	S	S	*	*			cis	-152	-167.9	35.7	44.9	-22.5	0	0	0	117.9
168	Q	32.5	Very low	33.4	Very low	163 Å²	163	151 Å²	151	76%	0.762	78%	0.779	S	S	*	*			trans	63.7	164.1	153.2	-78.4	173.1	3.9	0	0	119.9
169	Q	32.8	Very low	33.4	Very low	167 Å²	167	151.7 Å²	151.7	78%	0.78	78%	0.782	S	S	*	*			cis	-172.4	138.4	-38.9	-117.2	-172.5	8.2	0	0	108.3
170	M	28.9	Very low	33.7	Very low	195 Å²	195	151.1 Å²	151.1	96%	0.961	79%	0.785	S	S	*	*			trans	166.8	160.2	143.1	-98.2	-174.3	167.9	0	0	115.5
171	K	28.6	Very low	33.7	Very low	194 Å²	194	149.7 Å²	149.7	84%	0.843	79%	0.786	S	S	*	*			trans	-164	158.7	174.2	-113.5	-171.1	-177.1	-171.1	0	108.8
172	P	44.7	Very low	33.8	Very low	119 Å²	119	153.7 Å²	153.7	77%	0.773	79%	0.792	S	S	*	*				-141.4	-131.3	77.6	32.7	-7.8	0	0	0	111.4
173	S	32.2	Very low	34	Very low	89 Å²	89	154.3 Å²	154.3	62%	0.622	79%	0.794	S	S	*	*			cis	-169.9	138.8	-7.2	32.9	0	0	0	0	111
174	V	31.8	Very low	34.9	Very low	144 Å²	144	149.2 Å²	149.2	87%	0.873	78%	0.782	S	S	*	*			trans	64.6	149.6	155.2	178.8	0	0	0	0	116
175	S	32	Very low	35.2	Very low	100 Å²	100	153.1 Å²	153.1	70%	0.699	78%	0.782	S	S	*	*			cis	-140.1	170	-12	43.4	0	0	0	0	107.7
176	Q	34.4	Very low	35.4	Very low	159 Å²	159	150.9 Å²	150.9	74%	0.743	77%	0.772	S	S	*	*			cis	89.1	106.1	9.4	-160.2	176	10.4	0	0	119.6	D178	Q176-D178 PolarHBondContact NE2-OD2 3.16Å
177	F	33.1	Very low	35.3	Very low	212 Å²	212	150.1 Å²	150.1	93%	0.93	77%	0.766	S	S	*	*			trans	-152.8	141	142	-127.9	-73.6	0	0	0	108.2
178	D	31.7	Very low	34.9	Very low	105 Å²	105	154.5 Å²	154.5	56%	0.561	78%	0.776	S	S	*	*			trans	-117.2	154.7	-170.5	-72.9	-84	0	0	0	112.8	Q176	Q176-D178 PolarHBondContact NE2-OD2 3.16Å
179	N	35.9	Very low	34.9	Very low	174 Å²	174	153.6 Å²	153.6	93%	0.93	77%	0.772	S	S	*	*			trans	-160.8	147	142.7	-101.8	-33.7	0	0	0	110.2
180	K	37	Very low	35.1	Very low	191 Å²	191	155.2 Å²	155.2	83%	0.83	78%	0.777	S	S	*	*			trans	-165.1	131.1	-152.6	176.9	-174.9	-174.6	179.2	0	111.7
181	E	34	Very low	35.5	Very low	175 Å²	175	153.4 Å²	153.4	82%	0.818	76%	0.764	S	S	*	*			trans	-160.3	150.5	157.9	-126.2	165.1	-141.4	0	0	114.2
182	N	35.3	Very low	36.1	Very low	148 Å²	148	152.8 Å²	152.8	79%	0.791	76%	0.761	S	S	*	*			trans	67.8	120.4	171.4	-60.5	-33.9	0	0	0	120.6
183	M	38.8	Very low	36	Very low	150 Å²	150	153.5 Å²	153.5	74%	0.739	77%	0.766	S	S	*	*			trans	-156.3	160	178.5	-92.8	-70.2	-77.2	0	0	104.8	E185	M183-E185 HydrophobicContact CE-CG 3.64Å
184	P	49	Very low	36.1	Very low	105 Å²	105	154.4 Å²	154.4	68%	0.682	77%	0.772	S	S	*	*			cis	-135.1	157.4	46.8	36.7	-15.4	0	0	0	115
185	E	36	Very low	36.7	Very low	150 Å²	150	157 Å²	157	70%	0.701	77%	0.771	S	S	*	*				62.6	143.3	102.1	-47.7	-176.1	159.1	0	0	114.9	M183	M183-E185 HydrophobicContact CE-CG 3.64Å
186	E	35.3	Very low	37	Very low	158 Å²	158	158.4 Å²	158.4	74%	0.738	78%	0.778	S	S	*	*			cis	-136.8	146.8	29.1	-75.5	-175.1	113.5	0	0	115.7
187	F	31.6	Very low	36.6	Very low	163 Å²	163	155.7 Å²	155.7	72%	0.715	78%	0.783	S	S	*	*			trans	62.2	138.3	138.2	-75.8	-128.6	0	0	0	119.9
188	F	37.1	Very low	36.5	Very low	183 Å²	183	150.9 Å²	150.9	80%	0.803	78%	0.775	S	S	*	*			cis	-154	140.9	4.7	-155	-128.8	0	0	0	111.1
189	E	32.8	Very low	36.3	Very low	145 Å²	145	157.6 Å²	157.6	68%	0.678	79%	0.793	S	S	*	*			trans	-95.7	144.2	-179.1	-154.7	-157.1	142.9	0	0	113.2	K191	E189-K191 PolarHBondContact O-N 2.89Å; E189-K191 IonicContact OE1-NZ 3.83Å; E189-K191 PolarHBondContact OE1-NZ 3.15Å
190	F	36.3	Very low	36	Very low	200 Å²	200	154.8 Å²	154.8	88%	0.877	79%	0.786	S	S	*	*			trans	-93.7	78.6	-170.8	-173.5	-97.5	0	0	0	114.3
191	K	37.6	Very low	35.5	Very low	158 Å²	158	157.8 Å²	157.8	69%	0.687	79%	0.793	S	S	*	*			trans	-153.9	132.6	168.1	-65.1	-165.7	-172.1	90.5	0	110.3	E189	E189-K191 PolarHBondContact O-N 2.89Å; E189-K191 IonicContact OE1-NZ 3.83Å; E189-K191 PolarHBondContact OE1-NZ 3.15Å
192	K	42.2	Very low	35.3	Very low	180 Å²	180	152.7 Å²	152.7	78%	0.783	79%	0.787	S	S	*	*			cis	-147	160.5	-5.5	-50	172.3	-178.3	167.7	0	108.4	S194	K192-S194 PolarHBondContact O-N 2.88Å
193	P	41.8	Very low	34.9	Very low	135 Å²	135	157.4 Å²	157.4	88%	0.877	79%	0.794	S	S	*	*			trans	-90.1	94.9	160.4	11.8	6.3	0	0	0	111.2
194	S	35.2	Very low	34.3	Very low	107 Å²	107	154.7 Å²	154.7	75%	0.748	79%	0.789	S	S	*	*			trans	-94.1	108	163.3	54	0	0	0	0	110.4	K192	K192-S194 PolarHBondContact O-N 2.88Å
195	K	44.5	Very low	33.1	Very low	200 Å²	200	159.6 Å²	159.6	87%	0.87	80%	0.801	S	S	*	*			trans	-6.3	127.4	172.9	-56.9	176.4	-177.6	178.1	0	118.1
196	P	36.6	Very low	32.7	Very low	129 Å²	129	159.2 Å²	159.2	84%	0.838	80%	0.803	S	S	*	*			trans	-90.2	151.6	142	34.8	-30.3	0	0	0	111.2
197	A	26.9	Very low	32.3	Very low	102 Å²	102	154.8 Å²	154.8	84%	0.843	80%	0.8	S	S	*	*			trans	-134.4	121	169.6	0	0	0	0	0	111.1
198	S	30.6	Very low	32.1	Very low	110 Å²	110	150.9 Å²	150.9	77%	0.769	81%	0.806	S	S	*	*			trans	-165.2	121.5	164.4	46.6	0	0	0	0	108.5
199	R	28.2	Very low	31.7	Very low	247 Å²	247	150.6 Å²	150.6	93%	0.932	81%	0.807	S	S	*	*				82.7	72.5	74.5	-74.9	-176.3	171.5	-164.5	1.6	115.7
200	S	28.9	Very low	31.7	Very low	114 Å²	114	150.6 Å²	150.6	80%	0.797	81%	0.81	S	S	*	*			trans	-131.7	134	134.5	49.4	0	0	0	0	106.5
201	R	27.7	Very low	31.6	Very low	254 Å²	254	150.3 Å²	150.3	96%	0.958	81%	0.809	S	S	*	*			cis	73	106.5	30.4	-75.3	-165.9	169.2	-164.7	-0.4	114.8
202	G	28.6	Very low	31.3	Very low	68 Å²	68	150.3 Å²	150.3	70%	0.701	82%	0.816	S	S	*	*			trans	133.4	94.1	-175.2	0	0	0	0	0	107
203	R	27	Very low	30.8	Very low	247 Å²	247	145.6 Å²	145.6	93%	0.932	81%	0.811	S	S	*	*				49.8	126.9	55	-59.4	-172.6	-176.7	-116.9	4.7	110.8
204	S	26	Very low	30.3	Very low	93 Å²	93	149 Å²	149	65%	0.65	81%	0.813	S	S	*	*			cis	-146.5	137.1	26.3	-169.6	0	0	0	0	114.1	N206	S204-N206 PolarHBondContact OG-N 3.3Å
205	F	24.5	Very low	30.1	Very low	209 Å²	209	148.8 Å²	148.8	92%	0.917	82%	0.817	S	S	*	*			trans	-124.4	98.2	134.7	-88.9	-71	0	0	0	107.8
206	N	26.7	Very low	29.5	Very low	142 Å²	142	144.3 Å²	144.3	76%	0.759	82%	0.817	S	S	*	*				-67.9	129.8	128.5	-75.3	6.5	0	0	0	104.3	S204	S204-N206 PolarHBondContact OG-N 3.3Å
207	G	27.1	Very low	29.4	Very low	65 Å²	65	149.7 Å²	149.7	67%	0.67	82%	0.821	S	S	*	*			cis	104.4	99.7	32.8	0	0	0	0	0	105.7
208	G	28.5	Very low	30.4	Very low	81 Å²	81	150.1 Å²	150.1	84%	0.835	82%	0.815	S	S	*	*			trans	-64.6	158.9	-179.9	0	0	0	0	0	111.2
209	H	28.6	Very low	30.5	Very low	177 Å²	177	149.9 Å²	149.9	82%	0.819	81%	0.813	S	S	*	*			trans	-118.1	124.7	169.5	-154.4	-88.6	0	0	0	109.8
210	L	33.4	Very low	30.8	Very low	144 Å²	144	143.5 Å²	143.5	75%	0.754	81%	0.807	S	S	*	*			trans	-64.5	142.7	166	-76.4	74.2	0	0	0	109
211	K	32.5	Very low	30.7	Very low	194 Å²	194	142.4 Å²	142.4	84%	0.843	81%	0.805	S	S	*	*				155.5	142.6	122.3	-86.1	172.4	179.8	-179	0	111.6
212	D	31.2	Very low	32.4	Very low	159 Å²	159	136.3 Å²	136.3	85%	0.85	80%	0.798	S	S	*	*			trans	-68.7	178.3	159.5	-64.7	-73.5	0	0	0	112.6
213	A	32	Very low	32.5	Very low	81 Å²	81	137.3 Å²	137.3	67%	0.669	80%	0.8	S	S	*	*			trans	90.8	94	159.8	0	0	0	0	0	118.6
214	F	31.2	Very low	33	Very low	207 Å²	207	132.8 Å²	132.8	91%	0.908	79%	0.793	S	S	*	*			trans	52.6	108.4	142.6	-56.2	-77.3	0	0	0	120.7
215	A	31.4	Very low	33.2	Very low	101 Å²	101	134.9 Å²	134.9	84%	0.835	79%	0.794	S	S	*	*				179.6	150.4	108.7	0	0	0	0	0	114.1
216	A	31.1	Very low	33.6	Very low	107 Å²	107	132.2 Å²	132.2	88%	0.884	79%	0.789	S	S	*	*			trans	67.7	155.2	159.4	0	0	0	0	0	121.4
217	R	35.3	Very low	33.7	Very low	242 Å²	242	130.9 Å²	130.9	91%	0.913	79%	0.79	S	S	*	*			trans	-104.8	174.9	177.9	-85.1	-176	174.9	-168.2	-0.4	109.3
218	P	48.5	Very low	34.1	Very low	111 Å²	111	132.6 Å²	132.6	72%	0.721	79%	0.792	S	S	*	*			cis	-144.6	-172.9	23.2	42.7	-21.1	0	0	0	117.9
219	S	32.1	Very low	35.2	Very low	104 Å²	104	134.1 Å²	134.1	73%	0.727	79%	0.788	S	S	*	*			trans	19.6	149.1	145.8	59.9	0	0	0	0	122.2
220	S	34.3	Very low	36.1	Very low	114 Å²	114	130.9 Å²	130.9	80%	0.797	78%	0.782	S	S	*	*			cis	-175.1	159	-5.3	44.1	0	0	0	0	110.2
221	A	26.9	Very low	36.7	Very low	91 Å²	91	128.9 Å²	128.9	75%	0.752	78%	0.778	S	S	*	*			trans	-93	-176.5	168.3	0	0	0	0	0	111
222	P	63.5	Low	36.8	Very low	126 Å²	126	126.6 Å²	126.6	82%	0.818	77%	0.773	S	S	*	*			cis	-137.8	-144.9	2.3	44.4	-24.1	0	0	0	113.7
223	A	30.7	Very low	36.8	Very low	89 Å²	89	125.5 Å²	125.5	74%	0.736	76%	0.763	S	S	*	*			trans	101.4	151.4	163.8	0	0	0	0	0	118
224	L	38.2	Very low	36.7	Very low	151 Å²	151	127.9 Å²	127.9	79%	0.791	76%	0.76	S	S	*	*			cis	-174.4	-177.9	-38.6	-112.7	171.1	0	0	0	109.9
225	M	30.2	Very low	36.6	Very low	137 Å²	137	125.3 Å²	125.3	68%	0.675	76%	0.755	S	S	*	*			trans	78.3	133.4	171	-54.1	-66.3	89.2	0	0	116.1
226	L	33.1	Very low	36.3	Very low	153 Å²	153	125.9 Å²	125.9	80%	0.801	74%	0.741	S	S	*	*				71.6	141	60	-59.7	-176.3	0	0	0	113
227	S	27	Very low	36.3	Very low	114 Å²	114	130.9 Å²	130.9	80%	0.797	74%	0.738	S	S	*	*			cis	-153.1	-177.6	14.9	60.9	0	0	0	0	114.9
228	S	35.8	Very low	35.9	Very low	102 Å²	102	125.4 Å²	125.4	71%	0.713	73%	0.727	S	S	*	*			trans	-90.1	-165	171.2	59.8	0	0	0	0	111.9
229	P	51.5	Low	35.1	Very low	113 Å²	113	125.1 Å²	125.1	73%	0.734	73%	0.728	S	S	*	*			cis	-134.9	-113.7	6.7	29.2	-0.2	0	0	0	119.7
230	P	47.3	Very low	35.1	Very low	109 Å²	109	125.6 Å²	125.6	71%	0.708	73%	0.731	S	S	*	*				-129.8	-148.4	-112.4	43.4	-22.7	0	0	0	115.8
231	P	47.7	Very low	35.6	Very low	102 Å²	102	125.3 Å²	125.3	66%	0.662	73%	0.726	S	S	*	*				-131.2	-167.2	-55.2	30.7	-8.4	0	0	0	115.6
232	I	33.7	Very low	35.7	Very low	146 Å²	146	127 Å²	127	75%	0.749	73%	0.727	S	S	*	*			trans	87.1	156.6	143.8	-119.1	169.7	0	0	0	116.8
233	Q	31.8	Very low	34.1	Very low	136 Å²	136	129.3 Å²	129.3	64%	0.636	73%	0.725	S	S	*	*			cis	-160.9	136	4.8	-170.4	161.8	-26.5	0	0	114.3
234	Q	28.9	Very low	33.9	Very low	130 Å²	130	131.7 Å²	131.7	61%	0.607	72%	0.724	S	S	*	*			trans	55.4	161.2	158.2	-64.7	-179.6	-82	0	0	119.8	E236	Q234-E236 VanDerWaalsContact CG-OE1 3.23Å; Q234-E236 WeakPolarHBondContact CG-OE1 3.5Å; Q234-E236 PolarHBondContact NE2-OE1 3.36Å
235	L	28.8	Very low	33.6	Very low	153 Å²	153	134.8 Å²	134.8	80%	0.801	73%	0.725	S	S	*	*			cis	-147.4	-170.8	16.8	-153.8	129.4	0	0	0	110.3
236	E	26.3	Very low	33.4	Very low	114 Å²	114	139.6 Å²	139.6	53%	0.533	74%	0.736	S	S	.	*				-145.2	173	-104.4	-87.9	155.8	-103.5	0	0	112.9	Q234	Q234-E236 VanDerWaalsContact CG-OE1 3.23Å; Q234-E236 WeakPolarHBondContact CG-OE1 3.5Å; Q234-E236 PolarHBondContact NE2-OE1 3.36Å
237	Y	30.1	Very low	33.2	Very low	212 Å²	212	137 Å²	137	83%	0.831	73%	0.731	S	S	*	*			trans	68.2	143.3	179.8	-71.6	-95	0	0	0	117.6
238	D	27.8	Very low	33.3	Very low	127 Å²	127	137.6 Å²	137.6	68%	0.679	74%	0.735	S	S	*	*			cis	-143.8	154.6	7.4	-150.8	-18.7	0	0	0	114.5
239	S	31	Very low	33.1	Very low	105 Å²	105	140.4 Å²	140.4	73%	0.734	74%	0.741	S	S	*	*			trans	28.1	122.4	156.7	-64.8	0	0	0	0	123.5
240	S	32.1	Very low	32.1	Very low	113 Å²	113	141.3 Å²	141.3	79%	0.79	75%	0.745	S	S	*	*			trans	-94.3	-165	150.9	-55.8	0	0	0	0	109.3
241	P	45	Very low	31.3	Very low	109 Å²	109	142 Å²	142	71%	0.708	75%	0.752	S	S	*	*			cis	-143.5	-159.6	3.3	30.2	-2	0	0	0	115.7
242	V	29.6	Very low	30.7	Very low	127 Å²	127	142.6 Å²	142.6	77%	0.77	76%	0.759	S	S	*	*			trans	79.7	144.7	159.7	-168.4	0	0	0	0	117.4
243	F	29.3	Very low	30.7	Very low	174 Å²	174	143.4 Å²	143.4	76%	0.763	76%	0.764	S	S	*	*				-177	149	-50.4	-114.8	-59.3	0	0	0	108.9
244	L	26.7	Very low	31	Very low	138 Å²	138	143.7 Å²	143.7	72%	0.723	77%	0.769	S	S	*	*			trans	69	107.3	153.8	-63.1	173.2	0	0	0	122.7
245	R	31.6	Very low	31.4	Very low	217 Å²	217	144.8 Å²	144.8	82%	0.819	78%	0.78	S	S	*	*				53.1	121	125	-69.8	-174.1	168.4	-158.9	-2.4	121.6
246	R	26.8	Very low	32.4	Very low	237 Å²	237	144.7 Å²	144.7	89%	0.894	78%	0.78	S	S	*	*				-160.7	129.2	99.7	-99.8	171	166.4	168.1	-4.3	108.1
247	S	28	Very low	33.4	Very low	100 Å²	100	147.8 Å²	147.8	70%	0.699	79%	0.794	S	S	*	*				82.3	90.8	63.3	-60.8	0	0	0	0	114
248	S	30.6	Very low	34.2	Very low	126 Å²	126	144.1 Å²	144.1	88%	0.881	79%	0.789	S	S	*	*			trans	-117.3	153.5	158.2	-61.8	0	0	0	0	109.2
249	L	30.6	Very low	35.2	Very low	160 Å²	160	144.9 Å²	144.9	84%	0.838	79%	0.793	S	S	*	*			trans	-121.4	146.8	-173.9	-79.2	168.1	0	0	0	111.8
250	T	30.3	Very low	36.2	Very low	132 Å²	132	141.4 Å²	141.4	81%	0.81	77%	0.774	S	S	*	*			trans	49.4	100.5	151.2	55.6	0	0	0	0	119.3
251	S	31.4	Very low	36.8	Very low	125 Å²	125	142.6 Å²	142.6	87%	0.874	77%	0.765	S	S	*	*			trans	-154.8	76.4	137.8	61.9	0	0	0	0	110.6
252	S	35.4	Very low	37.1	Very low	114 Å²	114	143.3 Å²	143.3	80%	0.797	76%	0.762	S	S	*	*			trans	-107.5	104.4	161.2	58.4	0	0	0	0	107.7
253	L	33.1	Very low	38.3	Very low	162 Å²	162	141.9 Å²	141.9	85%	0.848	75%	0.75	S	S	*	*			trans	-117.3	145.1	167.3	-79	166.8	0	0	0	107.6
254	N	36.8	Very low	39.4	Very low	142 Å²	142	137.4 Å²	137.4	76%	0.759	74%	0.737	S	S	*	*			trans	-94.1	130	170.8	-43.5	-50.6	0	0	0	106.5	D256	N254-D256 PolarHBondContact O-N 3.25Å
255	D	38.5	Very low	40.6	Very low	154 Å²	154	136.1 Å²	136.1	82%	0.824	73%	0.731	S	S	*	*			trans	-85.1	95.2	170.9	-80.5	-29.5	0	0	0	109.5
256	D	48.9	Very low	41.5	Very low	151 Å²	151	131.9 Å²	131.9	81%	0.807	72%	0.724	S	S	*	*			trans	-115.7	3.6	166.7	-81.1	-64.4	0	0	0	111.8	N254	N254-D256 PolarHBondContact O-N 3.25Å
257	E	47.8	Very low	42.7	Very low	178 Å²	178	126.7 Å²	126.7	83%	0.832	71%	0.714	S	S	*	*			trans	-124.7	61.3	173.2	-67.8	-168.7	137.3	0	0	110.6	D259	E257-D259 PolarHBondContact O-N 2.78Å
258	D	47.3	Very low	43.6	Very low	135 Å²	135	128 Å²	128	72%	0.722	71%	0.714	S	S	*	*			trans	-69.7	75.6	162	-177.7	18.1	0	0	0	109.8	G260	D258-G260 VanDerWaalsContact C-N 3.25Å; D258-G260 PolarHBondContact O-N 2.82Å
259	D	47.7	Very low	44.7	Very low	144 Å²	144	130 Å²	130	77%	0.77	71%	0.711	S	S	*	*			trans	-62.4	89.3	163.3	-106.4	-4.2	0	0	0	107.6	E257 F261	E257-D259 PolarHBondContact O-N 2.78Å; D259-F261 WeakPolarHBondContact O-CB 3.45Å; D259-F261 PolarHBondContact O-N 3.34Å
260	G	53.7	Low	45.6	Very low	32 Å²	32	128.6 Å²	128.6	33%	0.33	71%	0.708	S	S	.	*	S	Bend	trans	-48.3	75.4	-172.8	0	0	0	0	0	116	D258	D258-G260 VanDerWaalsContact C-N 3.25Å; D258-G260 PolarHBondContact O-N 2.82Å
261	F	44.2	Very low	46.6	Very low	138 Å²	138	129.3 Å²	129.3	61%	0.605	71%	0.708	S	S	*	*			trans	-112.1	-29.4	-176.4	178.1	-93.1	0	0	0	109.8	D259 V264 L265	D259-F261 WeakPolarHBondContact O-CB 3.45Å; D259-F261 PolarHBondContact O-N 3.34Å; F261-V264 PolarHBondContact O-N 3.35Å; F261-L265 HydrophobicContact CE1-CD1 4.35Å
262	L	51.5	Low	47.1	Very low	123 Å²	123	130.6 Å²	130.6	64%	0.644	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-35.1	176.3	-146.8	149.4	0	0	0	111.5	V264 L265 D266	L262-V264 PolarHBondContact O-N 2.92Å; L262-L265 PolarHBondContact O-N 2.95Å; L262-D266 PolarHBondContact O-N 3.06Å
263	D	54.2	Low	47.9	Very low	97 Å²	97	130.7 Å²	130.7	52%	0.519	71%	0.705	S	S	.	*	H	α-helix	trans	-44	-27.2	165.4	-97.5	15.1	0	0	0	114.1	R550	D263-R550 IonicContact OD2-NH1 2.7Å; D263-R550 PolarHBondContact OD2-NH1 3.09Å
264	V	52.8	Low	49.1	Very low	81 Å²	81	125.6 Å²	125.6	49%	0.491	69%	0.692	S	S	.	*	H	α-helix	trans	-94.4	-15.4	-175.1	-174.9	0	0	0	0	112.3	F261 L262	F261-V264 PolarHBondContact O-N 3.35Å; L262-V264 PolarHBondContact O-N 2.92Å
265	L	52.4	Low	50.1	Low	111 Å²	111	126 Å²	126	58%	0.581	69%	0.691	S	S	*	*	H	α-helix	trans	-95.4	-31.5	179.8	-68.8	171.1	0	0	0	112.9	F261 L262 N268	F261-L265 HydrophobicContact CE1-CD1 4.35Å; L262-L265 PolarHBondContact O-N 2.95Å; L265-N268 PolarHBondContact O-N 2.93Å
266	D	49.5	Very low	50.9	Low	128 Å²	128	122.6 Å²	122.6	68%	0.684	68%	0.678	S	S	*	*	H	α-helix	trans	-71.5	-46.8	-176.1	-149.8	46.1	0	0	0	112	L262 N268 M269	L262-D266 PolarHBondContact O-N 3.06Å; D266-N268 PolarHBondContact O-N 3.43Å; D266-M269 PolarHBondContact O-N 2.94Å
267	D	51.4	Low	51.4	Low	128 Å²	128	121.6 Å²	121.6	68%	0.684	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-4.1	177.7	-126.3	19	0	0	0	113.4
268	N	48.6	Very low	51.9	Low	128 Å²	128	116 Å²	116	68%	0.684	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	2.1	-173.4	-125	102.6	0	0	0	114.1	L265 D266 V270	L265-N268 PolarHBondContact O-N 2.93Å; D266-N268 PolarHBondContact O-N 3.43Å; N268-V270 PolarHBondContact O-N 3.39Å; N268-V270 VanDerWaalsContact O-N 3.09Å
269	M	52.7	Low	52.5	Low	168 Å²	168	115.1 Å²	115.1	83%	0.828	66%	0.66	S	S	*	*			trans	-80.2	39.2	174.3	-71.3	-143.5	75	0	0	114.2	D266	D266-M269 PolarHBondContact O-N 2.94Å
270	V	48.7	Very low	53.1	Low	129 Å²	129	110.6 Å²	110.6	78%	0.782	64%	0.643	S	S	*	*	S	Bend	trans	-103.7	91.9	172	-175.1	0	0	0	0	110.1	N268	N268-V270 PolarHBondContact O-N 3.39Å; N268-V270 VanDerWaalsContact O-N 3.09Å
271	D	52.6	Low	53.3	Low	148 Å²	148	113.1 Å²	113.1	79%	0.791	66%	0.655	S	S	*	*			trans	49.3	85.3	160.6	-160	19.1	0	0	0	117.7
272	D	40.5	Very low	54.3	Low	152 Å²	152	113.2 Å²	113.2	81%	0.813	66%	0.661	S	S	*	*			trans	-136.2	109	156.8	-164.9	-16.6	0	0	0	110.5	G274	D272-G274 PolarHBondContact O-N 3.06Å; D272-G274 PolarHBondContact OD1-N 2.73Å; D272-G274 VanDerWaalsContact OD1-N 3.16Å
273	S	53.7	Low	54.5	Low	115 Å²	115	115 Å²	115	80%	0.804	67%	0.671	S	S	*	*			trans	-89.1	25.5	-177.4	41.4	0	0	0	0	113.3	M275	S273-M275 PolarHBondContact O-N 2.99Å
274	G	58.6	Low	54.6	Low	56 Å²	56	115.7 Å²	115.7	58%	0.577	68%	0.679	S	S	*	*			trans	-88.4	24.1	-169.6	0	0	0	0	0	119.1	D272 P276	D272-G274 PolarHBondContact O-N 3.06Å; D272-G274 PolarHBondContact OD1-N 2.73Å; D272-G274 VanDerWaalsContact OD1-N 3.16Å; G274-P276 WeakPolarHBondContact O-CD 3.31Å
275	M	56.1	Low	54.6	Low	149 Å²	149	114.9 Å²	114.9	73%	0.734	68%	0.681	S	S	*	*			trans	-67.7	120	179.9	-176.3	70.1	75.7	0	0	111.9	S273 T277	S273-M275 PolarHBondContact O-N 2.99Å; M275-T277 PolarHBondContact O-N 3.37Å
276	P	55.9	Low	54.5	Low	84 Å²	84	115 Å²	115	55%	0.545	69%	0.688	S	S	.	*			trans	-68.3	125.1	-178.1	26.7	-34.3	0	0	0	111.9	G274 G278 M279	G274-P276 WeakPolarHBondContact O-CD 3.31Å; P276-G278 PolarHBondContact O-N 3.36Å; P276-M279 HydrophobicContact CG-CG 4.37Å; P276-M279 PolarHBondContact O-N 2.9Å; P276-M279 VanDerWaalsContact O-N 3.13Å
277	T	58.7	Low	54.4	Low	130 Å²	130	117.4 Å²	117.4	80%	0.798	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-22.1	-162	-33.2	0	0	0	0	115	M275 M279	M275-T277 PolarHBondContact O-N 3.37Å; T277-M279 PolarHBondContact O-N 3.07Å
278	G	59.3	Low	54.1	Low	61 Å²	61	119.6 Å²	119.6	63%	0.629	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-19.4	179.3	0	0	0	0	0	115.5	P276	P276-G278 PolarHBondContact O-N 3.36Å
279	M	58.8	Low	53.7	Low	115 Å²	115	117.3 Å²	117.3	57%	0.567	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-30.9	-175.8	-71.5	-89.9	-78	0	0	113.1	P276 T277 S281 L282	P276-M279 HydrophobicContact CG-CG 4.37Å; P276-M279 PolarHBondContact O-N 2.9Å; P276-M279 VanDerWaalsContact O-N 3.13Å; T277-M279 PolarHBondContact O-N 3.07Å; M279-S281 VanDerWaalsContact C-N 3.32Å; M279-S281 PolarHBondContact O-N 3.12Å; M279-L282 PolarHBondContact O-N 3.33Å
280	A	60.6	Low	53	Low	50 Å²	50	116.6 Å²	116.6	41%	0.413	71%	0.707	S	S	.	*	H	α-helix	trans	-59.5	-41.7	-177.8	0	0	0	0	0	112.3	L282 L283 T284	A280-L282 PolarHBondContact O-N 3.38Å; A280-L282 VanDerWaalsContact O-N 3.12Å; A280-L283 PolarHBondContact O-N 3.25Å; A280-T284 PolarHBondContact O-N 2.66Å; A280-T284 PolarHBondContact O-OG1 2.74Å
281	S	59.2	Low	52.5	Low	84 Å²	84	117.8 Å²	117.8	59%	0.587	71%	0.709	S	S	*	*	H	α-helix	trans	-59.4	-24.7	-179.6	-54.5	0	0	0	0	114.1	M279 A285	M279-S281 VanDerWaalsContact C-N 3.32Å; M279-S281 PolarHBondContact O-N 3.12Å; S281-A285 WeakPolarHBondContact O-CB 3.48Å; S281-A285 PolarHBondContact O-N 2.65Å
282	L	63.9	Low	51.6	Low	140 Å²	140	117.6 Å²	117.6	73%	0.733	71%	0.713	S	S	*	*	H	α-helix	trans	-78	-24.5	177.5	-65.5	174.4	0	0	0	113.1	M279 A280	M279-L282 PolarHBondContact O-N 3.33Å; A280-L282 PolarHBondContact O-N 3.38Å; A280-L282 VanDerWaalsContact O-N 3.12Å
283	L	57.3	Low	51.5	Low	160 Å²	160	113.7 Å²	113.7	84%	0.838	71%	0.708	S	S	*	*	H	α-helix	trans	-98	-16.7	-178	-60.4	178.4	0	0	0	112.9	A280	A280-L283 PolarHBondContact O-N 3.25Å
284	T	56.4	Low	50.7	Low	113 Å²	113	117.3 Å²	117.3	69%	0.693	71%	0.713	S	S	*	*	H	α-helix	trans	-114.1	1.7	-177.2	-35.3	0	0	0	0	113.7	A280 P286	A280-T284 PolarHBondContact O-N 2.66Å; A280-T284 PolarHBondContact O-OG1 2.74Å; T284-P286 WeakPolarHBondContact O-CD 3.2Å
285	A	50.9	Low	49.7	Very low	64 Å²	64	122 Å²	122	53%	0.529	73%	0.725	S	S	.	*			trans	-68.9	125.2	177.2	0	0	0	0	0	112.4	S281 L287	S281-A285 WeakPolarHBondContact O-CB 3.48Å; S281-A285 PolarHBondContact O-N 2.65Å; A285-L287 PolarHBondContact O-N 2.69Å
286	P	50.4	Low	48.9	Very low	114 Å²	114	120.5 Å²	120.5	74%	0.74	73%	0.729	S	S	*	*			trans	-67.6	127.7	171.2	-18.9	32.8	0	0	0	111.3	T284 M288	T284-P286 WeakPolarHBondContact O-CD 3.2Å; P286-M288 PolarHBondContact O-N 3.42Å
287	L	47.4	Very low	48.4	Very low	178 Å²	178	122.3 Å²	122.3	93%	0.932	74%	0.741	S	S	*	*			trans	-74.5	89.8	173.4	-66.9	175.2	0	0	0	110.4	A285	A285-L287 PolarHBondContact O-N 2.69Å
288	M	45.3	Very low	47.3	Very low	174 Å²	174	123.4 Å²	123.4	86%	0.857	74%	0.74	S	S	*	*			trans	-75.1	128	167.5	-74.2	-171.3	159.2	0	0	110.4	P286	P286-M288 PolarHBondContact O-N 3.42Å
289	A	40.4	Very low	46.2	Very low	80 Å²	80	126.4 Å²	126.4	66%	0.661	75%	0.745	S	S	*	*			trans	-117.2	85.7	-179.5	0	0	0	0	0	110.1	N291	A289-N291 PolarHBondContact O-ND2 3.06Å; A289-N291 VanDerWaalsContact O-ND2 3.12Å
290	D	38.2	Very low	45.1	Very low	153 Å²	153	132 Å²	132	82%	0.818	76%	0.76	S	S	*	*			trans	-76.8	127.9	172.3	-75.2	-38.1	0	0	0	110.6
291	N	37.9	Very low	44	Very low	153 Å²	153	135 Å²	135	82%	0.818	78%	0.777	S	S	*	*			trans	-108	84.1	-171.2	-75	-80.2	0	0	0	112.5	A289	A289-N291 PolarHBondContact O-ND2 3.06Å; A289-N291 VanDerWaalsContact O-ND2 3.12Å
292	T	34.9	Very low	43.2	Very low	145 Å²	145	141.9 Å²	141.9	89%	0.89	79%	0.79	S	S	*	*			trans	-151	144.9	158.7	50.5	0	0	0	0	108.5
293	G	37	Very low	42.1	Very low	69 Å²	69	140.8 Å²	140.8	71%	0.711	79%	0.792	S	S	*	*			cis	-177.4	153.1	-10.9	0	0	0	0	0	110
294	E	36.9	Very low	41.4	Very low	191 Å²	191	144.2 Å²	144.2	89%	0.893	79%	0.793	S	S	*	*			trans	72.5	122.5	167.8	-51.9	-168.5	151.4	0	0	120.6
295	D	38.2	Very low	40.5	Very low	156 Å²	156	146.5 Å²	146.5	83%	0.834	80%	0.801	S	S	*	*			trans	49.4	97.6	142.1	-66.6	7.6	0	0	0	124
296	S	39.4	Very low	40.2	Very low	117 Å²	117	149.7 Å²	149.7	82%	0.818	81%	0.809	S	S	*	*			trans	-161.5	154.8	135.4	-88.5	0	0	0	0	112.9
297	P	44.8	Very low	39.6	Very low	122 Å²	122	153.3 Å²	153.3	79%	0.792	81%	0.813	S	S	*	*			trans	-82.9	130.2	-162.2	30.5	-35.8	0	0	0	115.7
298	I	35	Very low	39.1	Very low	153 Å²	153	157 Å²	157	79%	0.785	82%	0.815	S	S	*	*			trans	-82.9	118.3	178.5	-61.9	173.6	0	0	0	112	R300	I298-R300 PolarHBondContact O-N 3.11Å
299	V	36.9	Very low	38.6	Very low	123 Å²	123	153.9 Å²	153.9	75%	0.745	81%	0.81	S	S	*	*			trans	-72.5	113.2	173.1	179	0	0	0	0	110.8	C301	V299-C301 PolarHBondContact O-N 3.15Å
300	R	35.8	Very low	38.5	Very low	233 Å²	233	156.5 Å²	156.5	88%	0.879	82%	0.82	S	S	*	*			trans	-86.8	78.3	-178.1	-72.9	-178.6	171.8	146.3	-1.1	113.4	I298 R302	I298-R300 PolarHBondContact O-N 3.11Å; R300-R302 PolarHBondContact O-N 3.48Å
301	C	37.3	Very low	38.3	Very low	113 Å²	113	154.3 Å²	154.3	76%	0.764	82%	0.817	S	S	*	*			trans	-78.7	105.8	169	-70.4	0	0	0	0	111.6	V299	V299-C301 PolarHBondContact O-N 3.15Å
302	R	43.1	Very low	38.4	Very low	229 Å²	229	155.3 Å²	155.3	86%	0.864	82%	0.819	S	S	*	*			trans	-84.3	123.8	166.3	-72.8	-175.5	175.7	-178.1	-0.2	110.2	R300	R300-R302 PolarHBondContact O-N 3.48Å
303	P	41.4	Very low	38.7	Very low	117 Å²	117	153.8 Å²	153.8	76%	0.76	81%	0.812	S	S	*	*			trans	-65.5	140.2	166.8	27.7	-32.6	0	0	0	110.3
304	R	41.6	Very low	38.8	Very low	231 Å²	231	155.7 Å²	155.7	87%	0.872	81%	0.814	S	S	*	*			trans	-91.1	110.8	180	-68.7	176.3	175	171.4	-2.5	109.9	L306	R304-L306 PolarHBondContact O-N 2.81Å
305	N	37	Very low	39	Very low	162 Å²	162	152.2 Å²	152.2	87%	0.866	81%	0.808	S	S	*	*			trans	-71.7	120.4	166.8	-72.1	-1.8	0	0	0	109.3
306	L	45.9	Very low	39	Very low	131 Å²	131	151 Å²	151	69%	0.686	81%	0.806	S	S	*	*			trans	-101.9	142.7	174.9	-74.7	172.8	0	0	0	110.7	R304	R304-L306 PolarHBondContact O-N 2.81Å
307	F	37.9	Very low	38.8	Very low	190 Å²	190	150.6 Å²	150.6	83%	0.833	80%	0.803	S	S	*	*			trans	57.3	99.9	168.7	-50.9	-62.5	0	0	0	118.4
308	R	36.1	Very low	38.7	Very low	255 Å²	255	156.4 Å²	156.4	96%	0.962	81%	0.809	S	S	*	*			trans	-123.2	140.3	138.4	-93.4	-170.3	172.7	-120.2	-0.6	109.3
309	S	35.4	Very low	39	Very low	109 Å²	109	154.8 Å²	154.8	76%	0.762	81%	0.808	S	S	*	*			trans	-74.5	150.5	-172.9	-48.6	0	0	0	0	113.1	S311	S309-S311 PolarHBondContact O-N 3.09Å
310	P	38.1	Very low	39	Very low	134 Å²	134	153.8 Å²	153.8	87%	0.87	81%	0.813	S	S	*	*			trans	-81.7	112.5	175.9	31.9	-32.5	0	0	0	111.6
311	S	33.9	Very low	39.4	Very low	107 Å²	107	149 Å²	149	75%	0.748	81%	0.809	S	S	*	*			trans	-145.8	90.4	170.1	62.3	0	0	0	0	111.7	S309	S309-S311 PolarHBondContact O-N 3.09Å
312	M	39.6	Very low	39.8	Very low	174 Å²	174	153.1 Å²	153.1	86%	0.857	81%	0.814	S	S	*	*			trans	-179.7	138.3	143.4	-94.5	-52.1	-78.5	0	0	108.6
313	P	41.3	Very low	39.6	Very low	114 Å²	114	153 Å²	153	74%	0.74	81%	0.814	S	S	*	*			trans	-81.5	141.8	175.2	32.3	-34.3	0	0	0	112.3
314	S	38.4	Very low	39.8	Very low	109 Å²	109	153.3 Å²	153.3	76%	0.762	82%	0.816	S	S	*	*			trans	-95.6	147.6	166.2	57.5	0	0	0	0	111.3
315	P	42.5	Very low	39.6	Very low	118 Å²	118	150 Å²	150	77%	0.766	82%	0.816	S	S	*	*			trans	-76.9	-175.1	177.3	33.4	-36.6	0	0	0	113.1
316	V	36.8	Very low	39.5	Very low	130 Å²	130	148.1 Å²	148.1	79%	0.788	81%	0.814	S	S	*	*			trans	88.5	72	175.1	-163.9	0	0	0	0	116.4
317	S	36.6	Very low	39.5	Very low	108 Å²	108	147.5 Å²	147.5	76%	0.755	82%	0.818	S	S	*	*				34.4	115	119	-47.4	0	0	0	0	120.9
318	R	42.1	Very low	39.9	Very low	244 Å²	244	143.3 Å²	143.3	92%	0.921	82%	0.818	S	S	*	*			trans	-157.8	159.1	135.9	-105.6	156.8	-157.5	-129.2	2.5	110.4
319	P	42.1	Very low	40	Very low	119 Å²	119	138.7 Å²	138.7	77%	0.773	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-88.1	148.7	-153.5	33.3	-36.6	0	0	0	115.4
320	A	36.4	Very low	40.4	Very low	102 Å²	102	141.7 Å²	141.7	84%	0.843	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-89	141.6	169.5	0	0	0	0	0	111.7
321	V	44.1	Very low	40.4	Very low	132 Å²	132	141.9 Å²	141.9	80%	0.8	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-83.6	132.6	-175.3	174.4	0	0	0	0	111.2
322	K	44.8	Very low	40.9	Very low	200 Å²	200	142.7 Å²	142.7	87%	0.87	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-63.1	144.2	172.1	-68.2	-174	176.2	-173.3	0	111.4
323	R	39.6	Very low	41.2	Very low	227 Å²	227	139 Å²	139	86%	0.857	80%	0.798	S	S	*	*			trans	-121.7	156.6	157.6	-80.9	-167.9	171.2	95.9	-2.1	109.9
324	P	44.9	Very low	41.6	Very low	124 Å²	124	140.1 Å²	140.1	81%	0.805	80%	0.802	S	S	*	*			trans	-91.2	162.9	-155.7	-7.1	27.2	0	0	0	114.4
325	D	39.1	Very low	41.9	Very low	161 Å²	161	145.1 Å²	145.1	86%	0.861	80%	0.804	S	S	*	*			trans	-69.1	159.1	169.3	-54.2	-79	0	0	0	112.7
326	C	34.5	Very low	42.2	Very low	122 Å²	122	145.9 Å²	145.9	82%	0.824	81%	0.806	S	S	*	*			trans	-138.9	160.6	173.8	-116.9	0	0	0	0	109
327	P	45.9	Very low	42.6	Very low	119 Å²	119	148.8 Å²	148.8	77%	0.773	81%	0.808	S	S	*	*				-94.7	168	-119.5	-11.1	29.9	0	0	0	115
328	A	44.9	Very low	43.1	Very low	102 Å²	102	154 Å²	154	84%	0.843	81%	0.812	S	S	*	*			trans	-71.6	132.9	164.4	0	0	0	0	0	110.5
329	D	39.2	Very low	43.4	Very low	158 Å²	158	153.2 Å²	153.2	85%	0.845	81%	0.809	S	S	*	*			trans	-116.5	100.5	170	-168.6	16.3	0	0	0	108.3
330	E	43.7	Very low	43.5	Very low	171 Å²	171	157.7 Å²	157.7	80%	0.799	81%	0.81	S	S	*	*			trans	-76.3	123.4	166.2	-70.7	-166.4	118.8	0	0	108.5
331	N	37.8	Very low	43.6	Very low	139 Å²	139	158.2 Å²	158.2	74%	0.743	81%	0.808	S	S	*	*			trans	-178.1	112.9	132	-101.7	-64.2	0	0	0	114.6
332	T	43.9	Very low	43.7	Very low	124 Å²	124	158.6 Å²	158.6	76%	0.761	81%	0.81	S	S	*	*			trans	68.2	162.8	151	75.5	0	0	0	0	119.4
333	P	47.6	Very low	43.3	Very low	97 Å²	97	154.1 Å²	154.1	63%	0.63	81%	0.81	S	S	*	*			cis	-130.7	150.3	-49.3	34.7	-21	0	0	0	113.4	R335	P333-R335 PolarHBondContact O-N 2.88Å
334	V	48.9	Very low	43	Very low	136 Å²	136	146.9 Å²	146.9	82%	0.824	81%	0.806	S	S	*	*			trans	-60.9	121.9	172	176.5	0	0	0	0	111	V336	V334-V336 HydrophobicContact CG1-CG2 4.32Å
335	R	44.6	Very low	42.5	Very low	214 Å²	214	147.7 Å²	147.7	81%	0.808	81%	0.809	S	S	*	*			trans	-130.9	83.8	171.8	-60.2	-167.1	86.1	167.9	9	112.3	P333 K337	P333-R335 PolarHBondContact O-N 2.88Å; R335-K337 PolarHBondContact O-N 3Å
336	V	49.6	Very low	42.8	Very low	134 Å²	134	145.5 Å²	145.5	81%	0.812	80%	0.803	S	S	*	*			trans	-55.3	122.1	165	179.4	0	0	0	0	109.2	V334	V334-V336 HydrophobicContact CG1-CG2 4.32Å
337	K	44.3	Very low	42.6	Very low	191 Å²	191	144.4 Å²	144.4	83%	0.83	80%	0.796	S	S	*	*			trans	-124.4	81.5	-178.1	-140	173	-170.9	178.3	0	113.3	R335	R335-K337 PolarHBondContact O-N 3Å
338	R	46.2	Very low	42	Very low	218 Å²	218	145.7 Å²	145.7	82%	0.823	80%	0.802	S	S	*	*			trans	-70.1	126.3	173.2	-172.2	-174.6	-167	-178.3	6.7	111.5
339	R	48.7	Very low	41.5	Very low	228 Å²	228	149.2 Å²	149.2	86%	0.86	80%	0.798	S	S	*	*			trans	-139.4	130.8	157.4	-75.8	-174.7	166.1	-165.3	-6.3	105.2
340	R	44.2	Very low	41.4	Very low	213 Å²	213	148.9 Å²	148.9	80%	0.804	80%	0.796	S	S	*	*			cis	59.7	100.2	19.1	-170.1	171.9	-81.6	-138.4	0.5	114.2
341	S	40	Very low	41	Very low	113 Å²	113	147.8 Å²	147.8	79%	0.79	80%	0.795	S	S	*	*			trans	-138.4	114.8	166.2	47.9	0	0	0	0	107.6
342	V	45.1	Very low	40.8	Very low	139 Å²	139	150.7 Å²	150.7	84%	0.842	81%	0.805	S	S	*	*			trans	-145.9	100.7	176	-176.6	0	0	0	0	108.5
343	A	35.6	Very low	40.3	Very low	106 Å²	106	149.5 Å²	149.5	88%	0.876	80%	0.801	S	S	*	*			trans	-176.8	135.3	161.5	0	0	0	0	0	108.7
344	G	34.7	Very low	40	Very low	75 Å²	75	151.4 Å²	151.4	77%	0.773	81%	0.814	S	S	*	*			cis	141.1	41.4	-17.8	0	0	0	0	0	118.1
345	T	34.3	Very low	39.6	Very low	142 Å²	142	152.4 Å²	152.4	87%	0.871	81%	0.809	S	S	*	*			trans	-152.6	160.9	171.2	17.2	0	0	0	0	110.4
346	P	45.5	Very low	39.9	Very low	114 Å²	114	146.6 Å²	146.6	74%	0.74	80%	0.802	S	S	*	*				-130.6	161	-121.4	42.3	-28.9	0	0	0	118.4
347	C	30.4	Very low	39.8	Very low	99 Å²	99	145.7 Å²	145.7	67%	0.669	80%	0.798	S	S	*	*			trans	52.7	114.1	141	-161.6	0	0	0	0	120.5
348	T	32.7	Very low	40.3	Very low	147 Å²	147	146.7 Å²	146.7	90%	0.902	80%	0.797	S	S	*	*			trans	-133.7	145.1	132.7	-53.1	0	0	0	0	107.6
349	K	35.1	Very low	40.6	Very low	175 Å²	175	145.1 Å²	145.1	76%	0.761	80%	0.796	S	S	*	*			trans	-107.9	134.4	-178.1	-56.7	174.9	-176.7	175.5	0	110.2
350	L	35.7	Very low	40.9	Very low	152 Å²	152	142.7 Å²	142.7	80%	0.796	80%	0.799	S	S	*	*				-160.2	154.4	128.4	-138.6	68.2	0	0	0	111.6
351	D	35.5	Very low	41.7	Very low	147 Å²	147	140.4 Å²	140.4	79%	0.786	80%	0.798	S	S	*	*			trans	58.1	147.2	165.2	-57.4	-30.5	0	0	0	121.2
352	Q	34.3	Very low	42.7	Very low	201 Å²	201	146 Å²	146	94%	0.939	80%	0.801	S	S	*	*			trans	-131.8	135.1	-173.2	-58.4	175.2	24.6	0	0	109.3
353	S	33.8	Very low	43.3	Very low	98 Å²	98	144.7 Å²	144.7	69%	0.685	80%	0.798	S	S	*	*			trans	-137.3	143.2	155.6	67.4	0	0	0	0	109.2	E355	S353-E355 PolarHBondContact O-N 3.36Å; S353-E355 VanDerWaalsContact O-N 3.07Å
354	P	41.9	Very low	44.7	Very low	138 Å²	138	147 Å²	147	90%	0.896	79%	0.788	S	S	*	*			trans	-88.4	67.5	-168.3	35.4	-36.7	0	0	0	112.7	S356	P354-S356 PolarHBondContact O-N 3.1Å
355	E	40.1	Very low	46.3	Very low	157 Å²	157	149 Å²	149	73%	0.734	79%	0.791	S	S	*	*			trans	-72.5	125.4	166.9	-77.8	-131	134.3	0	0	111.3	S353	S353-E355 PolarHBondContact O-N 3.36Å; S353-E355 VanDerWaalsContact O-N 3.07Å
356	S	51.3	Low	47.6	Very low	92 Å²	92	147.4 Å²	147.4	64%	0.643	77%	0.772	S	S	*	*			trans	-63.2	139.3	177.2	65	0	0	0	0	111.8	P354 R358	P354-S356 PolarHBondContact O-N 3.1Å; S356-R358 PolarHBondContact O-N 2.87Å
357	P	47.6	Very low	49.1	Very low	115 Å²	115	145.1 Å²	145.1	75%	0.747	76%	0.758	S	S	*	*			trans	-68.7	101.9	-178.6	27.5	-34.3	0	0	0	111	K359	P357-K359 VanDerWaalsContact C-N 3.28Å; P357-K359 PolarHBondContact O-N 3.33Å
358	R	53.7	Low	51.1	Low	212 Å²	212	146.9 Å²	146.9	80%	0.8	76%	0.756	S	S	*	*			trans	-63.8	85.5	172.8	-64.7	-170.5	-171.4	-154.9	4.2	110.3	S356 L360	S356-R358 PolarHBondContact O-N 2.87Å; R358-L360 PolarHBondContact O-N 2.96Å
359	K	52.3	Low	53.1	Low	185 Å²	185	143.4 Å²	143.4	80%	0.804	74%	0.735	S	S	*	*			trans	-59.2	107.4	170.4	-68.7	178.9	-178.4	175	0	108.4	P357 Q361	P357-K359 VanDerWaalsContact C-N 3.28Å; P357-K359 PolarHBondContact O-N 3.33Å; K359-Q361 PolarHBondContact O-N 3.45Å
360	L	55.8	Low	55.1	Low	176 Å²	176	139.6 Å²	139.6	92%	0.921	72%	0.719	S	S	*	*			trans	-55.1	102.8	172.3	-73.2	171.3	0	0	0	109.2	R358 R362	R358-L360 PolarHBondContact O-N 2.96Å; L360-R362 PolarHBondContact O-N 3.29Å
361	Q	60.3	Low	56.9	Low	165 Å²	165	136.3 Å²	136.3	77%	0.771	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-70.2	131.4	173.6	-73.1	-165.1	0.2	0	0	108.9	K359 S363	K359-Q361 PolarHBondContact O-N 3.45Å; Q361-S363 PolarHBondContact O-N 2.88Å
362	R	60.3	Low	58.5	Low	231 Å²	231	133 Å²	133	87%	0.872	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-54.9	129.8	167.3	175.9	175.6	173.9	168.5	-2.6	108.5	L360 K364	L360-R362 PolarHBondContact O-N 3.29Å; R362-K364 PolarHBondContact O-N 3.01Å; R362-K364 VanDerWaalsContact O-N 3.17Å
363	S	58.3	Low	60.3	Low	111 Å²	111	129.2 Å²	129.2	78%	0.776	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-53.4	121.2	177.7	40.7	0	0	0	0	110.4	Q361 S365	Q361-S363 PolarHBondContact O-N 2.88Å; S363-S365 PolarHBondContact O-N 2.7Å
364	K	65.3	Low	61.8	Low	154 Å²	154	129.3 Å²	129.3	67%	0.67	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-78.8	116.6	170.9	-65.8	-176.8	-178.9	-178.6	0	107.9	R362 F366	R362-K364 PolarHBondContact O-N 3.01Å; R362-K364 VanDerWaalsContact O-N 3.17Å; K364-F366 PolarHBondContact O-N 3.27Å; K364-F366 VanDerWaalsContact O-N 3.15Å
365	S	67.4	Low	62.9	Low	117 Å²	117	127.4 Å²	127.4	82%	0.818	64%	0.636	S	S	*	*			trans	-72.8	97.6	162.8	52.3	0	0	0	0	108	S363 C367	S363-S365 PolarHBondContact O-N 2.7Å; S365-C367 PolarHBondContact O-N 2.87Å
366	F	62	Low	63.8	Low	110 Å²	110	125 Å²	125	48%	0.482	63%	0.628	S	S	.	*			trans	-56.8	134.1	170.2	-70.1	-85	0	0	0	109.3	K364 E370 I371 L374	K364-F366 PolarHBondContact O-N 3.27Å; K364-F366 VanDerWaalsContact O-N 3.15Å; F366-E370 HydrophobicContact CD1-CB 4.37Å; F366-E370 HydrophobicContact CD1-CG 3.91Å; F366-E370 WeakPolarHBondContact CD1-OE2 3.46Å; F366-I371 HydrophobicContact CB-CD1 4.25Å; F366-I371 HydrophobicContact CB-CG1 3.88Å; F366-L374 HydrophobicContact CE1-CD1 4.43Å
367	C	77.6	Confident	63.9	Low	65 Å²	65	128.3 Å²	128.3	44%	0.439	63%	0.631	S	S	.	*			trans	-82.1	159.1	171.6	62.7	0	0	0	0	110.3	S365 T369 E370 I371	S365-C367 PolarHBondContact O-N 2.87Å; C367-T369 PolarHBondContact O-N 2.95Å; C367-T369 VanDerWaalsContact O-N 3.15Å; C367-E370 WeakPolarHBondContact O-CA 3.4Å; C367-E370 WeakPolarHBondContact O-CB 3.41Å; C367-E370 PolarHBondContact O-N 2.66Å; C367-I371 PolarHBondContact O-N 2.86Å; C367-I371 VanDerWaalsContact O-N 3.16Å
368	H	72.6	Confident	64.1	Low	136 Å²	136	124.8 Å²	124.8	63%	0.63	61%	0.61	S	S	*	*	H	α-helix	trans	-49.6	-44.8	-176.8	-161.8	-86.7	0	0	0	112.4	E370 I371 E372	H368-E370 PolarHBondContact O-N 3.12Å; H368-I371 WeakPolarHBondContact O-CB 3.29Å; H368-I371 PolarHBondContact O-N 2.86Å; H368-I371 VanDerWaalsContact O-N 3.07Å; H368-E372 IonicContact CE1-OE1 3.07Å; H368-E372 PolarHBondContact CE1-OE1 2.78Å; H368-E372 IonicContact CE1-OE2 3.99Å; H368-E372 IonicContact ND1-OE1 2.95Å; H368-E372 PolarHBondContact ND1-OE1 3.33Å; H368-E372 IonicContact ND1-OE2 3.1Å; H368-E372 PolarHBondContact ND1-OE2 3.01Å; H368-E372 VanDerWaalsContact ND1-OE2 3.1Å; H368-E372 WeakPolarHBondContact O-CG 3.38Å; H368-E372 PolarHBondContact O-N 3.43Å
369	T	75.1	Confident	64.1	Low	74 Å²	74	119.4 Å²	119.4	45%	0.454	60%	0.596	S	S	.	*	H	α-helix	trans	-75.4	-4.6	-179.7	61	0	0	0	0	115.3	C367 E372 K373	C367-T369 PolarHBondContact O-N 2.95Å; C367-T369 VanDerWaalsContact O-N 3.15Å; T369-E372 WeakPolarHBondContact CA-OE2 3.4Å; T369-E372 WeakPolarHBondContact CG2-OE2 3.49Å; T369-E372 PolarHBondContact N-OE2 3Å; T369-K373 WeakPolarHBondContact O-CD 3.38Å; T369-K373 WeakPolarHBondContact O-CE 3.05Å; T369-K373 VanDerWaalsContact O-CG 3.24Å; T369-K373 WeakPolarHBondContact O-CG 3.48Å
370	E	75.8	Confident	64	Low	95 Å²	95	114.6 Å²	114.6	44%	0.444	60%	0.6	S	S	.	*	H	α-helix	trans	-97.3	-25.3	169.2	-158.1	171.7	-148.4	0	0	110.8	F366 C367 H368 L374	F366-E370 HydrophobicContact CD1-CB 4.37Å; F366-E370 HydrophobicContact CD1-CG 3.91Å; F366-E370 WeakPolarHBondContact CD1-OE2 3.46Å; C367-E370 WeakPolarHBondContact O-CA 3.4Å; C367-E370 WeakPolarHBondContact O-CB 3.41Å; C367-E370 PolarHBondContact O-N 2.66Å; H368-E370 PolarHBondContact O-N 3.12Å; E370-L374 WeakPolarHBondContact O-CD1 3.46Å; E370-L374 VanDerWaalsContact O-CG 3.3Å; E370-L374 WeakPolarHBondContact O-CG 3.48Å
371	I	73.5	Confident	63.7	Low	84 Å²	84	109.8 Å²	109.8	43%	0.431	58%	0.581	S	S	.	*	H	α-helix	trans	-76.2	-48.2	171.1	-59	171.2	0	0	0	110.2	F366 C367 H368 K373 L374 L375	F366-I371 HydrophobicContact CB-CD1 4.25Å; F366-I371 HydrophobicContact CB-CG1 3.88Å; C367-I371 PolarHBondContact O-N 2.86Å; C367-I371 VanDerWaalsContact O-N 3.16Å; H368-I371 WeakPolarHBondContact O-CB 3.29Å; H368-I371 PolarHBondContact O-N 2.86Å; H368-I371 VanDerWaalsContact O-N 3.07Å; I371-K373 VanDerWaalsContact C-N 3.33Å; I371-K373 PolarHBondContact O-N 2.78Å; I371-L374 WeakPolarHBondContact O-CB 3.43Å; I371-L374 PolarHBondContact O-N 2.89Å; I371-L375 HydrophobicContact CG2-CD1 4.25Å; I371-L375 PolarHBondContact O-N 2.96Å
372	E	70.3	Confident	63.5	Low	77 Å²	77	107.1 Å²	107.1	36%	0.36	57%	0.572	S	S	.	*	H	α-helix	trans	-50.8	-52.3	173.4	-71.6	163.5	142.6	0	0	110.4	H368 T369 L374 L375 D376	H368-E372 IonicContact CE1-OE1 3.07Å; H368-E372 PolarHBondContact CE1-OE1 2.78Å; H368-E372 IonicContact CE1-OE2 3.99Å; H368-E372 IonicContact ND1-OE1 2.95Å; H368-E372 PolarHBondContact ND1-OE1 3.33Å; H368-E372 IonicContact ND1-OE2 3.1Å; H368-E372 PolarHBondContact ND1-OE2 3.01Å; H368-E372 VanDerWaalsContact ND1-OE2 3.1Å; H368-E372 WeakPolarHBondContact O-CG 3.38Å; H368-E372 PolarHBondContact O-N 3.43Å; T369-E372 WeakPolarHBondContact CA-OE2 3.4Å; T369-E372 WeakPolarHBondContact CG2-OE2 3.49Å; T369-E372 PolarHBondContact N-OE2 3Å; E372-L374 PolarHBondContact O-N 2.86Å; E372-L375 WeakPolarHBondContact O-CA 3.41Å; E372-L375 WeakPolarHBondContact O-CB 3.3Å; E372-L375 PolarHBondContact O-N 2.7Å; E372-D376 PolarHBondContact O-N 2.97Å
373	K	70.7	Confident	64.3	Low	121 Å²	121	100 Å²	100	53%	0.526	55%	0.548	S	S	.	.	H	α-helix	trans	-69.4	-0.4	178.6	-67.4	175.4	-166.3	159.5	0	116	T369 I371 K377	T369-K373 WeakPolarHBondContact O-CD 3.38Å; T369-K373 WeakPolarHBondContact O-CE 3.05Å; T369-K373 VanDerWaalsContact O-CG 3.24Å; T369-K373 WeakPolarHBondContact O-CG 3.48Å; I371-K373 VanDerWaalsContact C-N 3.33Å; I371-K373 PolarHBondContact O-N 2.78Å; K373-K377 WeakPolarHBondContact O-CD 3.39Å; K373-K377 VanDerWaalsContact O-CE 3.3Å; K373-K377 WeakPolarHBondContact O-CE 3.36Å; K373-K377 WeakPolarHBondContact O-CG 3.28Å
374	L	67.1	Low	65.8	Low	101 Å²	101	98.4 Å²	98.4	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-99.9	-33.9	167.6	-74.9	168.8	0	0	0	111	F366 E370 I371 E372 S378	F366-L374 HydrophobicContact CE1-CD1 4.43Å; E370-L374 WeakPolarHBondContact O-CD1 3.46Å; E370-L374 VanDerWaalsContact O-CG 3.3Å; E370-L374 WeakPolarHBondContact O-CG 3.48Å; I371-L374 WeakPolarHBondContact O-CB 3.43Å; I371-L374 PolarHBondContact O-N 2.89Å; E372-L374 PolarHBondContact O-N 2.86Å; L374-S378 PolarHBondContact O-N 2.73Å
375	L	64.3	Low	67.1	Low	98 Å²	98	91.2 Å²	91.2	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-67.5	-53	171.7	-62.8	170.1	0	0	0	110.6	I371 E372 K377 S378 D379	I371-L375 HydrophobicContact CG2-CD1 4.25Å; I371-L375 PolarHBondContact O-N 2.96Å; E372-L375 WeakPolarHBondContact O-CA 3.41Å; E372-L375 WeakPolarHBondContact O-CB 3.3Å; E372-L375 PolarHBondContact O-N 2.7Å; L375-K377 PolarHBondContact O-N 2.78Å; L375-S378 WeakPolarHBondContact O-CA 3.41Å; L375-S378 WeakPolarHBondContact O-CB 3.15Å; L375-S378 PolarHBondContact O-N 3.22Å; L375-S378 PolarHBondContact O-OG 2.85Å; L375-D379 PolarHBondContact O-N 3.48Å
376	D	58.3	Low	68.2	Low	106 Å²	106	86.2 Å²	86.2	57%	0.567	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-21	177.8	-55.2	-21.7	0	0	0	113.7	E372	E372-D376 PolarHBondContact O-N 2.97Å
377	K	54.1	Low	69.6	Low	161 Å²	161	82.3 Å²	82.3	70%	0.7	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-12.8	178.4	-70	-177.5	-171.8	169.1	0	113.9	K373 L375	K373-K377 WeakPolarHBondContact O-CD 3.39Å; K373-K377 VanDerWaalsContact O-CE 3.3Å; K373-K377 WeakPolarHBondContact O-CE 3.36Å; K373-K377 WeakPolarHBondContact O-CG 3.28Å; L375-K377 PolarHBondContact O-N 2.78Å
378	S	51.4	Low	70.2	Confident	42 Å²	42	84.5 Å²	84.5	29%	0.294	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-30.1	-178.9	72	0	0	0	0	112.6	L374 L375 G380 S381 N382	L374-S378 PolarHBondContact O-N 2.73Å; L375-S378 WeakPolarHBondContact O-CA 3.41Å; L375-S378 WeakPolarHBondContact O-CB 3.15Å; L375-S378 PolarHBondContact O-N 3.22Å; L375-S378 PolarHBondContact O-OG 2.85Å; S378-G380 VanDerWaalsContact C-N 3.26Å; S378-G380 PolarHBondContact O-N 2.91Å; S378-G380 VanDerWaalsContact O-N 3.12Å; S378-S381 PolarHBondContact O-N 3.28Å; S378-S381 PolarHBondContact O-OG 3.47Å; S378-N382 PolarHBondContact O-N 2.7Å
379	D	53.1	Low	71	Confident	98 Å²	98	82.4 Å²	82.4	52%	0.524	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-37.1	-173.1	-60.5	-24.6	0	0	0	113.9	L375 S381	L375-D379 PolarHBondContact O-N 3.48Å; D379-S381 VanDerWaalsContact C-N 3.3Å; D379-S381 PolarHBondContact O-N 3.04Å
380	G	51.2	Low	71.7	Confident	85 Å²	85	81.9 Å²	81.9	88%	0.876	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	8.5	178.3	0	0	0	0	0	116	S378	S378-G380 VanDerWaalsContact C-N 3.26Å; S378-G380 PolarHBondContact O-N 2.91Å; S378-G380 VanDerWaalsContact O-N 3.12Å
381	S	50.3	Low	72.5	Confident	75 Å²	75	80.4 Å²	80.4	52%	0.524	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.8	-22.5	-167.1	65.6	0	0	0	0	117.4	S378 D379	S378-S381 PolarHBondContact O-N 3.28Å; S378-S381 PolarHBondContact O-OG 3.47Å; D379-S381 VanDerWaalsContact C-N 3.3Å; D379-S381 PolarHBondContact O-N 3.04Å
382	N	55.2	Low	73.4	Confident	108 Å²	108	78.6 Å²	78.6	58%	0.578	43%	0.429	S	S	*	.			trans	-137.8	35.4	-171.6	-74.5	-85.6	0	0	0	113.2	S378 L384	S378-N382 PolarHBondContact O-N 2.7Å; N382-L384 PolarHBondContact O-N 2.65Å
383	E	77.8	Confident	74.4	Confident	81 Å²	81	75.7 Å²	75.7	38%	0.379	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-64	119.8	166.9	-63.2	-158.7	104.8	0	0	110	F392 K405	E383-F392 HydrophobicContact CB-CD2 4.04Å; E383-F392 HydrophobicContact CB-CE2 4.13Å; E383-F392 WeakPolarHBondContact O-CD2 3.44Å; E383-K405 WeakPolarHBondContact OE1-CE 3.24Å; E383-K405 IonicContact OE1-NZ 2.63Å; E383-K405 PolarHBondContact OE1-NZ 2.89Å; E383-K405 WeakPolarHBondContact OE2-CE 3.32Å; E383-K405 IonicContact OE2-NZ 2.66Å; E383-K405 PolarHBondContact OE2-NZ 2.98Å
384	L	89.7	Confident	75.5	Confident	78 Å²	78	70.1 Å²	70.1	41%	0.408	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-87.9	150.7	179.4	-59.8	174.2	0	0	0	110.8	N382 F388 K390 F392	N382-L384 PolarHBondContact O-N 2.65Å; L384-F388 HydrophobicContact CB-CD1 4.46Å; L384-F388 HydrophobicContact CD1-CB 4.16Å; L384-K390 WeakPolarHBondContact CA-O 3.47Å; L384-F392 VanDerWaalsContact O-CE2 3.31Å; L384-F392 WeakPolarHBondContact O-CE2 3.45Å
385	I	92.4	Very high	76.6	Confident	4 Å²	4	69 Å²	69	2%	0.021	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-65.8	169.4	172.2	71	-179.6	0	0	0	110.8	D387 F388 K390 F392 P509 E510	I385-D387 VanDerWaalsContact CG1-OD1 3.24Å; I385-D387 WeakPolarHBondContact CG1-OD1 3.17Å; I385-D387 PolarHBondContact O-N 3.22Å; I385-F388 PolarHBondContact O-N 2.95Å; I385-K390 HydrophobicContact CD1-CB 4.12Å; I385-K390 WeakPolarHBondContact CG1-O 3.41Å; I385-K390 PolarHBondContact N-O 2.7Å; I385-F392 HydrophobicContact CG2-CD1 3.81Å; I385-F392 HydrophobicContact CG2-CD2 4.43Å; I385-F392 HydrophobicContact CG2-CE1 4.07Å; I385-F392 HydrophobicContact CG2-CG 4.01Å; I385-F392 HydrophobicContact CG2-CZ 4.46Å; I385-P509 HydrophobicContact CB-CB 4.29Å; I385-P509 HydrophobicContact CD1-CB 3.8Å; I385-P509 HydrophobicContact CD1-CG 3.81Å; I385-P509 HydrophobicContact CG1-CB 3.91Å; I385-P509 HydrophobicContact CG1-CG 4.47Å; I385-E510 HydrophobicContact CB-CB 4.44Å; I385-E510 HydrophobicContact CG2-CB 4.13Å; I385-E510 HydrophobicContact CG2-CG 3.97Å
386	G	89.6	Confident	78	Confident	11 Å²	11	67.1 Å²	67.1	11%	0.113	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.8	-166.3	0	0	0	0	0	117.4	R498 P509	G386-R498 PolarHBondContact O-NH2 3.16Å; G386-P509 PolarHBondContact N-O 3.09Å
387	D	91.6	Very high	79.7	Confident	28 Å²	28	64.4 Å²	64.4	15%	0.15	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-0.1	174.4	64.3	14.6	0	0	0	113.8	I385 T389 P504 P509	I385-D387 VanDerWaalsContact CG1-OD1 3.24Å; I385-D387 WeakPolarHBondContact CG1-OD1 3.17Å; I385-D387 PolarHBondContact O-N 3.22Å; D387-T389 HydrophobicContact CB-CG2 4.22Å; D387-T389 VanDerWaalsContact CG-CG2 3.47Å; D387-T389 VanDerWaalsContact CG-OG1 3.26Å; D387-T389 PolarHBondContact O-N 3.49Å; D387-T389 VanDerWaalsContact OD1-CB 3.28Å; D387-T389 WeakPolarHBondContact OD1-CB 3.16Å; D387-T389 WeakPolarHBondContact OD1-CG2 3.44Å; D387-T389 PolarHBondContact OD1-N 3.26Å; D387-T389 PolarHBondContact OD1-OG1 3.11Å; D387-T389 PolarHBondContact OD2-OG1 2.93Å; D387-P504 WeakPolarHBondContact CA-O 3.49Å; D387-P509 HydrophobicContact CB-CB 4.02Å; D387-P509 WeakPolarHBondContact OD2-CB 3.29Å; D387-P509 WeakPolarHBondContact OD2-CG 3.42Å
388	F	90.4	Very high	81.4	Confident	111 Å²	111	63.6 Å²	63.6	49%	0.487	37%	0.374	S	S	.	.	S	Bend	trans	62.7	16	-175.5	-44.2	-77.9	0	0	0	115.5	L384 I385 Y503 P504	L384-F388 HydrophobicContact CB-CD1 4.46Å; L384-F388 HydrophobicContact CD1-CB 4.16Å; I385-F388 PolarHBondContact O-N 2.95Å; F388-Y503 HydrophobicContact CE2-CE2 4.24Å; F388-Y503 AromaticContact CE2-CZ 3.96Å; F388-Y503 WeakPolarHBondContact CE2-OH 3.36Å; F388-P504 HydrophobicContact CD2-CB 3.98Å; F388-P504 HydrophobicContact CE2-CB 4.2Å
389	T	89.8	Confident	83.2	Confident	92 Å²	92	62.9 Å²	62.9	56%	0.564	37%	0.374	S	S	*	.	S	Bend	trans	-83	-34.6	-176.3	63.3	0	0	0	0	114.4	D387	D387-T389 HydrophobicContact CB-CG2 4.22Å; D387-T389 VanDerWaalsContact CG-CG2 3.47Å; D387-T389 VanDerWaalsContact CG-OG1 3.26Å; D387-T389 PolarHBondContact O-N 3.49Å; D387-T389 VanDerWaalsContact OD1-CB 3.28Å; D387-T389 WeakPolarHBondContact OD1-CB 3.16Å; D387-T389 WeakPolarHBondContact OD1-CG2 3.44Å; D387-T389 PolarHBondContact OD1-N 3.26Å; D387-T389 PolarHBondContact OD1-OG1 3.11Å; D387-T389 PolarHBondContact OD2-OG1 2.93Å
390	K	90.3	Very high	84.9	Confident	63 Å²	63	65 Å²	65	27%	0.274	38%	0.379	S	S	.	.	S	Bend	trans	-145.7	155.8	-171.1	-58.4	176	-173	175.6	0	110.4	L384 I385 E470	L384-K390 WeakPolarHBondContact CA-O 3.47Å; I385-K390 HydrophobicContact CD1-CB 4.12Å; I385-K390 WeakPolarHBondContact CG1-O 3.41Å; I385-K390 PolarHBondContact N-O 2.7Å; K390-E470 PolarHBondContact NZ-O 3.47Å
391	P	91.9	Very high	86.8	Confident	65 Å²	65	62.8 Å²	62.8	42%	0.422	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-73.4	157.1	167.2	32	-35.6	0	0	0	111.4	R472	P391-R472 VanDerWaalsContact O-CZ 3.29Å; P391-R472 PolarHBondContact O-NH1 3.42Å; P391-R472 PolarHBondContact O-NH2 3.2Å
392	F	91.8	Very high	88.6	Confident	45 Å²	45	67.7 Å²	67.7	20%	0.197	36%	0.36	C	S	.	.			trans	-53.4	140.8	173.2	-74.6	-78.8	0	0	0	112.6	E383 L384 I385 K405 E510 Y512	E383-F392 HydrophobicContact CB-CD2 4.04Å; E383-F392 HydrophobicContact CB-CE2 4.13Å; E383-F392 WeakPolarHBondContact O-CD2 3.44Å; L384-F392 VanDerWaalsContact O-CE2 3.31Å; L384-F392 WeakPolarHBondContact O-CE2 3.45Å; I385-F392 HydrophobicContact CG2-CD1 3.81Å; I385-F392 HydrophobicContact CG2-CD2 4.43Å; I385-F392 HydrophobicContact CG2-CE1 4.07Å; I385-F392 HydrophobicContact CG2-CG 4.01Å; I385-F392 HydrophobicContact CG2-CZ 4.46Å; F392-K405 HydrophobicContact CE1-CB 4.48Å; F392-K405 HydrophobicContact CE1-CG 4.08Å; F392-K405 HydrophobicContact CE2-CG 4.07Å; F392-K405 HydrophobicContact CZ-CG 3.72Å; F392-E510 HydrophobicContact CD1-CG 4.07Å; F392-E510 HydrophobicContact CE1-CG 4.45Å; F392-Y512 WeakPolarHBondContact CB-OH 3.37Å; F392-Y512 AromaticContact CD1-CE1 3.79Å; F392-Y512 HydrophobicContact CD1-CE1 3.79Å; F392-Y512 AromaticContact CD1-CZ 3.68Å; F392-Y512 HydrophobicContact CE1-CE1 4.42Å; F392-Y512 HydrophobicContact CG-CE1 4.48Å
393	V	92.7	Very high	90.3	Very high	17 Å²	17	67.3 Å²	67.3	10%	0.103	36%	0.358	C	S	.	.	S	Bend	trans	-85.2	-47.7	-179.4	178.9	0	0	0	0	112.1	F420 L423 V424 E510 Y512	V393-F420 HydrophobicContact CG1-CD1 3.81Å; V393-F420 HydrophobicContact CG1-CE1 4.46Å; V393-F420 HydrophobicContact CG1-CG 4.49Å; V393-L423 HydrophobicContact CG1-CB 4.02Å; V393-L423 HydrophobicContact CG1-CD1 3.91Å; V393-L423 HydrophobicContact CG2-CB 4.42Å; V393-V424 HydrophobicContact CG1-CG2 4.08Å; V393-E510 WeakPolarHBondContact CB-OE1 3.19Å; V393-E510 WeakPolarHBondContact CG2-OE1 3.49Å; V393-E510 PolarHBondContact N-OE1 3.47Å; V393-Y512 PolarHBondContact N-OH 3.14Å
394	L	92.1	Very high	91	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.016	35%	0.345	C	S	.	.	S	Bend	trans	-82.8	127.6	178.7	-52.7	-179.4	0	0	0	109.7	T396 I407 M411 A415 F420 V474 Y512	L394-T396 PolarHBondContact O-N 2.93Å; L394-I407 HydrophobicContact CB-CG2 4.11Å; L394-I407 HydrophobicContact CD1-CD1 4.12Å; L394-I407 HydrophobicContact CD1-CG2 4.38Å; L394-M411 HydrophobicContact CB-CG 4.22Å; L394-A415 HydrophobicContact CD1-CB 4.44Å; L394-A415 HydrophobicContact CD2-CB 4.41Å; L394-F420 HydrophobicContact CD2-CD1 4.08Å; L394-F420 HydrophobicContact CD2-CD2 3.62Å; L394-F420 HydrophobicContact CD2-CE1 4.13Å; L394-F420 HydrophobicContact CD2-CE2 3.66Å; L394-F420 HydrophobicContact CD2-CG 3.83Å; L394-F420 HydrophobicContact CD2-CZ 3.92Å; L394-V474 HydrophobicContact CD1-CG1 4.19Å; L394-Y512 WeakPolarHBondContact CA-OH 3.46Å; L394-Y512 HydrophobicContact CB-CE1 4.18Å; L394-Y512 HydrophobicContact CB-CE2 4Å; L394-Y512 WeakPolarHBondContact CB-OH 3.37Å; L394-Y512 HydrophobicContact CD1-CD2 4.03Å; L394-Y512 HydrophobicContact CD1-CE2 3.85Å; L394-Y512 HydrophobicContact CG-CE2 3.94Å; L394-Y512 PolarHBondContact N-OH 2.76Å; L394-Y512 PolarHBondContact O-OH 3.33Å; L394-Y512 VanDerWaalsContact O-OH 3.04Å
395	P	91.6	Very high	91.3	Very high	79 Å²	79	62.8 Å²	62.8	51%	0.513	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-56.5	129.6	172.6	-26	33.8	0	0	0	112.4	M411	P395-M411 HydrophobicContact CB-CE 3.99Å; P395-M411 HydrophobicContact CG-CE 3.84Å; P395-M411 HydrophobicContact CG-SD 4.37Å
396	T	93.1	Very high	91.4	Very high	57 Å²	57	62.9 Å²	62.9	35%	0.35	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-94.8	156.4	-174.6	48.7	0	0	0	0	112.9	L394 K405 Y406 Y512	L394-T396 PolarHBondContact O-N 2.93Å; T396-K405 HydrophobicContact CG2-CB 3.79Å; T396-K405 HydrophobicContact CG2-CD 4.43Å; T396-K405 HydrophobicContact CG2-CG 4.32Å; T396-Y406 CarbonylContact C-O 3.59Å; T396-Y406 VanDerWaalsContact CA-O 3.3Å; T396-Y406 WeakPolarHBondContact CA-O 3.48Å; T396-Y512 HydrophobicContact CG2-CD1 4.26Å; T396-Y512 HydrophobicContact CG2-CE1 3.69Å
397	V	93.3	Very high	91.8	Very high	50 Å²	50	62.4 Å²	62.4	30%	0.303	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-129.8	157.7	171.1	-68.3	0	0	0	0	110.5	Y406 T408 K515	V397-Y406 PolarHBondContact N-O 2.76Å; V397-Y406 WeakPolarHBondContact O-CB 3.23Å; V397-T408 HydrophobicContact CG1-CG2 3.8Å; V397-T408 HydrophobicContact CG2-CG2 3.99Å; V397-K515 HydrophobicContact CG2-CB 4.45Å; V397-K515 HydrophobicContact CG2-CD 3.68Å
398	D	90.7	Very high	92	Very high	143 Å²	143	63 Å²	63	77%	0.765	33%	0.334	S	S	*	.			trans	-69	147.5	175.5	-58.7	-49.3	0	0	0	112.2	K515	D398-K515 WeakPolarHBondContact O-CE 3.5Å; D398-K515 PolarHBondContact O-NZ 2.77Å
399	G	89.8	Confident	92.3	Very high	28 Å²	28	58.5 Å²	58.5	29%	0.289	32%	0.316	S	S	.	.			trans	-142.3	-165.3	175.9	0	0	0	0	0	112.8	H401	G399-H401 VanDerWaalsContact C-N 3.3Å; G399-H401 PolarHBondContact O-N 3.42Å
400	K	88.9	Confident	92.5	Very high	142 Å²	142	60.9 Å²	60.9	62%	0.617	32%	0.321	S	S	*	.	S	Bend	trans	-64	-34.3	-176.7	-175.7	178.8	177.5	-177.6	0	112.7	E484	K400-E484 IonicContact NZ-OE1 2.68Å
401	H	90.4	Very high	92.8	Very high	39 Å²	39	59.8 Å²	59.8	18%	0.181	32%	0.318	C	S	.	.			trans	-111	104.9	-176.3	-65.2	-72.4	0	0	0	109.7	G399 D403 L404 Y406 S483 R491	G399-H401 VanDerWaalsContact C-N 3.3Å; G399-H401 PolarHBondContact O-N 3.42Å; H401-D403 WeakPolarHBondContact CB-OD1 3.46Å; H401-D403 PolarHBondContact O-N 2.93Å; H401-L404 HydrophobicContact CB-CB 4.21Å; H401-L404 HydrophobicContact CB-CD1 3.84Å; H401-L404 HydrophobicContact CB-CG 4.02Å; H401-L404 PolarHBondContact O-N 2.81Å; H401-L404 VanDerWaalsContact O-N 3.1Å; H401-Y406 HydrophobicContact CB-CE2 4.35Å; H401-Y406 PolarHBondContact CD2-OH 2.86Å; H401-S483 PolarHBondContact NE2-O 2.86Å; H401-R491 VanDerWaalsContact CG-NH2 3.31Å; H401-R491 PolarHBondContact ND1-NH1 2.87Å; H401-R491 PolarHBondContact ND1-NH2 2.72Å
402	Q	88.3	Confident	92.9	Very high	178 Å²	178	56.7 Å²	56.7	83%	0.832	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.6	-175	-70.3	-176.5	-20.3	0	0	114	L404	Q402-L404 PolarHBondContact O-N 2.93Å
403	D	89.8	Confident	93.1	Very high	99 Å²	99	55.6 Å²	55.6	53%	0.529	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.7	173	59.6	-55.3	0	0	0	113.5	H401 R491	H401-D403 WeakPolarHBondContact CB-OD1 3.46Å; H401-D403 PolarHBondContact O-N 2.93Å; D403-R491 IonicContact OD1-CZ 3.85Å; D403-R491 IonicContact OD1-NH2 2.76Å; D403-R491 PolarHBondContact OD1-NH2 3.39Å; D403-R491 IonicContact OD2-CZ 3.24Å; D403-R491 VanDerWaalsContact OD2-CZ 3.24Å; D403-R491 IonicContact OD2-NE 2.82Å; D403-R491 PolarHBondContact OD2-NE 3.39Å; D403-R491 IonicContact OD2-NH2 2.84Å; D403-R491 PolarHBondContact OD2-NH2 3.43Å
404	L	93.5	Very high	93.2	Very high	22 Å²	22	55.3 Å²	55.3	12%	0.115	29%	0.294	C	S	.	.	S	Bend	trans	-116.1	141.8	-174.1	-54	178.8	0	0	0	111.2	H401 Q402 Y406 P487 R491 I513	H401-L404 HydrophobicContact CB-CB 4.21Å; H401-L404 HydrophobicContact CB-CD1 3.84Å; H401-L404 HydrophobicContact CB-CG 4.02Å; H401-L404 PolarHBondContact O-N 2.81Å; H401-L404 VanDerWaalsContact O-N 3.1Å; Q402-L404 PolarHBondContact O-N 2.93Å; L404-Y406 HydrophobicContact CB-CE2 4.33Å; L404-Y406 WeakPolarHBondContact O-CD2 3.48Å; L404-P487 HydrophobicContact CD1-CB 3.8Å; L404-R491 HydrophobicContact CD1-CG 4.26Å; L404-R491 HydrophobicContact CD2-CG 4.04Å; L404-I513 HydrophobicContact CB-CD1 3.89Å; L404-I513 HydrophobicContact CD1-CD1 3.56Å; L404-I513 HydrophobicContact CG-CD1 4.29Å
405	K	94.9	Very high	93.3	Very high	43 Å²	43	55.5 Å²	55.5	19%	0.187	30%	0.296	C	S	.	.			trans	-93	117.3	-175.4	-58.3	-50.8	171.5	-176.1	0	111	E383 F392 T396 Y512 I513	E383-K405 WeakPolarHBondContact OE1-CE 3.24Å; E383-K405 IonicContact OE1-NZ 2.63Å; E383-K405 PolarHBondContact OE1-NZ 2.89Å; E383-K405 WeakPolarHBondContact OE2-CE 3.32Å; E383-K405 IonicContact OE2-NZ 2.66Å; E383-K405 PolarHBondContact OE2-NZ 2.98Å; F392-K405 HydrophobicContact CE1-CB 4.48Å; F392-K405 HydrophobicContact CE1-CG 4.08Å; F392-K405 HydrophobicContact CE2-CG 4.07Å; F392-K405 HydrophobicContact CZ-CG 3.72Å; T396-K405 HydrophobicContact CG2-CB 3.79Å; T396-K405 HydrophobicContact CG2-CD 4.43Å; T396-K405 HydrophobicContact CG2-CG 4.32Å; K405-Y512 HydrophobicContact CB-CD1 3.97Å; K405-Y512 HydrophobicContact CB-CE1 4.3Å; K405-Y512 CarbonylContact O-C 3.33Å; K405-Y512 VanDerWaalsContact O-CA 3.28Å; K405-Y512 WeakPolarHBondContact O-CA 3.22Å; K405-I513 PolarHBondContact O-N 3.26Å
406	Y	96.1	Very high	93.3	Very high	6 Å²	6	54.5 Å²	54.5	2%	0.024	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	150.2	179.7	-69.7	-102.7	0	0	0	111.8	T396 V397 H401 L404 I513 K515	T396-Y406 CarbonylContact C-O 3.59Å; T396-Y406 VanDerWaalsContact CA-O 3.3Å; T396-Y406 WeakPolarHBondContact CA-O 3.48Å; V397-Y406 PolarHBondContact N-O 2.76Å; V397-Y406 WeakPolarHBondContact O-CB 3.23Å; H401-Y406 HydrophobicContact CB-CE2 4.35Å; H401-Y406 PolarHBondContact CD2-OH 2.86Å; L404-Y406 HydrophobicContact CB-CE2 4.33Å; L404-Y406 WeakPolarHBondContact O-CD2 3.48Å; Y406-I513 CarbonylContact C-O 3.56Å; Y406-I513 WeakPolarHBondContact CA-O 3.29Å; Y406-I513 HydrophobicContact CD1-CB 3.73Å; Y406-I513 HydrophobicContact CD1-CG2 3.66Å; Y406-I513 HydrophobicContact CE1-CB 3.87Å; Y406-I513 HydrophobicContact CE1-CG2 3.43Å; Y406-I513 VanDerWaalsContact CE1-CG2 3.43Å; Y406-I513 HydrophobicContact CG-CB 4.22Å; Y406-K515 HydrophobicContact CD1-CB 4.19Å
407	I	96.8	Very high	93.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	156.2	171.7	62.2	171.2	0	0	0	110.6	L394 M411 M412 V476 Y512 I513 L514 K515	L394-I407 HydrophobicContact CB-CG2 4.11Å; L394-I407 HydrophobicContact CD1-CD1 4.12Å; L394-I407 HydrophobicContact CD1-CG2 4.38Å; I407-M411 HydrophobicContact CB-CB 4.32Å; I407-M412 HydrophobicContact CD1-CB 4.4Å; I407-M412 HydrophobicContact CD1-SD 4.03Å; I407-V476 HydrophobicContact CD1-CG1 3.81Å; I407-V476 HydrophobicContact CD1-CG2 3.82Å; I407-V476 HydrophobicContact CG1-CG1 4.33Å; I407-Y512 HydrophobicContact CG2-CD1 3.56Å; I407-Y512 HydrophobicContact CG2-CE1 4Å; I407-Y512 HydrophobicContact CG2-CG 3.92Å; I407-I513 PolarHBondContact N-O 2.84Å; I407-L514 HydrophobicContact CG1-CD1 4.48Å; I407-K515 VanDerWaalsContact O-CB 3.27Å; I407-K515 WeakPolarHBondContact O-CB 3.29Å; I407-K515 PolarHBondContact O-N 2.92Å
408	T	96.6	Very high	93.1	Very high	41 Å²	41	53.9 Å²	53.9	25%	0.252	29%	0.287	S	S	.	.			trans	-82.3	159.9	176.5	62.8	0	0	0	0	112.2	V397 E410 M411 M412	V397-T408 HydrophobicContact CG1-CG2 3.8Å; V397-T408 HydrophobicContact CG2-CG2 3.99Å; T408-E410 PolarHBondContact O-N 2.84Å; T408-M411 PolarHBondContact O-N 2.82Å; T408-M411 VanDerWaalsContact O-N 3.12Å; T408-M411 PolarHBondContact OG1-N 2.92Å; T408-M412 PolarHBondContact O-N 2.66Å
409	S	95.8	Very high	93.2	Very high	16 Å²	16	52.7 Å²	52.7	11%	0.112	28%	0.277	C	S	.	.	H	α-helix	trans	-56.1	-33.9	171.4	-51	0	0	0	0	113	M412 V413	S409-M412 WeakPolarHBondContact O-CB 3.45Å; S409-V413 PolarHBondContact O-N 3.44Å; S409-V413 VanDerWaalsContact O-N 3.16Å
410	E	95.5	Very high	93.2	Very high	143 Å²	143	53.1 Å²	53.1	67%	0.668	27%	0.27	S	S	*	.	H	α-helix	trans	-65.3	-47.7	173.7	-62.1	171	162.8	0	0	111.6	T408 M412 V413 A414 F525	T408-E410 PolarHBondContact O-N 2.84Å; E410-M412 VanDerWaalsContact C-N 3.26Å; E410-M412 PolarHBondContact O-N 2.63Å; E410-V413 PolarHBondContact O-N 3.19Å; E410-V413 VanDerWaalsContact O-N 3.16Å; E410-A414 PolarHBondContact O-N 3.43Å; E410-F525 HydrophobicContact CG-CE2 4.46Å; E410-F525 HydrophobicContact CG-CZ 4.12Å
411	M	94.9	Very high	93.3	Very high	40 Å²	40	50.7 Å²	50.7	20%	0.197	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-33.7	178.9	-161.7	60.2	61.7	0	0	111.9	L394 P395 I407 T408 A414 A415 F420	L394-M411 HydrophobicContact CB-CG 4.22Å; P395-M411 HydrophobicContact CB-CE 3.99Å; P395-M411 HydrophobicContact CG-CE 3.84Å; P395-M411 HydrophobicContact CG-SD 4.37Å; I407-M411 HydrophobicContact CB-CB 4.32Å; T408-M411 PolarHBondContact O-N 2.82Å; T408-M411 VanDerWaalsContact O-N 3.12Å; T408-M411 PolarHBondContact OG1-N 2.92Å; M411-A414 PolarHBondContact O-N 3.22Å; M411-A414 HydrophobicContact SD-CB 4.4Å; M411-A415 WeakPolarHBondContact O-CB 3.28Å; M411-A415 PolarHBondContact O-N 3.31Å; M411-F420 HydrophobicContact SD-CE2 3.9Å; M411-F420 HydrophobicContact SD-CZ 3.75Å
412	M	95.5	Very high	93.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.5	-43.7	172.7	-173.8	64.8	-166.5	0	0	112	I407 T408 S409 E410 A415 L416 V429 I443 V476 L514 F521	I407-M412 HydrophobicContact CD1-CB 4.4Å; I407-M412 HydrophobicContact CD1-SD 4.03Å; T408-M412 PolarHBondContact O-N 2.66Å; S409-M412 WeakPolarHBondContact O-CB 3.45Å; E410-M412 VanDerWaalsContact C-N 3.26Å; E410-M412 PolarHBondContact O-N 2.63Å; M412-A415 PolarHBondContact O-N 3.35Å; M412-L416 HydrophobicContact CE-CD1 4.03Å; M412-L416 HydrophobicContact CE-CG 4.24Å; M412-L416 HydrophobicContact CG-CD1 4.46Å; M412-L416 WeakPolarHBondContact O-CG 3.24Å; M412-L416 PolarHBondContact O-N 2.91Å; M412-V429 HydrophobicContact CE-CB 4Å; M412-V429 HydrophobicContact CE-CG1 3.4Å; M412-V429 HydrophobicContact CE-CG2 3.37Å; M412-I443 HydrophobicContact CE-CD1 4.41Å; M412-I443 HydrophobicContact CE-CG2 4.42Å; M412-V476 HydrophobicContact CE-CB 4.5Å; M412-V476 HydrophobicContact SD-CB 4.19Å; M412-V476 HydrophobicContact SD-CG1 3.86Å; M412-V476 HydrophobicContact SD-CG2 4.08Å; M412-L514 HydrophobicContact CB-CD1 3.72Å; M412-L514 HydrophobicContact CG-CD1 3.96Å; M412-L514 HydrophobicContact CG-CD2 4.45Å; M412-F521 HydrophobicContact CB-CD2 4.46Å; M412-F521 HydrophobicContact CB-CE2 4.02Å; M412-F521 HydrophobicContact CG-CD2 4.3Å; M412-F521 HydrophobicContact CG-CE2 3.75Å
413	V	95.2	Very high	93.4	Very high	21 Å²	21	50.2 Å²	50.2	13%	0.127	26%	0.264	C	S	.	.	H	α-helix	trans	-71.6	-33.3	174.4	177.7	0	0	0	0	111.7	S409 E410 A415 L416 T417 F521 F525 Q528	S409-V413 PolarHBondContact O-N 3.44Å; S409-V413 VanDerWaalsContact O-N 3.16Å; E410-V413 PolarHBondContact O-N 3.19Å; E410-V413 VanDerWaalsContact O-N 3.16Å; V413-A415 VanDerWaalsContact C-N 3.32Å; V413-A415 PolarHBondContact O-N 2.87Å; V413-L416 PolarHBondContact O-N 2.75Å; V413-T417 HydrophobicContact CG1-CG2 3.99Å; V413-T417 WeakPolarHBondContact O-CB 3.49Å; V413-T417 WeakPolarHBondContact O-CG2 3.47Å; V413-T417 PolarHBondContact O-N 3.48Å; V413-T417 PolarHBondContact O-OG1 3.1Å; V413-F521 HydrophobicContact CG2-CE2 3.76Å; V413-F521 HydrophobicContact CG2-CZ 3.84Å; V413-F525 HydrophobicContact CB-CD1 4.48Å; V413-F525 HydrophobicContact CB-CE1 4.46Å; V413-F525 HydrophobicContact CG2-CB 4.09Å; V413-F525 HydrophobicContact CG2-CD1 3.68Å; V413-F525 HydrophobicContact CG2-CD2 4.01Å; V413-F525 HydrophobicContact CG2-CE1 4.06Å; V413-F525 HydrophobicContact CG2-CE2 4.37Å; V413-F525 HydrophobicContact CG2-CG 3.64Å; V413-F525 HydrophobicContact CG2-CZ 4.39Å; V413-Q528 HydrophobicContact CG1-CG 4.36Å; V413-Q528 HydrophobicContact CG2-CG 4.21Å
414	A	94.6	Very high	93.5	Very high	12 Å²	12	45.7 Å²	45.7	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-40	172.8	0	0	0	0	0	112.2	E410 M411 T417 Q419 F420	E410-A414 PolarHBondContact O-N 3.43Å; M411-A414 PolarHBondContact O-N 3.22Å; M411-A414 HydrophobicContact SD-CB 4.4Å; A414-T417 WeakPolarHBondContact CA-OG1 3.48Å; A414-T417 PolarHBondContact O-OG1 3.49Å; A414-Q419 HydrophobicContact CB-CG 4.47Å; A414-Q419 WeakPolarHBondContact O-CB 3.45Å; A414-Q419 WeakPolarHBondContact O-CG 3.32Å; A414-Q419 PolarHBondContact O-N 3.31Å; A414-F420 HydrophobicContact CB-CE2 3.96Å
415	A	93.3	Very high	93.5	Very high	6 Å²	6	46.9 Å²	46.9	5%	0.05	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-47	172.2	0	0	0	0	0	112.3	L394 M411 M412 V413 T417 G418 V427	L394-A415 HydrophobicContact CD1-CB 4.44Å; L394-A415 HydrophobicContact CD2-CB 4.41Å; M411-A415 WeakPolarHBondContact O-CB 3.28Å; M411-A415 PolarHBondContact O-N 3.31Å; M412-A415 PolarHBondContact O-N 3.35Å; V413-A415 VanDerWaalsContact C-N 3.32Å; V413-A415 PolarHBondContact O-N 2.87Å; A415-T417 VanDerWaalsContact C-N 3.28Å; A415-T417 PolarHBondContact O-N 3.12Å; A415-G418 PolarHBondContact O-N 3.3Å; A415-V427 HydrophobicContact CB-CG1 4.43Å; A415-V427 HydrophobicContact CB-CG2 4.2Å
416	L	92.3	Very high	93.3	Very high	58 Å²	58	49.1 Å²	49.1	30%	0.304	26%	0.257	S	S	.	.	H	α-helix	trans	-68.6	-20.3	178.1	-71.2	172.5	0	0	0	114.5	M412 V413 V429 I443	M412-L416 HydrophobicContact CE-CD1 4.03Å; M412-L416 HydrophobicContact CE-CG 4.24Å; M412-L416 HydrophobicContact CG-CD1 4.46Å; M412-L416 WeakPolarHBondContact O-CG 3.24Å; M412-L416 PolarHBondContact O-N 2.91Å; V413-L416 PolarHBondContact O-N 2.75Å; L416-V429 HydrophobicContact CD2-CG2 4.18Å; L416-I443 HydrophobicContact CD1-CG2 3.64Å
417	T	92.1	Very high	93.2	Very high	71 Å²	71	50.6 Å²	50.6	44%	0.436	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	10.5	176.8	51.7	0	0	0	0	113.6	V413 A414 A415 Q419	V413-T417 HydrophobicContact CG1-CG2 3.99Å; V413-T417 WeakPolarHBondContact O-CB 3.49Å; V413-T417 WeakPolarHBondContact O-CG2 3.47Å; V413-T417 PolarHBondContact O-N 3.48Å; V413-T417 PolarHBondContact O-OG1 3.1Å; A414-T417 WeakPolarHBondContact CA-OG1 3.48Å; A414-T417 PolarHBondContact O-OG1 3.49Å; A415-T417 VanDerWaalsContact C-N 3.28Å; A415-T417 PolarHBondContact O-N 3.12Å; T417-Q419 PolarHBondContact O-N 3.47Å; T417-Q419 PolarHBondContact OG1-NE2 3.3Å
418	G	90.4	Very high	93.2	Very high	23 Å²	23	50.9 Å²	50.9	24%	0.237	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	12	171.5	0	0	0	0	0	115.6	A415 F420 D421	A415-G418 PolarHBondContact O-N 3.3Å; G418-F420 PolarHBondContact O-N 3.42Å; G418-F420 VanDerWaalsContact O-N 3.07Å; G418-D421 VanDerWaalsContact CA-CG 3.44Å; G418-D421 WeakPolarHBondContact CA-OD1 3.34Å; G418-D421 WeakPolarHBondContact CA-OD2 3.3Å; G418-D421 WeakPolarHBondContact O-CB 3.49Å; G418-D421 PolarHBondContact O-N 3.25Å
419	Q	91.8	Very high	93.2	Very high	119 Å²	119	49 Å²	49	56%	0.556	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.6	-177.1	-59.9	-177.6	32.7	0	0	112.7	A414 T417 H422	A414-Q419 HydrophobicContact CB-CG 4.47Å; A414-Q419 WeakPolarHBondContact O-CB 3.45Å; A414-Q419 WeakPolarHBondContact O-CG 3.32Å; A414-Q419 PolarHBondContact O-N 3.31Å; T417-Q419 PolarHBondContact O-N 3.47Å; T417-Q419 PolarHBondContact OG1-NE2 3.3Å; Q419-H422 PolarHBondContact O-CE1 3.38Å; Q419-H422 PolarHBondContact O-ND1 2.99Å
420	F	90.7	Very high	93.3	Very high	36 Å²	36	48.3 Å²	48.3	16%	0.158	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	9	-178.2	-62.2	-84	0	0	0	114.2	V393 L394 M411 A414 G418 H422 L423 V424	V393-F420 HydrophobicContact CG1-CD1 3.81Å; V393-F420 HydrophobicContact CG1-CE1 4.46Å; V393-F420 HydrophobicContact CG1-CG 4.49Å; L394-F420 HydrophobicContact CD2-CD1 4.08Å; L394-F420 HydrophobicContact CD2-CD2 3.62Å; L394-F420 HydrophobicContact CD2-CE1 4.13Å; L394-F420 HydrophobicContact CD2-CE2 3.66Å; L394-F420 HydrophobicContact CD2-CG 3.83Å; L394-F420 HydrophobicContact CD2-CZ 3.92Å; M411-F420 HydrophobicContact SD-CE2 3.9Å; M411-F420 HydrophobicContact SD-CZ 3.75Å; A414-F420 HydrophobicContact CB-CE2 3.96Å; G418-F420 PolarHBondContact O-N 3.42Å; G418-F420 VanDerWaalsContact O-N 3.07Å; F420-H422 PolarHBondContact O-N 2.97Å; F420-L423 PolarHBondContact O-N 3.02Å; F420-V424 HydrophobicContact CB-CG2 4.03Å; F420-V424 PolarHBondContact O-N 2.92Å
421	D	90.4	Very high	93.4	Very high	91 Å²	91	41.5 Å²	41.5	49%	0.487	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-13.9	-175.9	-69.4	-4.2	0	0	0	114.7	G418 V424 K471	G418-D421 VanDerWaalsContact CA-CG 3.44Å; G418-D421 WeakPolarHBondContact CA-OD1 3.34Å; G418-D421 WeakPolarHBondContact CA-OD2 3.3Å; G418-D421 WeakPolarHBondContact O-CB 3.49Å; G418-D421 PolarHBondContact O-N 3.25Å; D421-V424 CarbonylContact C-O 3.59Å; D421-V424 WeakPolarHBondContact CA-O 3.19Å; D421-V424 VanDerWaalsContact O-O 3.13Å; D421-K471 WeakPolarHBondContact O-CE 3.17Å; D421-K471 PolarHBondContact O-NZ 2.65Å
422	H	90.4	Very high	93.5	Very high	135 Å²	135	39.8 Å²	39.8	63%	0.625	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-15.3	174.9	63.3	-79.7	0	0	0	113.5	Q419 F420	Q419-H422 PolarHBondContact O-CE1 3.38Å; Q419-H422 PolarHBondContact O-ND1 2.99Å; F420-H422 PolarHBondContact O-N 2.97Å
423	L	90.4	Very high	93.5	Very high	73 Å²	73	39.8 Å²	39.8	38%	0.382	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-27.6	177.4	-69.4	171.9	0	0	0	113	V393 F420 K471 R472	V393-L423 HydrophobicContact CG1-CB 4.02Å; V393-L423 HydrophobicContact CG1-CD1 3.91Å; V393-L423 HydrophobicContact CG2-CB 4.42Å; F420-L423 PolarHBondContact O-N 3.02Å; L423-K471 CarbonylContact O-C 3.49Å; L423-K471 VanDerWaalsContact O-CA 3.28Å; L423-K471 WeakPolarHBondContact O-CA 3.48Å; L423-R472 PolarHBondContact O-N 3.29Å; L423-R472 VanDerWaalsContact O-N 3.09Å
424	V	92.6	Very high	93.6	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.5	179.7	-176.3	0	0	0	0	108.6	V393 F420 D421 Q426 V427 K471 R472 V474	V393-V424 HydrophobicContact CG1-CG2 4.08Å; F420-V424 HydrophobicContact CB-CG2 4.03Å; F420-V424 PolarHBondContact O-N 2.92Å; D421-V424 CarbonylContact C-O 3.59Å; D421-V424 WeakPolarHBondContact CA-O 3.19Å; D421-V424 VanDerWaalsContact O-O 3.13Å; V424-Q426 WeakPolarHBondContact CG1-O 2.95Å; V424-V427 HydrophobicContact CG1-CG2 3.79Å; V424-K471 PolarHBondContact O-NZ 3.18Å; V424-R472 WeakPolarHBondContact CA-O 3.4Å; V424-V474 HydrophobicContact CG1-CB 4.23Å; V424-V474 HydrophobicContact CG1-CG2 3.93Å; V424-V474 HydrophobicContact CG2-CG2 3.82Å
425	D	92.5	Very high	93.6	Very high	48 Å²	48	41.3 Å²	41.3	26%	0.257	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-35	172.9	-152.1	48.7	0	0	0	111.8	P466 S467 K471 R472	D425-P466 HydrophobicContact CB-CB 3.97Å; D425-S467 WeakPolarHBondContact OD2-CB 3.46Å; D425-S467 PolarHBondContact OD2-N 3.48Å; D425-S467 PolarHBondContact OD2-OG 3.11Å; D425-K471 HydrophobicContact CB-CB 3.89Å; D425-K471 HydrophobicContact CB-CD 3.66Å; D425-K471 HydrophobicContact CB-CG 4.5Å; D425-K471 WeakPolarHBondContact OD1-CD 3.42Å; D425-K471 WeakPolarHBondContact OD1-CE 3.42Å; D425-K471 IonicContact OD1-NZ 3.25Å; D425-K471 PolarHBondContact OD1-NZ 3.34Å; D425-R472 PolarHBondContact N-O 3.03Å
426	Q	91.4	Very high	93.7	Very high	89 Å²	89	41.3 Å²	41.3	42%	0.416	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	130.3	178.4	-167.2	175.1	7	0	0	111	V424 I428 I464 V474	V424-Q426 WeakPolarHBondContact CG1-O 2.95Å; Q426-I428 HydrophobicContact CG-CG1 3.97Å; Q426-I464 VanDerWaalsContact OE1-CG2 3.23Å; Q426-V474 PolarHBondContact O-N 3.42Å
427	V	94.6	Very high	93.9	Very high	37 Å²	37	38.5 Å²	38.5	22%	0.224	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	118.6	166.9	-178.9	0	0	0	0	107.5	A415 V424 V429 V474 V476	A415-V427 HydrophobicContact CB-CG1 4.43Å; A415-V427 HydrophobicContact CB-CG2 4.2Å; V424-V427 HydrophobicContact CG1-CG2 3.79Å; V427-V429 HydrophobicContact CG1-CG2 4.31Å; V427-V474 WeakPolarHBondContact CA-O 3.4Å; V427-V476 HydrophobicContact CG1-CG2 4.43Å
428	I	95.7	Very high	94.1	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.9	178.2	-53.6	179	0	0	0	108.2	Q426 I430 L447 I464 V473 V474 I475 V476	Q426-I428 HydrophobicContact CG-CG1 3.97Å; I428-I430 HydrophobicContact CG2-CD1 4.35Å; I428-I430 HydrophobicContact CG2-CG1 4.05Å; I428-L447 HydrophobicContact CG2-CD1 4.14Å; I428-I464 HydrophobicContact CD1-CD1 3.55Å; I428-I464 HydrophobicContact CD1-CG2 4.35Å; I428-V473 HydrophobicContact CD1-CG1 3.63Å; I428-V473 HydrophobicContact CG1-CG1 4.12Å; I428-V474 PolarHBondContact N-O 3.18Å; I428-I475 HydrophobicContact CB-CG1 4.25Å; I428-I475 HydrophobicContact CD1-CG1 4.46Å; I428-I475 CarbonylContact O-C 3.28Å; I428-I475 WeakPolarHBondContact O-CA 3.4Å; I428-V476 PolarHBondContact O-N 2.87Å
429	V	97.2	Very high	94.4	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119.9	-178.1	-167	0	0	0	0	108.7	M412 L416 V427 A446 L447	M412-V429 HydrophobicContact CE-CB 4Å; M412-V429 HydrophobicContact CE-CG1 3.4Å; M412-V429 HydrophobicContact CE-CG2 3.37Å; L416-V429 HydrophobicContact CD2-CG2 4.18Å; V427-V429 HydrophobicContact CG1-CG2 4.31Å; V429-A446 HydrophobicContact CB-CB 3.89Å; V429-A446 HydrophobicContact CG1-CB 3.77Å; V429-A446 WeakPolarHBondContact O-CA 3.11Å; V429-L447 PolarHBondContact O-N 2.84Å
430	I	97.7	Very high	94.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	109.2	-175.5	-58.8	-177.5	0	0	0	109.6	I428 L449 L459 I475 V476 F477 H478	I428-I430 HydrophobicContact CG2-CD1 4.35Å; I428-I430 HydrophobicContact CG2-CG1 4.05Å; I430-L449 HydrophobicContact CD1-CD1 4.22Å; I430-L449 HydrophobicContact CG1-CD1 4.36Å; I430-L449 HydrophobicContact CG2-CB 4Å; I430-L449 HydrophobicContact CG2-CD1 4.14Å; I430-L449 HydrophobicContact CG2-CG 4.43Å; I430-L459 HydrophobicContact CD1-CD1 3.86Å; I430-L459 HydrophobicContact CD1-CD2 4.38Å; I430-L459 HydrophobicContact CD1-CG 4.41Å; I430-I475 HydrophobicContact CD1-CG2 3.59Å; I430-I475 HydrophobicContact CG1-CG2 4.03Å; I430-V476 PolarHBondContact N-O 3.33Å; I430-F477 HydrophobicContact CB-CD1 3.85Å; I430-F477 HydrophobicContact CB-CE1 4.1Å; I430-F477 HydrophobicContact CD1-CD1 4.34Å; I430-F477 HydrophobicContact CD1-CE1 3.72Å; I430-F477 HydrophobicContact CD1-CZ 4.13Å; I430-F477 HydrophobicContact CG1-CE1 4.45Å; I430-F477 HydrophobicContact CG2-CD1 3.91Å; I430-F477 HydrophobicContact CG2-CE1 4.05Å; I430-H478 PolarHBondContact O-N 3.46Å
431	D	97.9	Very high	94.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	110.9	174.7	-164.7	-19	0	0	0	109.8	R433 F438 L447 N448 L449 H478	D431-R433 VanDerWaalsContact C-N 3.28Å; D431-R433 PolarHBondContact O-N 2.79Å; D431-R433 WeakPolarHBondContact OD1-CB 3.49Å; D431-R433 WeakPolarHBondContact OD1-CG 3.46Å; D431-R433 PolarHBondContact OD1-N 3.21Å; D431-R433 IonicContact OD1-NE 2.64Å; D431-R433 PolarHBondContact OD1-NE 3.33Å; D431-R433 VanDerWaalsContact OD1-NE 3.14Å; D431-R433 IonicContact OD2-CZ 3.56Å; D431-R433 VanDerWaalsContact OD2-CZ 3.22Å; D431-R433 IonicContact OD2-NE 3.14Å; D431-R433 PolarHBondContact OD2-NE 3.47Å; D431-R433 IonicContact OD2-NH2 2.69Å; D431-R433 PolarHBondContact OD2-NH2 3.26Å; D431-F438 HydrophobicContact CB-CD2 3.85Å; D431-F438 HydrophobicContact CB-CE2 4.22Å; D431-L447 PolarHBondContact N-O 2.7Å; D431-N448 PolarHBondContact O-ND2 2.77Å; D431-L449 PolarHBondContact O-N 2.73Å; D431-H478 IonicContact OD1-CE1 3.25Å; D431-H478 IonicContact OD1-ND1 2.77Å; D431-H478 IonicContact OD2-CE1 3.52Å; D431-H478 PolarHBondContact OD2-CE1 3Å; D431-H478 IonicContact OD2-NE2 2.95Å
432	C	96.7	Very high	95.2	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.034	16%	0.155	C	C	.	.			trans	-89.8	13.9	-179.6	-52.8	0	0	0	0	112.6	H478 C479 R485	C432-H478 VanDerWaalsContact CB-O 3.28Å; C432-H478 WeakPolarHBondContact CB-O 3.4Å; C432-H478 PolarHBondContact N-O 2.94Å; C432-C479 HydrophobicContact CB-CB 4.32Å; C432-R485 HydrophobicContact CB-CB 4.43Å
433	R	96.1	Very high	95.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-76.7	162.7	170.7	-68.4	-177.3	-61.9	152	0.5	112.1	D431 E437 G441 N448 H450 C479 E480	D431-R433 VanDerWaalsContact C-N 3.28Å; D431-R433 PolarHBondContact O-N 2.79Å; D431-R433 WeakPolarHBondContact OD1-CB 3.49Å; D431-R433 WeakPolarHBondContact OD1-CG 3.46Å; D431-R433 PolarHBondContact OD1-N 3.21Å; D431-R433 IonicContact OD1-NE 2.64Å; D431-R433 PolarHBondContact OD1-NE 3.33Å; D431-R433 VanDerWaalsContact OD1-NE 3.14Å; D431-R433 IonicContact OD2-CZ 3.56Å; D431-R433 VanDerWaalsContact OD2-CZ 3.22Å; D431-R433 IonicContact OD2-NE 3.14Å; D431-R433 PolarHBondContact OD2-NE 3.47Å; D431-R433 IonicContact OD2-NH2 2.69Å; D431-R433 PolarHBondContact OD2-NH2 3.26Å; R433-E437 HydrophobicContact CB-CB 3.8Å; R433-E437 HydrophobicContact CB-CG 4.36Å; R433-E437 WeakPolarHBondContact CB-OE2 3.19Å; R433-E437 VanDerWaalsContact CD-OE2 3.32Å; R433-E437 WeakPolarHBondContact CD-OE2 3.49Å; R433-E437 HydrophobicContact CG-CB 4.37Å; R433-E437 VanDerWaalsContact CG-OE2 3.29Å; R433-E437 WeakPolarHBondContact CG-OE2 3.41Å; R433-E437 PolarHBondContact NH1-O 3.23Å; R433-G441 PolarHBondContact NH1-O 3.05Å; R433-G441 PolarHBondContact NH2-O 2.75Å; R433-N448 PolarHBondContact O-ND2 3.19Å; R433-H450 WeakPolarHBondContact O-CB 3.43Å; R433-C479 HydrophobicContact CG-CB 3.99Å; R433-E480 HydrophobicContact CG-CB 4.3Å
434	Y	96	Very high	95.7	Very high	28 Å²	28	25 Å²	25	11%	0.11	12%	0.123	C	C	.	.			trans	-68.4	156.4	174.2	-60.3	-54.5	0	0	0	111.6	Y436 E437 F438 M537 L546 C549	Y434-Y436 VanDerWaalsContact C-N 3.29Å; Y434-Y436 VanDerWaalsContact CB-CE1 3.44Å; Y434-Y436 AromaticContact CD2-CE1 3.84Å; Y434-Y436 HydrophobicContact CD2-CE1 3.84Å; Y434-Y436 AromaticContact CG-CE1 3.99Å; Y434-Y436 HydrophobicContact CG-CE1 3.99Å; Y434-Y436 PolarHBondContact O-N 2.99Å; Y434-E437 WeakPolarHBondContact CB-OE1 3.37Å; Y434-E437 VanDerWaalsContact CD2-OE1 3.24Å; Y434-E437 WeakPolarHBondContact CD2-OE1 3.3Å; Y434-E437 PolarHBondContact N-OE1 2.94Å; Y434-E437 WeakPolarHBondContact O-CB 3.36Å; Y434-E437 PolarHBondContact O-N 3.25Å; Y434-F438 PolarHBondContact O-N 2.97Å; Y434-M537 HydrophobicContact CD2-CG 4.4Å; Y434-M537 HydrophobicContact CE2-CE 4.15Å; Y434-M537 HydrophobicContact CE2-CG 4.37Å; Y434-M537 HydrophobicContact CE2-SD 4.29Å; Y434-L546 HydrophobicContact CD2-CD1 4.29Å; Y434-L546 HydrophobicContact CE2-CD1 3.79Å; Y434-C549 HydrophobicContact CD1-CB 3.53Å; Y434-C549 HydrophobicContact CD2-CB 4.32Å; Y434-C549 HydrophobicContact CE1-CB 3.62Å; Y434-C549 HydrophobicContact CE2-CB 4.39Å; Y434-C549 HydrophobicContact CG-CB 3.89Å
435	P	95.6	Very high	95.8	Very high	36 Å²	36	28 Å²	28	23%	0.234	16%	0.155	C	C	.	.	H	α-helix	trans	-53.6	-41.9	-174.5	-29.5	36.6	0	0	0	113.9	E437 F438 E439 H450	P435-E437 VanDerWaalsContact C-N 3.3Å; P435-E437 PolarHBondContact O-N 3.11Å; P435-F438 WeakPolarHBondContact O-CB 3.49Å; P435-F438 PolarHBondContact O-N 3.27Å; P435-F438 VanDerWaalsContact O-N 3.1Å; P435-E439 WeakPolarHBondContact O-CB 3.26Å; P435-E439 VanDerWaalsContact O-CG 3.29Å; P435-E439 WeakPolarHBondContact O-CG 3.31Å; P435-E439 PolarHBondContact O-N 3.31Å; P435-H450 WeakPolarHBondContact CG-CE1 3.41Å
436	Y	95.3	Very high	96	Very high	6 Å²	6	26.1 Å²	26.1	2%	0.024	15%	0.146	C	C	.	.	H	α-helix	trans	-62.6	-33.4	179.1	69.2	-91.3	0	0	0	113.1	Y434 G440 R535 M537 F542 D545	Y434-Y436 VanDerWaalsContact C-N 3.29Å; Y434-Y436 VanDerWaalsContact CB-CE1 3.44Å; Y434-Y436 AromaticContact CD2-CE1 3.84Å; Y434-Y436 HydrophobicContact CD2-CE1 3.84Å; Y434-Y436 AromaticContact CG-CE1 3.99Å; Y434-Y436 HydrophobicContact CG-CE1 3.99Å; Y434-Y436 PolarHBondContact O-N 2.99Å; Y436-G440 PolarHBondContact O-N 3.45Å; Y436-R535 WeakPolarHBondContact O-CD 3.16Å; Y436-R535 PolarHBondContact O-NH1 2.92Å; Y436-M537 PolarHBondContact OH-O 3.26Å; Y436-F542 HydrophobicContact CD2-CB 3.6Å; Y436-F542 HydrophobicContact CD2-CD1 4.02Å; Y436-F542 AromaticContact CD2-CG 3.79Å; Y436-F542 HydrophobicContact CD2-CG 3.79Å; Y436-F542 HydrophobicContact CE2-CB 3.81Å; Y436-F542 HydrophobicContact CE2-CG 4.48Å; Y436-F542 HydrophobicContact CG-CB 4.16Å; Y436-F542 AromaticContact CG-CD1 3.96Å; Y436-F542 HydrophobicContact CG-CD1 3.96Å; Y436-F542 HydrophobicContact CG-CG 4.2Å; Y436-D545 HydrophobicContact CD1-CB 3.94Å; Y436-D545 HydrophobicContact CE1-CB 4.38Å; Y436-D545 HydrophobicContact CG-CB 4.48Å
437	E	96.4	Very high	96.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69.8	-38	175.2	-63.2	167.5	-102.2	0	0	111.4	R433 Y434 P435 G440 R485 M537	R433-E437 HydrophobicContact CB-CB 3.8Å; R433-E437 HydrophobicContact CB-CG 4.36Å; R433-E437 WeakPolarHBondContact CB-OE2 3.19Å; R433-E437 VanDerWaalsContact CD-OE2 3.32Å; R433-E437 WeakPolarHBondContact CD-OE2 3.49Å; R433-E437 HydrophobicContact CG-CB 4.37Å; R433-E437 VanDerWaalsContact CG-OE2 3.29Å; R433-E437 WeakPolarHBondContact CG-OE2 3.41Å; R433-E437 PolarHBondContact NH1-O 3.23Å; Y434-E437 WeakPolarHBondContact CB-OE1 3.37Å; Y434-E437 VanDerWaalsContact CD2-OE1 3.24Å; Y434-E437 WeakPolarHBondContact CD2-OE1 3.3Å; Y434-E437 PolarHBondContact N-OE1 2.94Å; Y434-E437 WeakPolarHBondContact O-CB 3.36Å; Y434-E437 PolarHBondContact O-N 3.25Å; P435-E437 VanDerWaalsContact C-N 3.3Å; P435-E437 PolarHBondContact O-N 3.11Å; E437-G440 PolarHBondContact O-N 2.95Å; E437-R485 IonicContact OE1-CZ 3.22Å; E437-R485 IonicContact OE1-NH1 2.95Å; E437-R485 PolarHBondContact OE1-NH1 2.7Å; E437-R485 IonicContact OE1-NH2 2.66Å; E437-R485 IonicContact OE2-CZ 3.68Å; E437-R485 IonicContact OE2-NH1 3.58Å; E437-R485 PolarHBondContact OE2-NH1 2.93Å; E437-R485 IonicContact OE2-NH2 2.87Å; E437-R485 PolarHBondContact OE2-NH2 3.33Å; E437-M537 HydrophobicContact CG-CB 4.48Å
438	F	97.1	Very high	96.3	Very high	35 Å²	35	24.8 Å²	24.8	15%	0.154	14%	0.14	C	C	.	.	H	α-helix	trans	-71.5	-45.9	179.5	175.9	-88	0	0	0	112.1	D431 Y434 P435 G440 G441 H442 A446 N448	D431-F438 HydrophobicContact CB-CD2 3.85Å; D431-F438 HydrophobicContact CB-CE2 4.22Å; Y434-F438 PolarHBondContact O-N 2.97Å; P435-F438 WeakPolarHBondContact O-CB 3.49Å; P435-F438 PolarHBondContact O-N 3.27Å; P435-F438 VanDerWaalsContact O-N 3.1Å; F438-G440 PolarHBondContact O-N 2.81Å; F438-G441 CarbonylContact O-C 3.55Å; F438-G441 VanDerWaalsContact O-C 3.28Å; F438-G441 PolarHBondContact O-N 2.95Å; F438-H442 AromaticContact CD1-ND1 3.66Å; F438-H442 HydrophobicContact CD2-CB 3.31Å; F438-H442 AromaticContact CD2-CG 3.55Å; F438-H442 AromaticContact CD2-ND1 3.95Å; F438-H442 AromaticContact CE1-CE1 3.55Å; F438-H442 AromaticContact CE1-CG 3.89Å; F438-H442 AromaticContact CE1-ND1 3.54Å; F438-H442 AromaticContact CE1-NE2 3.86Å; F438-H442 HydrophobicContact CE2-CB 3.49Å; F438-H442 VanDerWaalsContact CE2-CB 3.49Å; F438-H442 AromaticContact CE2-CD2 3.44Å; F438-H442 VanDerWaalsContact CE2-CD2 3.44Å; F438-H442 WeakPolarHBondContact CE2-CD2 3.4Å; F438-H442 AromaticContact CE2-CG 3.31Å; F438-H442 AromaticContact CE2-ND1 3.86Å; F438-H442 HydrophobicContact CG-CB 3.9Å; F438-H442 AromaticContact CG-CG 3.94Å; F438-H442 AromaticContact CG-ND1 3.86Å; F438-H442 HydrophobicContact CZ-CB 4.19Å; F438-H442 AromaticContact CZ-CD2 3.37Å; F438-H442 WeakPolarHBondContact CZ-CD2 3.48Å; F438-H442 AromaticContact CZ-CE1 3.66Å; F438-H442 AromaticContact CZ-CG 3.49Å; F438-H442 VanDerWaalsContact CZ-CG 3.49Å; F438-H442 AromaticContact CZ-ND1 3.64Å; F438-H442 AromaticContact CZ-NE2 3.5Å; F438-H442 WeakPolarHBondContact CZ-NE2 3.23Å; F438-H442 PolarHBondContact O-ND1 3.5Å; F438-A446 HydrophobicContact CE2-CB 4.34Å; F438-A446 WeakPolarHBondContact CE2-O 3.33Å; F438-A446 WeakPolarHBondContact CZ-O 3.35Å; F438-N448 HydrophobicContact CB-CB 4.3Å; F438-N448 HydrophobicContact CD1-CB 3.88Å; F438-N448 HydrophobicContact CD2-CB 3.71Å; F438-N448 HydrophobicContact CE1-CB 4.05Å; F438-N448 HydrophobicContact CE2-CB 3.88Å; F438-N448 HydrophobicContact CG-CB 3.71Å; F438-N448 HydrophobicContact CZ-CB 4.05Å
439	E	96.4	Very high	96.3	Very high	119 Å²	119	25.5 Å²	25.5	56%	0.556	14%	0.144	S	C	*	.	H	α-helix	trans	-59.9	-30	170	-69.2	162.3	-157.9	0	0	111.8	P435 G441 P531	P435-E439 WeakPolarHBondContact O-CB 3.26Å; P435-E439 VanDerWaalsContact O-CG 3.29Å; P435-E439 WeakPolarHBondContact O-CG 3.31Å; P435-E439 PolarHBondContact O-N 3.31Å; E439-G441 PolarHBondContact O-N 3.26Å; E439-P531 WeakPolarHBondContact O-CG 3.39Å
440	G	95.2	Very high	96.1	Very high	3 Å²	3	27.1 Å²	27.1	3%	0.031	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	5.3	172.5	0	0	0	0	0	115.2	Y436 E437 F438 S533 R535	Y436-G440 PolarHBondContact O-N 3.45Å; E437-G440 PolarHBondContact O-N 2.95Å; F438-G440 PolarHBondContact O-N 2.81Å; G440-S533 CarbonylContact O-C 3.58Å; G440-S533 WeakPolarHBondContact O-CB 3.49Å; G440-S533 PolarHBondContact O-OG 3.09Å; G440-R535 PolarHBondContact O-N 2.97Å
441	G	96.7	Very high	95.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.			trans	123.5	124.4	179.7	0	0	0	0	0	111.5	R433 F438 E439 Y518 P531	R433-G441 PolarHBondContact NH1-O 3.05Å; R433-G441 PolarHBondContact NH2-O 2.75Å; F438-G441 CarbonylContact O-C 3.55Å; F438-G441 VanDerWaalsContact O-C 3.28Å; F438-G441 PolarHBondContact O-N 2.95Å; E439-G441 PolarHBondContact O-N 3.26Å; G441-Y518 VanDerWaalsContact C-CZ 3.45Å; G441-Y518 VanDerWaalsContact C-OH 3.23Å; G441-Y518 WeakPolarHBondContact O-CE1 3.32Å; G441-Y518 PolarHBondContact O-OH 3.13Å; G441-P531 WeakPolarHBondContact CA-O 3.32Å
442	H	97.4	Very high	95.5	Very high	33 Å²	33	30.9 Å²	30.9	15%	0.153	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	170.2	178.2	57.6	-86.7	0	0	0	111.5	F438 Y518 C529 E530	F438-H442 AromaticContact CD1-ND1 3.66Å; F438-H442 HydrophobicContact CD2-CB 3.31Å; F438-H442 AromaticContact CD2-CG 3.55Å; F438-H442 AromaticContact CD2-ND1 3.95Å; F438-H442 AromaticContact CE1-CE1 3.55Å; F438-H442 AromaticContact CE1-CG 3.89Å; F438-H442 AromaticContact CE1-ND1 3.54Å; F438-H442 AromaticContact CE1-NE2 3.86Å; F438-H442 HydrophobicContact CE2-CB 3.49Å; F438-H442 VanDerWaalsContact CE2-CB 3.49Å; F438-H442 AromaticContact CE2-CD2 3.44Å; F438-H442 VanDerWaalsContact CE2-CD2 3.44Å; F438-H442 WeakPolarHBondContact CE2-CD2 3.4Å; F438-H442 AromaticContact CE2-CG 3.31Å; F438-H442 AromaticContact CE2-ND1 3.86Å; F438-H442 HydrophobicContact CG-CB 3.9Å; F438-H442 AromaticContact CG-CG 3.94Å; F438-H442 AromaticContact CG-ND1 3.86Å; F438-H442 HydrophobicContact CZ-CB 4.19Å; F438-H442 AromaticContact CZ-CD2 3.37Å; F438-H442 WeakPolarHBondContact CZ-CD2 3.48Å; F438-H442 AromaticContact CZ-CE1 3.66Å; F438-H442 AromaticContact CZ-CG 3.49Å; F438-H442 VanDerWaalsContact CZ-CG 3.49Å; F438-H442 AromaticContact CZ-ND1 3.64Å; F438-H442 AromaticContact CZ-NE2 3.5Å; F438-H442 WeakPolarHBondContact CZ-NE2 3.23Å; F438-H442 PolarHBondContact O-ND1 3.5Å; H442-Y518 VanDerWaalsContact C-CE2 3.5Å; H442-Y518 PolarHBondContact N-OH 2.73Å; H442-C529 CarbonylContact O-C 3.49Å; H442-C529 WeakPolarHBondContact O-CA 3.49Å; H442-E530 PolarHBondContact CE1-O 3.12Å; H442-E530 PolarHBondContact N-O 2.84Å; H442-E530 PolarHBondContact ND1-O 3.13Å; H442-E530 PolarHBondContact O-N 2.97Å
443	I	96.9	Very high	95.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	133.3	175.9	-52.2	-177.4	0	0	0	108.6	M412 L416 G445 A446 L514 Y518 F521	M412-I443 HydrophobicContact CE-CD1 4.41Å; M412-I443 HydrophobicContact CE-CG2 4.42Å; L416-I443 HydrophobicContact CD1-CG2 3.64Å; I443-G445 PolarHBondContact O-N 2.82Å; I443-A446 HydrophobicContact CB-CB 4.28Å; I443-A446 WeakPolarHBondContact O-CB 3.49Å; I443-A446 PolarHBondContact O-N 3.08Å; I443-L514 HydrophobicContact CD1-CD2 3.56Å; I443-Y518 HydrophobicContact CG1-CD2 3.74Å; I443-Y518 HydrophobicContact CG1-CE2 4.05Å; I443-F521 HydrophobicContact CB-CE1 4.33Å; I443-F521 HydrophobicContact CD1-CD1 3.84Å; I443-F521 HydrophobicContact CD1-CD2 4.18Å; I443-F521 HydrophobicContact CD1-CE1 3.95Å; I443-F521 HydrophobicContact CD1-CE2 4.29Å; I443-F521 HydrophobicContact CD1-CG 3.96Å; I443-F521 HydrophobicContact CD1-CZ 4.18Å; I443-F521 HydrophobicContact CG1-CD1 3.77Å; I443-F521 HydrophobicContact CG1-CE1 3.73Å; I443-F521 HydrophobicContact CG1-CG 4.39Å; I443-F521 HydrophobicContact CG1-CZ 4.34Å; I443-F521 HydrophobicContact CG2-CE1 3.93Å; I443-F521 HydrophobicContact CG2-CZ 3.94Å
444	K	95.2	Very high	95	Very high	73 Å²	73	36.4 Å²	36.4	32%	0.317	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	130.9	-179.1	-77.2	176.1	176.5	169.6	0	111.9	A446 T527 Q528 C529 E530	K444-A446 VanDerWaalsContact C-N 3.28Å; K444-A446 PolarHBondContact O-N 2.93Å; K444-T527 PolarHBondContact NZ-O 3.33Å; K444-Q528 WeakPolarHBondContact CG-O 3.29Å; K444-Q528 PolarHBondContact N-O 3.33Å; K444-C529 WeakPolarHBondContact CE-O 3.34Å; K444-E530 VanDerWaalsContact CE-OE2 3.27Å; K444-E530 WeakPolarHBondContact CE-OE2 3.44Å; K444-E530 HydrophobicContact CG-CB 3.83Å
445	G	93.4	Very high	94.8	Very high	67 Å²	67	35 Å²	35	69%	0.691	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	2.7	-176.2	0	0	0	0	0	115.1	I443	I443-G445 PolarHBondContact O-N 2.82Å
446	A	96.6	Very high	94.6	Very high	8 Å²	8	35.4 Å²	35.4	7%	0.066	19%	0.189	C	C	.	.			trans	-74.9	147.3	174.6	0	0	0	0	0	112.9	V429 F438 I443 K444	V429-A446 HydrophobicContact CB-CB 3.89Å; V429-A446 HydrophobicContact CG1-CB 3.77Å; V429-A446 WeakPolarHBondContact O-CA 3.11Å; F438-A446 HydrophobicContact CE2-CB 4.34Å; F438-A446 WeakPolarHBondContact CE2-O 3.33Å; F438-A446 WeakPolarHBondContact CZ-O 3.35Å; I443-A446 HydrophobicContact CB-CB 4.28Å; I443-A446 WeakPolarHBondContact O-CB 3.49Å; I443-A446 PolarHBondContact O-N 3.08Å; K444-A446 VanDerWaalsContact C-N 3.28Å; K444-A446 PolarHBondContact O-N 2.93Å
447	L	96.6	Very high	94.4	Very high	63 Å²	63	38.8 Å²	38.8	33%	0.33	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.4	179.2	-56.2	176.7	0	0	0	109.2	I428 V429 D431 L449 F458	I428-L447 HydrophobicContact CG2-CD1 4.14Å; V429-L447 PolarHBondContact O-N 2.84Å; D431-L447 PolarHBondContact N-O 2.7Å; L447-L449 HydrophobicContact CB-CD1 4.32Å; L447-L449 HydrophobicContact CB-CG 4.25Å; L447-L449 PolarHBondContact O-N 2.93Å; L447-F458 HydrophobicContact CD1-CD1 4.18Å; L447-F458 HydrophobicContact CD1-CE1 3.38Å; L447-F458 HydrophobicContact CD1-CE2 4.13Å; L447-F458 HydrophobicContact CD1-CZ 3.35Å
448	N	97.2	Very high	94.2	Very high	36 Å²	36	42.5 Å²	42.5	19%	0.193	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	105.1	172.4	-171.1	-107.3	0	0	0	110.5	D431 R433 F438 H450	D431-N448 PolarHBondContact O-ND2 2.77Å; R433-N448 PolarHBondContact O-ND2 3.19Å; F438-N448 HydrophobicContact CB-CB 4.3Å; F438-N448 HydrophobicContact CD1-CB 3.88Å; F438-N448 HydrophobicContact CD2-CB 3.71Å; F438-N448 HydrophobicContact CE1-CB 4.05Å; F438-N448 HydrophobicContact CE2-CB 3.88Å; F438-N448 HydrophobicContact CG-CB 3.71Å; F438-N448 HydrophobicContact CZ-CB 4.05Å; N448-H450 PolarHBondContact OD1-ND1 3.12Å; N448-H450 VanDerWaalsContact OD1-ND1 3.15Å
449	L	95.4	Very high	93.9	Very high	20 Å²	20	40.8 Å²	40.8	11%	0.105	22%	0.216	C	C	.	.			trans	-129.4	82	177.1	-55	170.7	0	0	0	108.1	I430 D431 L447 Q454 V455 F458	I430-L449 HydrophobicContact CD1-CD1 4.22Å; I430-L449 HydrophobicContact CG1-CD1 4.36Å; I430-L449 HydrophobicContact CG2-CB 4Å; I430-L449 HydrophobicContact CG2-CD1 4.14Å; I430-L449 HydrophobicContact CG2-CG 4.43Å; D431-L449 PolarHBondContact O-N 2.73Å; L447-L449 HydrophobicContact CB-CD1 4.32Å; L447-L449 HydrophobicContact CB-CG 4.25Å; L447-L449 PolarHBondContact O-N 2.93Å; L449-Q454 HydrophobicContact CD2-CB 4.15Å; L449-V455 HydrophobicContact CB-CG2 3.42Å; L449-V455 VanDerWaalsContact CB-CG2 3.42Å; L449-V455 HydrophobicContact CD1-CG2 4.25Å; L449-V455 HydrophobicContact CG-CG2 4.44Å; L449-F458 HydrophobicContact CD1-CB 4.09Å; L449-F458 HydrophobicContact CD1-CD1 3.87Å; L449-F458 HydrophobicContact CD1-CG 4.1Å; L449-F458 HydrophobicContact CD2-CB 4.36Å
450	H	92.6	Very high	93.5	Very high	38 Å²	38	36.1 Å²	36.1	18%	0.176	20%	0.195	C	C	.	.			trans	-92.3	-6.7	-170.4	71.5	-89.4	0	0	0	113.7	R433 P435 N448	R433-H450 WeakPolarHBondContact O-CB 3.43Å; P435-H450 WeakPolarHBondContact CG-CE1 3.41Å; N448-H450 PolarHBondContact OD1-ND1 3.12Å; N448-H450 VanDerWaalsContact OD1-ND1 3.15Å
451	Q	91.5	Very high	93.1	Very high	42 Å²	42	42.7 Å²	42.7	20%	0.196	22%	0.222	C	C	.	.	S	Bend	trans	-117.3	140.7	177.4	-54.4	177.4	12.7	0	0	110	D453 Q454 V455	Q451-D453 VanDerWaalsContact C-N 3.28Å; Q451-D453 PolarHBondContact O-N 3.35Å; Q451-Q454 HydrophobicContact CB-CB 4.41Å; Q451-Q454 HydrophobicContact CB-CG 3.97Å; Q451-Q454 WeakPolarHBondContact O-CB 3.5Å; Q451-Q454 PolarHBondContact O-N 3.17Å; Q451-V455 PolarHBondContact O-N 2.9Å
452	E	90.4	Very high	92.7	Very high	37 Å²	37	47.3 Å²	47.3	17%	0.173	25%	0.251	C	S	.	.	H	α-helix	trans	-57.7	-41	-179.6	-70.4	172.4	-160.6	0	0	111.8	Q454 V455 E456 R488 M489 F492 R560	E452-Q454 VanDerWaalsContact C-N 3.31Å; E452-Q454 PolarHBondContact O-N 3.02Å; E452-V455 PolarHBondContact O-N 2.85Å; E452-E456 WeakPolarHBondContact O-CB 3.15Å; E452-E456 PolarHBondContact O-N 3.46Å; E452-R488 IonicContact OE1-CZ 3.14Å; E452-R488 VanDerWaalsContact OE1-CZ 3.25Å; E452-R488 IonicContact OE1-NE 2.76Å; E452-R488 PolarHBondContact OE1-NE 3.21Å; E452-R488 IonicContact OE1-NH2 2.7Å; E452-R488 PolarHBondContact OE1-NH2 2.94Å; E452-M489 HydrophobicContact CG-CE 4.13Å; E452-M489 HydrophobicContact CG-SD 3.93Å; E452-F492 HydrophobicContact CB-CD1 3.98Å; E452-F492 HydrophobicContact CB-CD2 4.36Å; E452-F492 HydrophobicContact CB-CE1 3.68Å; E452-F492 HydrophobicContact CB-CE2 4.07Å; E452-F492 HydrophobicContact CB-CG 4.32Å; E452-F492 HydrophobicContact CB-CZ 3.73Å; E452-F492 HydrophobicContact CG-CD1 4Å; E452-F492 HydrophobicContact CG-CD2 4.2Å; E452-F492 HydrophobicContact CG-CE1 4.23Å; E452-F492 HydrophobicContact CG-CE2 4.41Å; E452-F492 HydrophobicContact CG-CG 4Å; E452-F492 HydrophobicContact CG-CZ 4.43Å; E452-F492 VanDerWaalsContact O-CE1 3.3Å; E452-F492 WeakPolarHBondContact O-CE1 3.31Å; E452-R560 IonicContact OE2-CZ 3.39Å; E452-R560 IonicContact OE2-NH1 2.65Å; E452-R560 PolarHBondContact OE2-NH1 3.35Å; E452-R560 IonicContact OE2-NH2 3.77Å
453	D	90.9	Very high	92.2	Very high	55 Å²	55	48 Å²	48	29%	0.294	26%	0.259	S	S	.	.	H	α-helix	trans	-61	-35.7	175.6	-64.9	11.4	0	0	0	112.3	Q451 D457 W556 R560	Q451-D453 VanDerWaalsContact C-N 3.28Å; Q451-D453 PolarHBondContact O-N 3.35Å; D453-D457 VanDerWaalsContact O-CB 3.29Å; D453-D457 WeakPolarHBondContact O-CB 3.46Å; D453-D457 PolarHBondContact O-N 3.04Å; D453-W556 PolarHBondContact OD2-NE1 3.2Å; D453-R560 IonicContact OD1-CZ 3.62Å; D453-R560 IonicContact OD1-NE 3.81Å; D453-R560 IonicContact OD1-NH2 2.7Å; D453-R560 PolarHBondContact OD1-NH2 2.88Å
454	Q	91.7	Very high	91.7	Very high	65 Å²	65	49.9 Å²	49.9	30%	0.304	27%	0.268	S	S	.	.	H	α-helix	trans	-69.6	-36.8	178.1	-67.8	170.6	-22.7	0	0	112.1	L449 Q451 E452 F458	L449-Q454 HydrophobicContact CD2-CB 4.15Å; Q451-Q454 HydrophobicContact CB-CB 4.41Å; Q451-Q454 HydrophobicContact CB-CG 3.97Å; Q451-Q454 WeakPolarHBondContact O-CB 3.5Å; Q451-Q454 PolarHBondContact O-N 3.17Å; E452-Q454 VanDerWaalsContact C-N 3.31Å; E452-Q454 PolarHBondContact O-N 3.02Å; Q454-F458 WeakPolarHBondContact O-CB 3.28Å; Q454-F458 PolarHBondContact O-N 2.62Å
455	V	91.8	Very high	91.2	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-74.7	-39.4	179.2	-175.3	0	0	0	0	110.9	L449 Q451 E452 D457 F458 L459 M489 V493	L449-V455 HydrophobicContact CB-CG2 3.42Å; L449-V455 VanDerWaalsContact CB-CG2 3.42Å; L449-V455 HydrophobicContact CD1-CG2 4.25Å; L449-V455 HydrophobicContact CG-CG2 4.44Å; Q451-V455 PolarHBondContact O-N 2.9Å; E452-V455 PolarHBondContact O-N 2.85Å; V455-D457 VanDerWaalsContact C-N 3.35Å; V455-F458 PolarHBondContact O-N 2.88Å; V455-L459 HydrophobicContact CG1-CD1 3.65Å; V455-L459 HydrophobicContact CG1-CG 4.17Å; V455-L459 WeakPolarHBondContact O-CB 3.48Å; V455-L459 PolarHBondContact O-N 3.31Å; V455-M489 HydrophobicContact CB-SD 4.11Å; V455-M489 HydrophobicContact CG1-CG 4.47Å; V455-M489 HydrophobicContact CG2-CE 3.96Å; V455-M489 HydrophobicContact CG2-CG 3.88Å; V455-M489 HydrophobicContact CG2-SD 3.65Å; V455-V493 HydrophobicContact CB-CG2 4.38Å; V455-V493 HydrophobicContact CG1-CG2 3.26Å
456	E	91.3	Very high	90.9	Very high	44 Å²	44	50.6 Å²	50.6	21%	0.206	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-42.9	172.3	-179.8	157.8	-138.4	0	0	111.5	E452 L460 K461 F492 R496	E452-E456 WeakPolarHBondContact O-CB 3.15Å; E452-E456 PolarHBondContact O-N 3.46Å; E456-L460 HydrophobicContact CG-CD1 4.4Å; E456-L460 WeakPolarHBondContact O-CA 2.96Å; E456-L460 WeakPolarHBondContact O-CB 3.35Å; E456-L460 PolarHBondContact O-N 3.34Å; E456-K461 PolarHBondContact O-N 3.1Å; E456-F492 HydrophobicContact CB-CE1 4.27Å; E456-F492 HydrophobicContact CB-CZ 4.37Å; E456-R496 IonicContact OE1-CZ 3.68Å; E456-R496 IonicContact OE1-NH1 2.65Å; E456-R496 PolarHBondContact OE1-NH1 3.15Å; E456-R496 IonicContact OE2-CZ 3.57Å; E456-R496 IonicContact OE2-NH1 2.69Å; E456-R496 PolarHBondContact OE2-NH1 3.37Å
457	D	91.7	Very high	90.3	Very high	76 Å²	76	55.2 Å²	55.2	41%	0.406	30%	0.297	S	S	.	.	H	α-helix	trans	-65.6	-41.8	176.2	-85.6	30.8	0	0	0	113.3	D453 V455 K461	D453-D457 VanDerWaalsContact O-CB 3.29Å; D453-D457 WeakPolarHBondContact O-CB 3.46Å; D453-D457 PolarHBondContact O-N 3.04Å; V455-D457 VanDerWaalsContact C-N 3.35Å; D457-K461 HydrophobicContact CB-CD 4.25Å; D457-K461 WeakPolarHBondContact OD1-CE 3.38Å; D457-K461 IonicContact OD1-NZ 2.7Å; D457-K461 PolarHBondContact OD1-NZ 3.4Å; D457-K461 IonicContact OD2-NZ 2.73Å; D457-K461 PolarHBondContact OD2-NZ 3.2Å
458	F	92.4	Very high	89.5	Confident	78 Å²	78	55 Å²	55	34%	0.342	30%	0.3	S	S	.	.	H	α-helix	trans	-76.4	-42.4	-178.5	-176.2	-100.1	0	0	0	113.1	L447 L449 Q454 V455 I464	L447-F458 HydrophobicContact CD1-CD1 4.18Å; L447-F458 HydrophobicContact CD1-CE1 3.38Å; L447-F458 HydrophobicContact CD1-CE2 4.13Å; L447-F458 HydrophobicContact CD1-CZ 3.35Å; L449-F458 HydrophobicContact CD1-CB 4.09Å; L449-F458 HydrophobicContact CD1-CD1 3.87Å; L449-F458 HydrophobicContact CD1-CG 4.1Å; L449-F458 HydrophobicContact CD2-CB 4.36Å; Q454-F458 WeakPolarHBondContact O-CB 3.28Å; Q454-F458 PolarHBondContact O-N 2.62Å; V455-F458 PolarHBondContact O-N 2.88Å; F458-I464 HydrophobicContact CE1-CD1 3.89Å; F458-I464 HydrophobicContact CZ-CD1 4.18Å
459	L	91.2	Very high	88.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-93.1	-35.9	-173.2	-66.3	-177.3	0	0	0	114.1	I430 V455 P463 I464 I475 V493 Y508	I430-L459 HydrophobicContact CD1-CD1 3.86Å; I430-L459 HydrophobicContact CD1-CD2 4.38Å; I430-L459 HydrophobicContact CD1-CG 4.41Å; V455-L459 HydrophobicContact CG1-CD1 3.65Å; V455-L459 HydrophobicContact CG1-CG 4.17Å; V455-L459 WeakPolarHBondContact O-CB 3.48Å; V455-L459 PolarHBondContact O-N 3.31Å; L459-P463 WeakPolarHBondContact O-CA 3.34Å; L459-I464 HydrophobicContact CD2-CD1 4.32Å; L459-I475 HydrophobicContact CD1-CD1 3.76Å; L459-I475 HydrophobicContact CD2-CD1 3.8Å; L459-I475 HydrophobicContact CG-CD1 4.45Å; L459-V493 HydrophobicContact CD1-CG1 3.9Å; L459-V493 HydrophobicContact CD1-CG2 4.12Å; L459-Y508 HydrophobicContact CB-CE2 3.74Å; L459-Y508 HydrophobicContact CD2-CE2 4.39Å; L459-Y508 HydrophobicContact CG-CE2 4.48Å; L459-Y508 VanDerWaalsContact O-CE2 3.26Å; L459-Y508 WeakPolarHBondContact O-CE2 3.37Å; L459-Y508 PolarHBondContact O-OH 3.36Å
460	L	87.8	Confident	88.2	Confident	21 Å²	21	66.2 Å²	66.2	11%	0.11	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-26.7	-164.7	-59.6	175.2	0	0	0	114	E456 R496 D497 Y508	E456-L460 HydrophobicContact CG-CD1 4.4Å; E456-L460 WeakPolarHBondContact O-CA 2.96Å; E456-L460 WeakPolarHBondContact O-CB 3.35Å; E456-L460 PolarHBondContact O-N 3.34Å; L460-R496 HydrophobicContact CD1-CB 3.38Å; L460-D497 HydrophobicContact CD2-CB 4.14Å; L460-Y508 HydrophobicContact CD2-CD2 4.32Å; L460-Y508 HydrophobicContact CD2-CE2 4.07Å
461	K	87.4	Confident	88.1	Confident	140 Å²	140	66.9 Å²	66.9	61%	0.609	36%	0.364	S	S	*	.	S	Bend	trans	-69.2	-34.5	170.2	-70.7	-175.4	175.5	166.3	0	112.6	E456 D457	E456-K461 PolarHBondContact O-N 3.1Å; D457-K461 HydrophobicContact CB-CD 4.25Å; D457-K461 WeakPolarHBondContact OD1-CE 3.38Å; D457-K461 IonicContact OD1-NZ 2.7Å; D457-K461 PolarHBondContact OD1-NZ 3.4Å; D457-K461 IonicContact OD2-NZ 2.73Å; D457-K461 PolarHBondContact OD2-NZ 3.2Å
462	T	86.4	Confident	88	Confident	97 Å²	97	66.4 Å²	66.4	60%	0.595	36%	0.361	S	S	*	.	S	Bend	trans	-130.7	82.9	175.6	48.8	0	0	0	0	109.9	I464	T462-I464 PolarHBondContact O-N 3.26Å
463	P	86.8	Confident	88.2	Confident	49 Å²	49	65.2 Å²	65.2	32%	0.318	36%	0.356	S	S	.	.			trans	-56.2	128.2	-179.5	-27.3	36.5	0	0	0	112.6	L459 V465 H507	L459-P463 WeakPolarHBondContact O-CA 3.34Å; P463-V465 PolarHBondContact O-N 2.85Å; P463-H507 HydrophobicContact CB-CB 4.34Å
464	I	87.8	Confident	88.4	Confident	38 Å²	38	62.6 Å²	62.6	20%	0.195	34%	0.342	C	S	.	.			trans	-83.5	103	-178.2	-59.7	169.8	0	0	0	108	Q426 I428 F458 L459 T462 V473 Y508	Q426-I464 VanDerWaalsContact OE1-CG2 3.23Å; I428-I464 HydrophobicContact CD1-CD1 3.55Å; I428-I464 HydrophobicContact CD1-CG2 4.35Å; F458-I464 HydrophobicContact CE1-CD1 3.89Å; F458-I464 HydrophobicContact CZ-CD1 4.18Å; L459-I464 HydrophobicContact CD2-CD1 4.32Å; T462-I464 PolarHBondContact O-N 3.26Å; I464-V473 HydrophobicContact CG2-CG2 4.31Å; I464-Y508 HydrophobicContact CB-CE1 4.25Å; I464-Y508 PolarHBondContact N-OH 3.23Å
465	V	84.8	Confident	88.6	Confident	119 Å²	119	59.5 Å²	59.5	72%	0.721	33%	0.327	S	S	*	.			trans	-90.2	133.4	179.8	-176.1	0	0	0	0	109.2	P463	P463-V465 PolarHBondContact O-N 2.85Å
466	P	86.2	Confident	88.9	Confident	37 Å²	37	59.5 Å²	59.5	24%	0.24	33%	0.327	C	S	.	.			trans	-65.9	147.1	176.7	27.6	-33.9	0	0	0	111.5	D425 C468 V473	D425-P466 HydrophobicContact CB-CB 3.97Å; P466-C468 PolarHBondContact O-N 3.03Å; P466-V473 HydrophobicContact CB-CG2 4.02Å; P466-V473 HydrophobicContact CG-CG2 4.41Å
467	S	83.9	Confident	89.2	Confident	105 Å²	105	57.4 Å²	57.4	73%	0.734	32%	0.318	S	S	*	.	S	Bend	trans	-62	-28.2	-178.6	-42.1	0	0	0	0	112.9	D425	D425-S467 WeakPolarHBondContact OD2-CB 3.46Å; D425-S467 PolarHBondContact OD2-N 3.48Å; D425-S467 PolarHBondContact OD2-OG 3.11Å
468	C	81.2	Confident	89.5	Confident	58 Å²	58	53.8 Å²	53.8	39%	0.392	30%	0.298	S	S	.	.	S	Bend	trans	-127.9	132.4	177.7	-63.2	0	0	0	0	110.2	P466 E470 K471	P466-C468 PolarHBondContact O-N 3.03Å; C468-E470 PolarHBondContact O-N 3.13Å; C468-K471 HydrophobicContact CB-CD 4.41Å; C468-K471 HydrophobicContact CB-CG 4.38Å; C468-K471 PolarHBondContact O-N 3.22Å
469	P	80.1	Confident	89.7	Confident	122 Å²	122	50.2 Å²	50.2	79%	0.792	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.9	-175.5	29.5	-36.7	0	0	0	114.5
470	E	84.1	Confident	90	Very high	169 Å²	169	50.5 Å²	50.5	79%	0.79	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-42.1	175.1	-63.2	175.8	165.3	0	0	110.9	K390 C468	K390-E470 PolarHBondContact NZ-O 3.47Å; C468-E470 PolarHBondContact O-N 3.13Å
471	K	90.1	Very high	90.4	Very high	53 Å²	53	54 Å²	54	23%	0.23	30%	0.298	C	S	.	.	S	Bend	trans	-75	178.2	177.7	-67.2	-175.2	166.6	-153.2	0	112.4	D421 L423 V424 D425 C468	D421-K471 WeakPolarHBondContact O-CE 3.17Å; D421-K471 PolarHBondContact O-NZ 2.65Å; L423-K471 CarbonylContact O-C 3.49Å; L423-K471 VanDerWaalsContact O-CA 3.28Å; L423-K471 WeakPolarHBondContact O-CA 3.48Å; V424-K471 PolarHBondContact O-NZ 3.18Å; D425-K471 HydrophobicContact CB-CB 3.89Å; D425-K471 HydrophobicContact CB-CD 3.66Å; D425-K471 HydrophobicContact CB-CG 4.5Å; D425-K471 WeakPolarHBondContact OD1-CD 3.42Å; D425-K471 WeakPolarHBondContact OD1-CE 3.42Å; D425-K471 IonicContact OD1-NZ 3.25Å; D425-K471 PolarHBondContact OD1-NZ 3.34Å; C468-K471 HydrophobicContact CB-CD 4.41Å; C468-K471 HydrophobicContact CB-CG 4.38Å; C468-K471 PolarHBondContact O-N 3.22Å
472	R	90.6	Very high	90.8	Very high	32 Å²	32	47.3 Å²	47.3	12%	0.121	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.3	-175	-45.9	-175.1	-159.5	-169.9	10.3	112.3	P391 L423 V424 D425 E510	P391-R472 VanDerWaalsContact O-CZ 3.29Å; P391-R472 PolarHBondContact O-NH1 3.42Å; P391-R472 PolarHBondContact O-NH2 3.2Å; L423-R472 PolarHBondContact O-N 3.29Å; L423-R472 VanDerWaalsContact O-N 3.09Å; V424-R472 WeakPolarHBondContact CA-O 3.4Å; D425-R472 PolarHBondContact N-O 3.03Å; R472-E510 WeakPolarHBondContact CD-OE2 3.18Å; R472-E510 IonicContact CZ-OE2 3.33Å; R472-E510 IonicContact NE-OE2 2.7Å; R472-E510 IonicContact NH1-OE1 3.43Å; R472-E510 IonicContact NH1-OE2 3.48Å; R472-E510 PolarHBondContact NH1-OE2 2.95Å
473	V	93.8	Very high	91	Very high	11 Å²	11	44 Å²	44	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.9	161.8	179.8	0	0	0	0	107.7	I428 I464 P466 Y508	I428-V473 HydrophobicContact CD1-CG1 3.63Å; I428-V473 HydrophobicContact CG1-CG1 4.12Å; I464-V473 HydrophobicContact CG2-CG2 4.31Å; P466-V473 HydrophobicContact CB-CG2 4.02Å; P466-V473 HydrophobicContact CG-CG2 4.41Å; V473-Y508 HydrophobicContact CG1-CD1 4.4Å; V473-Y508 HydrophobicContact CG1-CE1 4.33Å
474	V	94.9	Very high	91.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129	-178.5	175.6	0	0	0	0	109	L394 V424 Q426 V427 I428 E510 Y512	L394-V474 HydrophobicContact CD1-CG1 4.19Å; V424-V474 HydrophobicContact CG1-CB 4.23Å; V424-V474 HydrophobicContact CG1-CG2 3.93Å; V424-V474 HydrophobicContact CG2-CG2 3.82Å; Q426-V474 PolarHBondContact O-N 3.42Å; V427-V474 WeakPolarHBondContact CA-O 3.4Å; I428-V474 PolarHBondContact N-O 3.18Å; V474-E510 HydrophobicContact CG2-CG 4.21Å; V474-Y512 HydrophobicContact CG1-CD2 3.53Å; V474-Y512 HydrophobicContact CG1-CE2 3.59Å
475	I	96.6	Very high	91.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129	178.3	-51.8	-171	0	0	0	110.4	I428 I430 L459 F477 Y508 E510 L511 Y512	I428-I475 HydrophobicContact CB-CG1 4.25Å; I428-I475 HydrophobicContact CD1-CG1 4.46Å; I428-I475 CarbonylContact O-C 3.28Å; I428-I475 WeakPolarHBondContact O-CA 3.4Å; I430-I475 HydrophobicContact CD1-CG2 3.59Å; I430-I475 HydrophobicContact CG1-CG2 4.03Å; L459-I475 HydrophobicContact CD1-CD1 3.76Å; L459-I475 HydrophobicContact CD2-CD1 3.8Å; L459-I475 HydrophobicContact CG-CD1 4.45Å; I475-F477 HydrophobicContact CB-CE2 4.42Å; I475-F477 HydrophobicContact CG2-CD2 4.15Å; I475-F477 HydrophobicContact CG2-CE1 4.39Å; I475-F477 HydrophobicContact CG2-CE2 3.69Å; I475-F477 HydrophobicContact CG2-CZ 3.81Å; I475-Y508 HydrophobicContact CD1-CD1 3.51Å; I475-Y508 HydrophobicContact CD1-CD2 4.27Å; I475-Y508 HydrophobicContact CD1-CE1 3.96Å; I475-Y508 HydrophobicContact CD1-CG 3.66Å; I475-Y508 HydrophobicContact CG1-CD1 4.17Å; I475-E510 PolarHBondContact N-O 3.25Å; I475-L511 HydrophobicContact CB-CD2 3.74Å; I475-L511 HydrophobicContact CD1-CD2 4.08Å; I475-L511 HydrophobicContact CG1-CD2 4.09Å; I475-L511 WeakPolarHBondContact O-CA 3.11Å; I475-Y512 PolarHBondContact O-N 3.43Å
476	V	97.7	Very high	92.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	114.6	173.1	-172.1	0	0	0	0	109.4	I407 M412 V427 I428 I430 L514	I407-V476 HydrophobicContact CD1-CG1 3.81Å; I407-V476 HydrophobicContact CD1-CG2 3.82Å; I407-V476 HydrophobicContact CG1-CG1 4.33Å; M412-V476 HydrophobicContact CE-CB 4.5Å; M412-V476 HydrophobicContact SD-CB 4.19Å; M412-V476 HydrophobicContact SD-CG1 3.86Å; M412-V476 HydrophobicContact SD-CG2 4.08Å; V427-V476 HydrophobicContact CG1-CG2 4.43Å; I428-V476 PolarHBondContact O-N 2.87Å; I430-V476 PolarHBondContact N-O 3.33Å; V476-L514 HydrophobicContact CG1-CB 4.2Å
477	F	98.1	Very high	92.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	143.1	170.9	-63.7	-86.9	0	0	0	111	I430 I475 M489 C490 V493 L511 Y512 I513 L514	I430-F477 HydrophobicContact CB-CD1 3.85Å; I430-F477 HydrophobicContact CB-CE1 4.1Å; I430-F477 HydrophobicContact CD1-CD1 4.34Å; I430-F477 HydrophobicContact CD1-CE1 3.72Å; I430-F477 HydrophobicContact CD1-CZ 4.13Å; I430-F477 HydrophobicContact CG1-CE1 4.45Å; I430-F477 HydrophobicContact CG2-CD1 3.91Å; I430-F477 HydrophobicContact CG2-CE1 4.05Å; I475-F477 HydrophobicContact CB-CE2 4.42Å; I475-F477 HydrophobicContact CG2-CD2 4.15Å; I475-F477 HydrophobicContact CG2-CE1 4.39Å; I475-F477 HydrophobicContact CG2-CE2 3.69Å; I475-F477 HydrophobicContact CG2-CZ 3.81Å; F477-M489 HydrophobicContact CD1-CB 4.24Å; F477-M489 HydrophobicContact CD1-CG 4.21Å; F477-M489 HydrophobicContact CE1-CB 4.43Å; F477-M489 HydrophobicContact CE1-CG 4.01Å; F477-C490 HydrophobicContact CB-CB 4.39Å; F477-C490 HydrophobicContact CD2-CB 3.56Å; F477-C490 HydrophobicContact CE2-CB 3.94Å; F477-C490 HydrophobicContact CG-CB 3.98Å; F477-V493 HydrophobicContact CE1-CG2 4.13Å; F477-V493 HydrophobicContact CZ-CB 4.04Å; F477-V493 HydrophobicContact CZ-CG1 4.29Å; F477-V493 HydrophobicContact CZ-CG2 3.8Å; F477-L511 HydrophobicContact CE2-CB 4.46Å; F477-L511 HydrophobicContact CE2-CD1 4.43Å; F477-L511 HydrophobicContact CE2-CD2 4.12Å; F477-Y512 PolarHBondContact N-O 2.93Å; F477-I513 VanDerWaalsContact O-CA 3.31Å; F477-I513 WeakPolarHBondContact O-CA 3.36Å; F477-L514 PolarHBondContact O-N 2.94Å
478	H	98	Very high	93.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	169.4	165.9	73.7	97.5	0	0	0	111.9	I430 D431 C432 S482 L514	I430-H478 PolarHBondContact O-N 3.46Å; D431-H478 IonicContact OD1-CE1 3.25Å; D431-H478 IonicContact OD1-ND1 2.77Å; D431-H478 IonicContact OD2-CE1 3.52Å; D431-H478 PolarHBondContact OD2-CE1 3Å; D431-H478 IonicContact OD2-NE2 2.95Å; C432-H478 VanDerWaalsContact CB-O 3.28Å; C432-H478 WeakPolarHBondContact CB-O 3.4Å; C432-H478 PolarHBondContact N-O 2.94Å; H478-S482 WeakPolarHBondContact CA-OG 3.19Å; H478-L514 HydrophobicContact CB-CB 3.7Å; H478-L514 HydrophobicContact CB-CD2 4.12Å
479	C	96.9	Very high	93.7	Very high	2 Å²	2	40 Å²	40	1%	0.014	19%	0.19	C	C	.	.			trans	-137.5	-145.9	156.8	65.8	0	0	0	0	108.9	C432 R433 S482 R485 G517 Y518	C432-C479 HydrophobicContact CB-CB 4.32Å; R433-C479 HydrophobicContact CG-CB 3.99Å; C479-S482 PolarHBondContact N-OG 2.88Å; C479-S482 VanDerWaalsContact SG-CA 3.55Å; C479-S482 PolarHBondContact SG-N 3.27Å; C479-R485 HydrophobicContact CB-CB 3.85Å; C479-G517 CarbonylContact O-C 3.46Å; C479-G517 WeakPolarHBondContact O-CA 3.45Å; C479-Y518 PolarHBondContact O-N 2.86Å
480	E	97.3	Very high	94.5	Very high	7 Å²	7	34.6 Å²	34.6	3%	0.033	16%	0.155	C	C	.	.	S	Bend	trans	-62.6	-51.7	175.7	-173.1	179.8	-157.5	0	0	111.9	R433 R485 G517 Y518 K519 Y534 P536 M537	R433-E480 HydrophobicContact CG-CB 4.3Å; E480-R485 IonicContact OE2-NH2 3.81Å; E480-R485 PolarHBondContact OE2-NH2 2.97Å; E480-R485 VanDerWaalsContact OE2-NH2 3.14Å; E480-G517 CarbonylContact O-C 3.51Å; E480-Y518 PolarHBondContact O-N 3.26Å; E480-K519 VanDerWaalsContact O-CB 3.27Å; E480-K519 WeakPolarHBondContact O-CB 3.27Å; E480-K519 PolarHBondContact O-N 2.94Å; E480-Y534 HydrophobicContact CG-CE2 4.24Å; E480-Y534 WeakPolarHBondContact CG-OH 3.08Å; E480-Y534 PolarHBondContact OE1-OH 2.84Å; E480-P536 WeakPolarHBondContact OE1-CA 3.02Å; E480-P536 VanDerWaalsContact OE1-CB 3.29Å; E480-P536 WeakPolarHBondContact OE1-CB 3.38Å; E480-M537 PolarHBondContact OE1-N 3.18Å; E480-M537 WeakPolarHBondContact OE2-CB 3.29Å
481	F	95.6	Very high	95	Very high	93 Å²	93	30.9 Å²	30.9	41%	0.408	13%	0.133	S	C	.	.	S	Bend	trans	-115.9	-9.3	-179.9	-55.3	-87.3	0	0	0	114.1	S483 G516 K519	F481-S483 PolarHBondContact O-N 2.85Å; F481-G516 WeakPolarHBondContact CA-O 3.45Å; F481-G516 CarbonylContact O-C 3.49Å; F481-K519 HydrophobicContact CD1-CD 3.82Å; F481-K519 HydrophobicContact CE1-CD 3.35Å; F481-K519 HydrophobicContact CZ-CD 4.17Å
482	S	95.9	Very high	95.3	Very high	1 Å²	1	29 Å²	29	1%	0.007	13%	0.125	C	C	.	.	S	Bend	trans	54.5	30.8	-169.5	-62.7	0	0	0	0	115.4	H478 C479 P487 L514 G517	H478-S482 WeakPolarHBondContact CA-OG 3.19Å; C479-S482 PolarHBondContact N-OG 2.88Å; C479-S482 VanDerWaalsContact SG-CA 3.55Å; C479-S482 PolarHBondContact SG-N 3.27Å; S482-P487 WeakPolarHBondContact O-CD 3.46Å; S482-P487 WeakPolarHBondContact O-CG 3.39Å; S482-L514 WeakPolarHBondContact CB-O 3.48Å; S482-L514 PolarHBondContact OG-O 3.28Å; S482-G517 VanDerWaalsContact OG-CA 3.27Å; S482-G517 WeakPolarHBondContact OG-CA 3.27Å
483	S	91.9	Very high	95.5	Very high	27 Å²	27	27.5 Å²	27.5	19%	0.189	12%	0.12	C	C	.	.	S	Bend	trans	-85.8	-46.4	180	60.5	0	0	0	0	114.2	H401 F481	H401-S483 PolarHBondContact NE2-O 2.86Å; F481-S483 PolarHBondContact O-N 2.85Å
484	E	92.2	Very high	95.5	Very high	114 Å²	114	30 Å²	30	53%	0.533	13%	0.128	S	C	.	.	S	Bend	trans	-126.6	-62.8	-178.7	-64.6	103.5	-122.7	0	0	113.1	K400 G486 P487 R488	K400-E484 IonicContact NZ-OE1 2.68Å; E484-G486 PolarHBondContact O-N 3.23Å; E484-P487 WeakPolarHBondContact O-CD 3.49Å; E484-R488 WeakPolarHBondContact O-CB 3.43Å; E484-R488 PolarHBondContact O-N 3Å
485	R	94.5	Very high	95.5	Very high	48 Å²	48	36.2 Å²	36.2	18%	0.181	16%	0.157	C	C	.	.	H	α-helix	trans	-55.9	-49.9	-168.9	-60.5	-176.2	-86	162.5	0.7	112.9	C432 E437 C479 E480 M489 M537	C432-R485 HydrophobicContact CB-CB 4.43Å; E437-R485 IonicContact OE1-CZ 3.22Å; E437-R485 IonicContact OE1-NH1 2.95Å; E437-R485 PolarHBondContact OE1-NH1 2.7Å; E437-R485 IonicContact OE1-NH2 2.66Å; E437-R485 IonicContact OE2-CZ 3.68Å; E437-R485 IonicContact OE2-NH1 3.58Å; E437-R485 PolarHBondContact OE2-NH1 2.93Å; E437-R485 IonicContact OE2-NH2 2.87Å; E437-R485 PolarHBondContact OE2-NH2 3.33Å; C479-R485 HydrophobicContact CB-CB 3.85Å; E480-R485 IonicContact OE2-NH2 3.81Å; E480-R485 PolarHBondContact OE2-NH2 2.97Å; E480-R485 VanDerWaalsContact OE2-NH2 3.14Å; R485-M489 PolarHBondContact O-N 3.27Å; R485-M489 VanDerWaalsContact O-N 3.12Å; R485-M537 PolarHBondContact NH2-SD 2.99Å; R485-M537 VanDerWaalsContact NH2-SD 3.43Å
486	G	95.5	Very high	95.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.3	-55.2	174.5	0	0	0	0	0	113.8	E484 R488 M489 C490	E484-G486 PolarHBondContact O-N 3.23Å; G486-R488 VanDerWaalsContact C-N 3.33Å; G486-R488 PolarHBondContact O-N 2.89Å; G486-M489 PolarHBondContact O-N 2.9Å; G486-M489 VanDerWaalsContact O-N 3.13Å; G486-C490 PolarHBondContact O-N 2.95Å
487	P	95.6	Very high	95.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-52.3	-41.9	173.9	-31.8	36.1	0	0	0	115.5	L404 S482 E484 R491 I513	L404-P487 HydrophobicContact CD1-CB 3.8Å; S482-P487 WeakPolarHBondContact O-CD 3.46Å; S482-P487 WeakPolarHBondContact O-CG 3.39Å; E484-P487 WeakPolarHBondContact O-CD 3.49Å; P487-R491 WeakPolarHBondContact O-CG 3.28Å; P487-R491 PolarHBondContact O-N 3.35Å; P487-R491 VanDerWaalsContact O-N 3.08Å; P487-I513 HydrophobicContact CB-CD1 4.07Å; P487-I513 HydrophobicContact CG-CD1 3.88Å
488	R	94.8	Very high	95.1	Very high	148 Å²	148	43 Å²	43	56%	0.558	18%	0.182	S	C	*	.	H	α-helix	trans	-61	-48.3	174.7	173.9	177.7	167.5	157.6	-2.2	111	E452 E484 G486 R491 F492	E452-R488 IonicContact OE1-CZ 3.14Å; E452-R488 VanDerWaalsContact OE1-CZ 3.25Å; E452-R488 IonicContact OE1-NE 2.76Å; E452-R488 PolarHBondContact OE1-NE 3.21Å; E452-R488 IonicContact OE1-NH2 2.7Å; E452-R488 PolarHBondContact OE1-NH2 2.94Å; E484-R488 WeakPolarHBondContact O-CB 3.43Å; E484-R488 PolarHBondContact O-N 3Å; G486-R488 VanDerWaalsContact C-N 3.33Å; G486-R488 PolarHBondContact O-N 2.89Å; R488-R491 PolarHBondContact O-N 3.38Å; R488-F492 WeakPolarHBondContact O-CB 3.35Å; R488-F492 PolarHBondContact O-N 3.32Å
489	M	94.8	Very high	94.9	Very high	12 Å²	12	46.7 Å²	46.7	6%	0.059	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-40.6	-179.2	-161.7	63.5	81.3	0	0	112.1	E452 V455 F477 R485 G486 R491 F492 V493	E452-M489 HydrophobicContact CG-CE 4.13Å; E452-M489 HydrophobicContact CG-SD 3.93Å; V455-M489 HydrophobicContact CB-SD 4.11Å; V455-M489 HydrophobicContact CG1-CG 4.47Å; V455-M489 HydrophobicContact CG2-CE 3.96Å; V455-M489 HydrophobicContact CG2-CG 3.88Å; V455-M489 HydrophobicContact CG2-SD 3.65Å; F477-M489 HydrophobicContact CD1-CB 4.24Å; F477-M489 HydrophobicContact CD1-CG 4.21Å; F477-M489 HydrophobicContact CE1-CB 4.43Å; F477-M489 HydrophobicContact CE1-CG 4.01Å; R485-M489 PolarHBondContact O-N 3.27Å; R485-M489 VanDerWaalsContact O-N 3.12Å; G486-M489 PolarHBondContact O-N 2.9Å; G486-M489 VanDerWaalsContact O-N 3.13Å; M489-R491 PolarHBondContact O-N 3.21Å; M489-F492 PolarHBondContact O-N 2.88Å; M489-F492 HydrophobicContact SD-CD1 4Å; M489-V493 WeakPolarHBondContact O-CG2 3.48Å; M489-V493 PolarHBondContact O-N 3.22Å
490	C	95.8	Very high	94.7	Very high	7 Å²	7	51.1 Å²	51.1	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-45.3	174.8	-175.7	0	0	0	0	112	F477 G486 R494 I513	F477-C490 HydrophobicContact CB-CB 4.39Å; F477-C490 HydrophobicContact CD2-CB 3.56Å; F477-C490 HydrophobicContact CE2-CB 3.94Å; F477-C490 HydrophobicContact CG-CB 3.98Å; G486-C490 PolarHBondContact O-N 2.95Å; C490-R494 PolarHBondContact O-N 3.34Å; C490-R494 VanDerWaalsContact O-N 3.11Å; C490-I513 HydrophobicContact CB-CD1 4.12Å; C490-I513 HydrophobicContact CB-CG1 4.41Å
491	R	95.3	Very high	94.5	Very high	91 Å²	91	52.5 Å²	52.5	34%	0.343	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-44.1	174.9	-70.7	-175.3	-175.1	121	-6.3	112.2	H401 D403 L404 P487 R488 M489 V493 R494 E495	H401-R491 VanDerWaalsContact CG-NH2 3.31Å; H401-R491 PolarHBondContact ND1-NH1 2.87Å; H401-R491 PolarHBondContact ND1-NH2 2.72Å; D403-R491 IonicContact OD1-CZ 3.85Å; D403-R491 IonicContact OD1-NH2 2.76Å; D403-R491 PolarHBondContact OD1-NH2 3.39Å; D403-R491 IonicContact OD2-CZ 3.24Å; D403-R491 VanDerWaalsContact OD2-CZ 3.24Å; D403-R491 IonicContact OD2-NE 2.82Å; D403-R491 PolarHBondContact OD2-NE 3.39Å; D403-R491 IonicContact OD2-NH2 2.84Å; D403-R491 PolarHBondContact OD2-NH2 3.43Å; L404-R491 HydrophobicContact CD1-CG 4.26Å; L404-R491 HydrophobicContact CD2-CG 4.04Å; P487-R491 WeakPolarHBondContact O-CG 3.28Å; P487-R491 PolarHBondContact O-N 3.35Å; P487-R491 VanDerWaalsContact O-N 3.08Å; R488-R491 PolarHBondContact O-N 3.38Å; M489-R491 PolarHBondContact O-N 3.21Å; R491-V493 PolarHBondContact O-N 3.26Å; R491-R494 PolarHBondContact O-N 3.27Å; R491-E495 WeakPolarHBondContact O-CB 3.43Å; R491-E495 PolarHBondContact O-N 3.07Å
492	F	94.9	Very high	94.5	Very high	13 Å²	13	53.6 Å²	53.6	6%	0.057	26%	0.262	C	S	.	.	H	α-helix	trans	-58	-46.3	176.6	170.4	-99.6	0	0	0	112.3	E452 E456 R488 M489 R494 E495 R496 R560	E452-F492 HydrophobicContact CB-CD1 3.98Å; E452-F492 HydrophobicContact CB-CD2 4.36Å; E452-F492 HydrophobicContact CB-CE1 3.68Å; E452-F492 HydrophobicContact CB-CE2 4.07Å; E452-F492 HydrophobicContact CB-CG 4.32Å; E452-F492 HydrophobicContact CB-CZ 3.73Å; E452-F492 HydrophobicContact CG-CD1 4Å; E452-F492 HydrophobicContact CG-CD2 4.2Å; E452-F492 HydrophobicContact CG-CE1 4.23Å; E452-F492 HydrophobicContact CG-CE2 4.41Å; E452-F492 HydrophobicContact CG-CG 4Å; E452-F492 HydrophobicContact CG-CZ 4.43Å; E452-F492 VanDerWaalsContact O-CE1 3.3Å; E452-F492 WeakPolarHBondContact O-CE1 3.31Å; E456-F492 HydrophobicContact CB-CE1 4.27Å; E456-F492 HydrophobicContact CB-CZ 4.37Å; R488-F492 WeakPolarHBondContact O-CB 3.35Å; R488-F492 PolarHBondContact O-N 3.32Å; M489-F492 PolarHBondContact O-N 2.88Å; M489-F492 HydrophobicContact SD-CD1 4Å; F492-R494 PolarHBondContact O-N 3.29Å; F492-E495 PolarHBondContact O-N 3.43Å; F492-R496 HydrophobicContact CD2-CG 4.21Å; F492-R496 HydrophobicContact CE1-CG 4.19Å; F492-R496 HydrophobicContact CE2-CG 3.64Å; F492-R496 HydrophobicContact CZ-CG 3.62Å; F492-R496 PolarHBondContact O-N 2.87Å; F492-R560 VanDerWaalsContact CE2-NH1 3.34Å
493	V	94.9	Very high	94.4	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-44.6	177.1	171.7	0	0	0	0	111.2	V455 L459 F477 M489 R491 E495 R496 D497	V455-V493 HydrophobicContact CB-CG2 4.38Å; V455-V493 HydrophobicContact CG1-CG2 3.26Å; L459-V493 HydrophobicContact CD1-CG1 3.9Å; L459-V493 HydrophobicContact CD1-CG2 4.12Å; F477-V493 HydrophobicContact CE1-CG2 4.13Å; F477-V493 HydrophobicContact CZ-CB 4.04Å; F477-V493 HydrophobicContact CZ-CG1 4.29Å; F477-V493 HydrophobicContact CZ-CG2 3.8Å; M489-V493 WeakPolarHBondContact O-CG2 3.48Å; M489-V493 PolarHBondContact O-N 3.22Å; R491-V493 PolarHBondContact O-N 3.26Å; V493-E495 VanDerWaalsContact C-N 3.33Å; V493-E495 PolarHBondContact O-N 3.33Å; V493-R496 PolarHBondContact O-N 2.91Å; V493-D497 VanDerWaalsContact O-CB 3.29Å; V493-D497 WeakPolarHBondContact O-CB 3.21Å; V493-D497 PolarHBondContact O-N 2.81Å
494	R	95.2	Very high	94.4	Very high	64 Å²	64	62 Å²	62	24%	0.242	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-36.8	177.7	-179.7	52.5	58.1	80.6	-12.1	112.4	C490 R491 F492 R498 Y508 P509 L511	C490-R494 PolarHBondContact O-N 3.34Å; C490-R494 VanDerWaalsContact O-N 3.11Å; R491-R494 PolarHBondContact O-N 3.27Å; F492-R494 PolarHBondContact O-N 3.29Å; R494-R498 WeakPolarHBondContact O-CB 3.3Å; R494-R498 VanDerWaalsContact O-CG 3.23Å; R494-R498 WeakPolarHBondContact O-CG 3.28Å; R494-R498 PolarHBondContact O-N 2.92Å; R494-R498 VanDerWaalsContact O-N 3.1Å; R494-Y508 PolarHBondContact NH2-O 3.33Å; R494-P509 PolarHBondContact NH2-O 3.2Å; R494-L511 HydrophobicContact CB-CD1 4.12Å
495	E	94.8	Very high	94.5	Very high	131 Å²	131	61.1 Å²	61.1	61%	0.612	30%	0.296	S	S	*	.	H	α-helix	trans	-64.7	-46	174.4	-176.2	179.4	-163.7	0	0	111.6	R491 F492 V493 R498 A499	R491-E495 WeakPolarHBondContact O-CB 3.43Å; R491-E495 PolarHBondContact O-N 3.07Å; F492-E495 PolarHBondContact O-N 3.43Å; V493-E495 VanDerWaalsContact C-N 3.33Å; V493-E495 PolarHBondContact O-N 3.33Å; E495-R498 CarbonylContact O-C 3.52Å; E495-R498 WeakPolarHBondContact O-CB 3.4Å; E495-R498 PolarHBondContact O-N 2.86Å; E495-A499 WeakPolarHBondContact O-CB 3.49Å; E495-A499 PolarHBondContact O-N 3.47Å
496	R	94.1	Very high	94.5	Very high	71 Å²	71	59.7 Å²	59.7	27%	0.268	29%	0.292	S	S	.	.	H	α-helix	trans	-71.9	-38.6	-179.9	-67.4	-60	-176.6	97.4	8.2	113.4	E456 L460 F492 V493 R498 A499 V500	E456-R496 IonicContact OE1-CZ 3.68Å; E456-R496 IonicContact OE1-NH1 2.65Å; E456-R496 PolarHBondContact OE1-NH1 3.15Å; E456-R496 IonicContact OE2-CZ 3.57Å; E456-R496 IonicContact OE2-NH1 2.69Å; E456-R496 PolarHBondContact OE2-NH1 3.37Å; L460-R496 HydrophobicContact CD1-CB 3.38Å; F492-R496 HydrophobicContact CD2-CG 4.21Å; F492-R496 HydrophobicContact CE1-CG 4.19Å; F492-R496 HydrophobicContact CE2-CG 3.64Å; F492-R496 HydrophobicContact CZ-CG 3.62Å; F492-R496 PolarHBondContact O-N 2.87Å; V493-R496 PolarHBondContact O-N 2.91Å; R496-R498 VanDerWaalsContact C-N 3.29Å; R496-R498 PolarHBondContact O-N 3.4Å; R496-A499 PolarHBondContact O-N 3.13Å; R496-V500 WeakPolarHBondContact O-CG2 3.21Å; R496-V500 PolarHBondContact O-N 3.03Å
497	D	95	Very high	94.4	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.6	-43	171	-169.3	-0.8	0	0	0	110.6	L460 V493 A499 V500 N501 L506 H507 Y508	L460-D497 HydrophobicContact CD2-CB 4.14Å; V493-D497 VanDerWaalsContact O-CB 3.29Å; V493-D497 WeakPolarHBondContact O-CB 3.21Å; V493-D497 PolarHBondContact O-N 2.81Å; D497-A499 VanDerWaalsContact C-N 3.34Å; D497-A499 PolarHBondContact O-N 2.88Å; D497-V500 PolarHBondContact O-N 2.85Å; D497-N501 WeakPolarHBondContact O-CB 3.31Å; D497-N501 PolarHBondContact O-N 2.69Å; D497-N501 PolarHBondContact OD1-ND2 2.96Å; D497-L506 HydrophobicContact CB-CD2 4.02Å; D497-L506 WeakPolarHBondContact OD1-CA 3.17Å; D497-L506 WeakPolarHBondContact OD2-CB 3.37Å; D497-H507 IonicContact OD1-CD2 3.78Å; D497-H507 IonicContact OD1-CG 3.95Å; D497-H507 PolarHBondContact OD1-N 2.96Å; D497-H507 PolarHBondContact OD2-N 3.28Å; D497-H507 VanDerWaalsContact OD2-N 3.09Å; D497-Y508 PolarHBondContact OD2-N 3.42Å
498	R	95.1	Very high	94.3	Very high	71 Å²	71	62.9 Å²	62.9	27%	0.268	31%	0.306	S	S	.	.	H	α-helix	trans	-66.6	-26.2	172.1	-77.4	-65.7	-165.3	-138.2	-0.2	115.1	G386 R494 E495 R496 P504 N505 L506	G386-R498 PolarHBondContact O-NH2 3.16Å; R494-R498 WeakPolarHBondContact O-CB 3.3Å; R494-R498 VanDerWaalsContact O-CG 3.23Å; R494-R498 WeakPolarHBondContact O-CG 3.28Å; R494-R498 PolarHBondContact O-N 2.92Å; R494-R498 VanDerWaalsContact O-N 3.1Å; E495-R498 CarbonylContact O-C 3.52Å; E495-R498 WeakPolarHBondContact O-CB 3.4Å; E495-R498 PolarHBondContact O-N 2.86Å; R496-R498 VanDerWaalsContact C-N 3.29Å; R496-R498 PolarHBondContact O-N 3.4Å; R498-P504 PolarHBondContact NH1-O 2.86Å; R498-N505 PolarHBondContact NH1-O 3.17Å; R498-L506 HydrophobicContact CG-CD2 3.91Å; R498-L506 VanDerWaalsContact NH1-CG 3.32Å
499	A	93.6	Very high	94.3	Very high	79 Å²	79	56.7 Å²	56.7	65%	0.653	29%	0.286	S	S	*	.	H	α-helix	trans	-79.4	-26.4	177.2	0	0	0	0	0	112.5	E495 R496 D497	E495-A499 WeakPolarHBondContact O-CB 3.49Å; E495-A499 PolarHBondContact O-N 3.47Å; R496-A499 PolarHBondContact O-N 3.13Å; D497-A499 VanDerWaalsContact C-N 3.34Å; D497-A499 PolarHBondContact O-N 2.88Å
500	V	91.9	Very high	94.3	Very high	94 Å²	94	56.2 Å²	56.2	57%	0.57	28%	0.283	S	S	*	.	H	α-helix	trans	-87.8	-40.2	176.2	176	0	0	0	0	111.7	R496 D497	R496-V500 WeakPolarHBondContact O-CG2 3.21Å; R496-V500 PolarHBondContact O-N 3.03Å; D497-V500 PolarHBondContact O-N 2.85Å
501	N	92.9	Very high	94.3	Very high	36 Å²	36	56.4 Å²	56.4	19%	0.193	28%	0.284	C	S	.	.	S	Bend	trans	-93.5	146.6	-174.1	-81	-66.1	0	0	0	114.8	D497 Y503 N505 H507	D497-N501 WeakPolarHBondContact O-CB 3.31Å; D497-N501 PolarHBondContact O-N 2.69Å; D497-N501 PolarHBondContact OD1-ND2 2.96Å; N501-Y503 PolarHBondContact O-N 3.49Å; N501-N505 HydrophobicContact CB-CB 4.48Å; N501-N505 WeakPolarHBondContact CB-O 3.39Å; N501-H507 PolarHBondContact ND2-CD2 3.34Å; N501-H507 PolarHBondContact ND2-CE1 3.18Å; N501-H507 PolarHBondContact ND2-NE2 3.07Å; N501-H507 VanDerWaalsContact ND2-NE2 3.11Å
502	V	95.5	Very high	94.4	Very high	117 Å²	117	52.1 Å²	52.1	71%	0.709	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-74.4	118.5	171	-179.3	0	0	0	0	109.5	N505	V502-N505 VanDerWaalsContact O-CB 3.28Å; V502-N505 WeakPolarHBondContact O-CB 3.39Å; V502-N505 PolarHBondContact O-N 3.14Å
503	Y	93.8	Very high	94.5	Very high	154 Å²	154	51.5 Å²	51.5	60%	0.604	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	135.3	177.1	-179.7	-85.8	0	0	0	112.1	F388 N501	F388-Y503 HydrophobicContact CE2-CE2 4.24Å; F388-Y503 AromaticContact CE2-CZ 3.96Å; F388-Y503 WeakPolarHBondContact CE2-OH 3.36Å; N501-Y503 PolarHBondContact O-N 3.49Å
504	P	93.1	Very high	94.6	Very high	50 Å²	50	51.4 Å²	51.4	33%	0.325	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91	7.6	9.3	37.2	-37.1	0	0	0	115.2	D387 F388 R498	D387-P504 WeakPolarHBondContact CA-O 3.49Å; F388-P504 HydrophobicContact CD2-CB 3.98Å; F388-P504 HydrophobicContact CE2-CB 4.2Å; R498-P504 PolarHBondContact NH1-O 2.86Å
505	N	93.8	Very high	94.7	Very high	95 Å²	95	52.9 Å²	52.9	51%	0.508	27%	0.272	S	S	.	.			trans	-66	156.3	-174	-56.4	-10.4	0	0	0	112.6	R498 N501 V502	R498-N505 PolarHBondContact NH1-O 3.17Å; N501-N505 HydrophobicContact CB-CB 4.48Å; N501-N505 WeakPolarHBondContact CB-O 3.39Å; V502-N505 VanDerWaalsContact O-CB 3.28Å; V502-N505 WeakPolarHBondContact O-CB 3.39Å; V502-N505 PolarHBondContact O-N 3.14Å
506	L	94.1	Very high	94.7	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.099	25%	0.25	C	S	.	.			trans	-150	155.7	176.3	-70.2	173.8	0	0	0	109.1	D497 R498 P509	D497-L506 HydrophobicContact CB-CD2 4.02Å; D497-L506 WeakPolarHBondContact OD1-CA 3.17Å; D497-L506 WeakPolarHBondContact OD2-CB 3.37Å; R498-L506 HydrophobicContact CG-CD2 3.91Å; R498-L506 VanDerWaalsContact NH1-CG 3.32Å; L506-P509 HydrophobicContact CB-CB 4.27Å; L506-P509 HydrophobicContact CD1-CB 4.14Å
507	H	92.7	Very high	94.8	Very high	67 Å²	67	43.9 Å²	43.9	31%	0.31	24%	0.237	S	C	.	.	S	Bend	trans	-79.3	-36.7	161.5	-63.4	-45.1	0	0	0	111.3	P463 D497 N501 P509	P463-H507 HydrophobicContact CB-CB 4.34Å; D497-H507 IonicContact OD1-CD2 3.78Å; D497-H507 IonicContact OD1-CG 3.95Å; D497-H507 PolarHBondContact OD1-N 2.96Å; D497-H507 PolarHBondContact OD2-N 3.28Å; D497-H507 VanDerWaalsContact OD2-N 3.09Å; N501-H507 PolarHBondContact ND2-CD2 3.34Å; N501-H507 PolarHBondContact ND2-CE1 3.18Å; N501-H507 PolarHBondContact ND2-NE2 3.07Å; N501-H507 VanDerWaalsContact ND2-NE2 3.11Å; H507-P509 WeakPolarHBondContact O-CD 3.24Å
508	Y	94.6	Very high	95	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.			trans	-125.1	76.7	-177	-51.2	-71.2	0	0	0	110.8	L459 L460 I464 V473 I475 R494 D497 E510	L459-Y508 HydrophobicContact CB-CE2 3.74Å; L459-Y508 HydrophobicContact CD2-CE2 4.39Å; L459-Y508 HydrophobicContact CG-CE2 4.48Å; L459-Y508 VanDerWaalsContact O-CE2 3.26Å; L459-Y508 WeakPolarHBondContact O-CE2 3.37Å; L459-Y508 PolarHBondContact O-OH 3.36Å; L460-Y508 HydrophobicContact CD2-CD2 4.32Å; L460-Y508 HydrophobicContact CD2-CE2 4.07Å; I464-Y508 HydrophobicContact CB-CE1 4.25Å; I464-Y508 PolarHBondContact N-OH 3.23Å; V473-Y508 HydrophobicContact CG1-CD1 4.4Å; V473-Y508 HydrophobicContact CG1-CE1 4.33Å; I475-Y508 HydrophobicContact CD1-CD1 3.51Å; I475-Y508 HydrophobicContact CD1-CD2 4.27Å; I475-Y508 HydrophobicContact CD1-CE1 3.96Å; I475-Y508 HydrophobicContact CD1-CG 3.66Å; I475-Y508 HydrophobicContact CG1-CD1 4.17Å; R494-Y508 PolarHBondContact NH2-O 3.33Å; D497-Y508 PolarHBondContact OD2-N 3.42Å; Y508-E510 VanDerWaalsContact C-N 3.27Å; Y508-E510 PolarHBondContact O-N 3.37Å
509	P	93.8	Very high	95	Very high	19 Å²	19	44.7 Å²	44.7	12%	0.123	24%	0.243	C	C	.	.			trans	-68.7	-24.9	178.7	29.6	-36.5	0	0	0	113.3	I385 G386 D387 R494 L506 H507	I385-P509 HydrophobicContact CB-CB 4.29Å; I385-P509 HydrophobicContact CD1-CB 3.8Å; I385-P509 HydrophobicContact CD1-CG 3.81Å; I385-P509 HydrophobicContact CG1-CB 3.91Å; I385-P509 HydrophobicContact CG1-CG 4.47Å; G386-P509 PolarHBondContact N-O 3.09Å; D387-P509 HydrophobicContact CB-CB 4.02Å; D387-P509 WeakPolarHBondContact OD2-CB 3.29Å; D387-P509 WeakPolarHBondContact OD2-CG 3.42Å; R494-P509 PolarHBondContact NH2-O 3.2Å; L506-P509 HydrophobicContact CB-CB 4.27Å; L506-P509 HydrophobicContact CD1-CB 4.14Å; H507-P509 WeakPolarHBondContact O-CD 3.24Å
510	E	94.8	Very high	95.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.23	C	C	.	.			trans	-113.8	98.1	-172	-165.4	160.2	175	0	0	111.4	I385 F392 V393 R472 V474 I475 Y508 Y512	I385-E510 HydrophobicContact CB-CB 4.44Å; I385-E510 HydrophobicContact CG2-CB 4.13Å; I385-E510 HydrophobicContact CG2-CG 3.97Å; F392-E510 HydrophobicContact CD1-CG 4.07Å; F392-E510 HydrophobicContact CE1-CG 4.45Å; V393-E510 WeakPolarHBondContact CB-OE1 3.19Å; V393-E510 WeakPolarHBondContact CG2-OE1 3.49Å; V393-E510 PolarHBondContact N-OE1 3.47Å; R472-E510 WeakPolarHBondContact CD-OE2 3.18Å; R472-E510 IonicContact CZ-OE2 3.33Å; R472-E510 IonicContact NE-OE2 2.7Å; R472-E510 IonicContact NH1-OE1 3.43Å; R472-E510 IonicContact NH1-OE2 3.48Å; R472-E510 PolarHBondContact NH1-OE2 2.95Å; V474-E510 HydrophobicContact CG2-CG 4.21Å; I475-E510 PolarHBondContact N-O 3.25Å; Y508-E510 VanDerWaalsContact C-N 3.27Å; Y508-E510 PolarHBondContact O-N 3.37Å; E510-Y512 HydrophobicContact CG-CE2 3.71Å; E510-Y512 PolarHBondContact OE1-OH 2.96Å
511	L	96.4	Very high	95.4	Very high	12 Å²	12	40 Å²	40	6%	0.063	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.2	-177	-53.5	178.1	0	0	0	109.9	I475 F477 R494	I475-L511 HydrophobicContact CB-CD2 3.74Å; I475-L511 HydrophobicContact CD1-CD2 4.08Å; I475-L511 HydrophobicContact CG1-CD2 4.09Å; I475-L511 WeakPolarHBondContact O-CA 3.11Å; F477-L511 HydrophobicContact CE2-CB 4.46Å; F477-L511 HydrophobicContact CE2-CD1 4.43Å; F477-L511 HydrophobicContact CE2-CD2 4.12Å; R494-L511 HydrophobicContact CB-CD1 4.12Å
512	Y	97.1	Very high	95.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	166.2	-179.6	-65.8	-77.2	0	0	0	112.8	F392 V393 L394 T396 K405 I407 V474 I475 F477 E510	F392-Y512 WeakPolarHBondContact CB-OH 3.37Å; F392-Y512 AromaticContact CD1-CE1 3.79Å; F392-Y512 HydrophobicContact CD1-CE1 3.79Å; F392-Y512 AromaticContact CD1-CZ 3.68Å; F392-Y512 HydrophobicContact CE1-CE1 4.42Å; F392-Y512 HydrophobicContact CG-CE1 4.48Å; V393-Y512 PolarHBondContact N-OH 3.14Å; L394-Y512 WeakPolarHBondContact CA-OH 3.46Å; L394-Y512 HydrophobicContact CB-CE1 4.18Å; L394-Y512 HydrophobicContact CB-CE2 4Å; L394-Y512 WeakPolarHBondContact CB-OH 3.37Å; L394-Y512 HydrophobicContact CD1-CD2 4.03Å; L394-Y512 HydrophobicContact CD1-CE2 3.85Å; L394-Y512 HydrophobicContact CG-CE2 3.94Å; L394-Y512 PolarHBondContact N-OH 2.76Å; L394-Y512 PolarHBondContact O-OH 3.33Å; L394-Y512 VanDerWaalsContact O-OH 3.04Å; T396-Y512 HydrophobicContact CG2-CD1 4.26Å; T396-Y512 HydrophobicContact CG2-CE1 3.69Å; K405-Y512 HydrophobicContact CB-CD1 3.97Å; K405-Y512 HydrophobicContact CB-CE1 4.3Å; K405-Y512 CarbonylContact O-C 3.33Å; K405-Y512 VanDerWaalsContact O-CA 3.28Å; K405-Y512 WeakPolarHBondContact O-CA 3.22Å; I407-Y512 HydrophobicContact CG2-CD1 3.56Å; I407-Y512 HydrophobicContact CG2-CE1 4Å; I407-Y512 HydrophobicContact CG2-CG 3.92Å; V474-Y512 HydrophobicContact CG1-CD2 3.53Å; V474-Y512 HydrophobicContact CG1-CE2 3.59Å; I475-Y512 PolarHBondContact O-N 3.43Å; F477-Y512 PolarHBondContact N-O 2.93Å; E510-Y512 HydrophobicContact CG-CE2 3.71Å; E510-Y512 PolarHBondContact OE1-OH 2.96Å
513	I	97.8	Very high	95.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.3	173.5	-56	-173.2	0	0	0	110.8	L404 K405 Y406 I407 F477 P487 C490 K515	L404-I513 HydrophobicContact CB-CD1 3.89Å; L404-I513 HydrophobicContact CD1-CD1 3.56Å; L404-I513 HydrophobicContact CG-CD1 4.29Å; K405-I513 PolarHBondContact O-N 3.26Å; Y406-I513 CarbonylContact C-O 3.56Å; Y406-I513 WeakPolarHBondContact CA-O 3.29Å; Y406-I513 HydrophobicContact CD1-CB 3.73Å; Y406-I513 HydrophobicContact CD1-CG2 3.66Å; Y406-I513 HydrophobicContact CE1-CB 3.87Å; Y406-I513 HydrophobicContact CE1-CG2 3.43Å; Y406-I513 VanDerWaalsContact CE1-CG2 3.43Å; Y406-I513 HydrophobicContact CG-CB 4.22Å; I407-I513 PolarHBondContact N-O 2.84Å; F477-I513 VanDerWaalsContact O-CA 3.31Å; F477-I513 WeakPolarHBondContact O-CA 3.36Å; P487-I513 HydrophobicContact CB-CD1 4.07Å; P487-I513 HydrophobicContact CG-CD1 3.88Å; C490-I513 HydrophobicContact CB-CD1 4.12Å; C490-I513 HydrophobicContact CB-CG1 4.41Å; I513-K515 PolarHBondContact O-N 3.38Å
514	L	97.6	Very high	95.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	113.3	175	-175.4	59	0	0	0	110.5	I407 M412 I443 V476 F477 H478 S482 G516 G517 F521	I407-L514 HydrophobicContact CG1-CD1 4.48Å; M412-L514 HydrophobicContact CB-CD1 3.72Å; M412-L514 HydrophobicContact CG-CD1 3.96Å; M412-L514 HydrophobicContact CG-CD2 4.45Å; I443-L514 HydrophobicContact CD1-CD2 3.56Å; V476-L514 HydrophobicContact CG1-CB 4.2Å; F477-L514 PolarHBondContact O-N 2.94Å; H478-L514 HydrophobicContact CB-CB 3.7Å; H478-L514 HydrophobicContact CB-CD2 4.12Å; S482-L514 WeakPolarHBondContact CB-O 3.48Å; S482-L514 PolarHBondContact OG-O 3.28Å; L514-G516 PolarHBondContact O-N 3.47Å; L514-G517 PolarHBondContact O-N 3.16Å; L514-G517 VanDerWaalsContact O-N 3.15Å; L514-F521 HydrophobicContact CD1-CD2 4.47Å; L514-F521 HydrophobicContact CD2-CB 4.11Å; L514-F521 HydrophobicContact CD2-CD2 4.08Å; L514-F521 HydrophobicContact CD2-CG 4.27Å
515	K	96.9	Very high	95.6	Very high	94 Å²	94	37.3 Å²	37.3	41%	0.409	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	129.8	179.1	-173.2	167.8	177.4	168.5	0	110.6	V397 D398 Y406 I407 I513 G517	V397-K515 HydrophobicContact CG2-CB 4.45Å; V397-K515 HydrophobicContact CG2-CD 3.68Å; D398-K515 WeakPolarHBondContact O-CE 3.5Å; D398-K515 PolarHBondContact O-NZ 2.77Å; Y406-K515 HydrophobicContact CD1-CB 4.19Å; I407-K515 VanDerWaalsContact O-CB 3.27Å; I407-K515 WeakPolarHBondContact O-CB 3.29Å; I407-K515 PolarHBondContact O-N 2.92Å; I513-K515 PolarHBondContact O-N 3.38Å; K515-G517 PolarHBondContact O-N 3.24Å
516	G	94.8	Very high	95.6	Very high	14 Å²	14	37.2 Å²	37.2	14%	0.144	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-6.2	-177.6	0	0	0	0	0	115.2	F481 L514 D520	F481-G516 WeakPolarHBondContact CA-O 3.45Å; F481-G516 CarbonylContact O-C 3.49Å; L514-G516 PolarHBondContact O-N 3.47Å; G516-D520 WeakPolarHBondContact CA-OD2 3.5Å; G516-D520 PolarHBondContact O-N 3.44Å
517	G	96.6	Very high	95.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	63.4	-160.1	176.3	0	0	0	0	0	114.2	C479 E480 S482 L514 K515 K519 D520 F521	C479-G517 CarbonylContact O-C 3.46Å; C479-G517 WeakPolarHBondContact O-CA 3.45Å; E480-G517 CarbonylContact O-C 3.51Å; S482-G517 VanDerWaalsContact OG-CA 3.27Å; S482-G517 WeakPolarHBondContact OG-CA 3.27Å; L514-G517 PolarHBondContact O-N 3.16Å; L514-G517 VanDerWaalsContact O-N 3.15Å; K515-G517 PolarHBondContact O-N 3.24Å; G517-K519 VanDerWaalsContact C-N 3.28Å; G517-K519 PolarHBondContact O-N 3.38Å; G517-D520 PolarHBondContact O-N 3.12Å; G517-F521 WeakPolarHBondContact O-CB 3.33Å; G517-F521 PolarHBondContact O-N 3.28Å; G517-F521 VanDerWaalsContact O-N 3.09Å
518	Y	97.6	Very high	95.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.5	-31.4	-179.4	-174	-103.9	0	0	0	112.4	G441 H442 I443 C479 E480 D520 F521 F522 C529 S533 Y534	G441-Y518 VanDerWaalsContact C-CZ 3.45Å; G441-Y518 VanDerWaalsContact C-OH 3.23Å; G441-Y518 WeakPolarHBondContact O-CE1 3.32Å; G441-Y518 PolarHBondContact O-OH 3.13Å; H442-Y518 VanDerWaalsContact C-CE2 3.5Å; H442-Y518 PolarHBondContact N-OH 2.73Å; I443-Y518 HydrophobicContact CG1-CD2 3.74Å; I443-Y518 HydrophobicContact CG1-CE2 4.05Å; C479-Y518 PolarHBondContact O-N 2.86Å; E480-Y518 PolarHBondContact O-N 3.26Å; Y518-D520 PolarHBondContact O-N 3.15Å; Y518-F521 HydrophobicContact CD2-CD1 4.49Å; Y518-F521 PolarHBondContact O-N 3.43Å; Y518-F522 HydrophobicContact CD1-CB 4.4Å; Y518-F522 HydrophobicContact CE1-CB 3.97Å; Y518-F522 HydrophobicContact CE1-CD2 4.41Å; Y518-F522 HydrophobicContact CE1-CG 4.31Å; Y518-F522 HydrophobicContact CE2-CB 4.34Å; Y518-F522 AromaticContact CZ-CD2 3.97Å; Y518-F522 VanDerWaalsContact O-CB 3.32Å; Y518-F522 WeakPolarHBondContact O-CB 3.22Å; Y518-F522 PolarHBondContact O-N 2.88Å; Y518-F522 WeakPolarHBondContact OH-CD2 3.03Å; Y518-C529 HydrophobicContact CE2-CB 4.31Å; Y518-C529 WeakPolarHBondContact OH-CB 3.5Å; Y518-S533 PolarHBondContact OH-O 3.33Å; Y518-Y534 AromaticContact CD1-CD2 3.64Å; Y518-Y534 HydrophobicContact CD1-CD2 3.64Å; Y518-Y534 HydrophobicContact CD1-CE2 4.24Å; Y518-Y534 AromaticContact CE1-CD2 3.81Å; Y518-Y534 HydrophobicContact CE1-CD2 3.81Å; Y518-Y534 HydrophobicContact CE1-CG 4.4Å
519	K	96.5	Very high	95.8	Very high	88 Å²	88	40.3 Å²	40.3	38%	0.383	20%	0.203	S	C	.	.	H	α-helix	trans	-61.6	-42.3	178.3	-177	-167.1	166.9	-154.5	0	112.2	E480 F481 G517 P523 Y534	E480-K519 VanDerWaalsContact O-CB 3.27Å; E480-K519 WeakPolarHBondContact O-CB 3.27Å; E480-K519 PolarHBondContact O-N 2.94Å; F481-K519 HydrophobicContact CD1-CD 3.82Å; F481-K519 HydrophobicContact CE1-CD 3.35Å; F481-K519 HydrophobicContact CZ-CD 4.17Å; G517-K519 VanDerWaalsContact C-N 3.28Å; G517-K519 PolarHBondContact O-N 3.38Å; K519-P523 WeakPolarHBondContact O-CD 3.43Å; K519-P523 WeakPolarHBondContact O-CG 3.29Å; K519-Y534 HydrophobicContact CB-CE2 4.27Å; K519-Y534 HydrophobicContact CG-CE1 4.03Å
520	D	95.9	Very high	95.8	Very high	73 Å²	73	44.7 Å²	44.7	39%	0.39	22%	0.222	S	C	.	.	H	α-helix	trans	-89.1	-12.6	179.4	-64.9	-4.7	0	0	0	112.2	G516 G517 Y518 F524	G516-D520 WeakPolarHBondContact CA-OD2 3.5Å; G516-D520 PolarHBondContact O-N 3.44Å; G517-D520 PolarHBondContact O-N 3.12Å; Y518-D520 PolarHBondContact O-N 3.15Å; D520-F524 VanDerWaalsContact O-CD2 3.24Å; D520-F524 WeakPolarHBondContact O-CD2 3.33Å; D520-F524 WeakPolarHBondContact O-CE2 3.43Å
521	F	96.6	Very high	95.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-80.4	-49.9	172.1	-177.6	-92	0	0	0	112.4	M412 V413 I443 L514 G517 Y518 F524 F525 Q528	M412-F521 HydrophobicContact CB-CD2 4.46Å; M412-F521 HydrophobicContact CB-CE2 4.02Å; M412-F521 HydrophobicContact CG-CD2 4.3Å; M412-F521 HydrophobicContact CG-CE2 3.75Å; V413-F521 HydrophobicContact CG2-CE2 3.76Å; V413-F521 HydrophobicContact CG2-CZ 3.84Å; I443-F521 HydrophobicContact CB-CE1 4.33Å; I443-F521 HydrophobicContact CD1-CD1 3.84Å; I443-F521 HydrophobicContact CD1-CD2 4.18Å; I443-F521 HydrophobicContact CD1-CE1 3.95Å; I443-F521 HydrophobicContact CD1-CE2 4.29Å; I443-F521 HydrophobicContact CD1-CG 3.96Å; I443-F521 HydrophobicContact CD1-CZ 4.18Å; I443-F521 HydrophobicContact CG1-CD1 3.77Å; I443-F521 HydrophobicContact CG1-CE1 3.73Å; I443-F521 HydrophobicContact CG1-CG 4.39Å; I443-F521 HydrophobicContact CG1-CZ 4.34Å; I443-F521 HydrophobicContact CG2-CE1 3.93Å; I443-F521 HydrophobicContact CG2-CZ 3.94Å; L514-F521 HydrophobicContact CD1-CD2 4.47Å; L514-F521 HydrophobicContact CD2-CB 4.11Å; L514-F521 HydrophobicContact CD2-CD2 4.08Å; L514-F521 HydrophobicContact CD2-CG 4.27Å; G517-F521 WeakPolarHBondContact O-CB 3.33Å; G517-F521 PolarHBondContact O-N 3.28Å; G517-F521 VanDerWaalsContact O-N 3.09Å; Y518-F521 HydrophobicContact CD2-CD1 4.49Å; Y518-F521 PolarHBondContact O-N 3.43Å; F521-F524 PolarHBondContact O-N 2.68Å; F521-F525 HydrophobicContact CD1-CB 4.33Å; F521-F525 HydrophobicContact CD2-CD2 4.19Å; F521-F525 HydrophobicContact CE1-CB 3.88Å; F521-F525 HydrophobicContact CE2-CB 4.22Å; F521-F525 HydrophobicContact CE2-CD2 4.12Å; F521-F525 HydrophobicContact CE2-CG 4.43Å; F521-F525 HydrophobicContact CZ-CB 3.82Å; F521-F525 HydrophobicContact CZ-CG 4.46Å; F521-F525 PolarHBondContact O-N 3.03Å; F521-F525 VanDerWaalsContact O-N 3.16Å; F521-Q528 HydrophobicContact CE1-CB 4.33Å; F521-Q528 HydrophobicContact CZ-CB 4.18Å
522	F	96.8	Very high	95.9	Very high	32 Å²	32	52.7 Å²	52.7	14%	0.14	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-48.5	-171.3	171.4	-103	0	0	0	114	Y518 F524 F525 Q526 C529 S533	Y518-F522 HydrophobicContact CD1-CB 4.4Å; Y518-F522 HydrophobicContact CE1-CB 3.97Å; Y518-F522 HydrophobicContact CE1-CD2 4.41Å; Y518-F522 HydrophobicContact CE1-CG 4.31Å; Y518-F522 HydrophobicContact CE2-CB 4.34Å; Y518-F522 AromaticContact CZ-CD2 3.97Å; Y518-F522 VanDerWaalsContact O-CB 3.32Å; Y518-F522 WeakPolarHBondContact O-CB 3.22Å; Y518-F522 PolarHBondContact O-N 2.88Å; Y518-F522 WeakPolarHBondContact OH-CD2 3.03Å; F522-F524 VanDerWaalsContact C-N 3.28Å; F522-F524 PolarHBondContact O-N 3.37Å; F522-F525 PolarHBondContact O-N 2.7Å; F522-Q526 HydrophobicContact CD2-CG 4.32Å; F522-Q526 HydrophobicContact CE1-CG 4.5Å; F522-Q526 HydrophobicContact CE2-CB 4.26Å; F522-Q526 HydrophobicContact CE2-CG 3.99Å; F522-Q526 HydrophobicContact CZ-CG 4.09Å; F522-Q526 WeakPolarHBondContact O-CG 3.34Å; F522-Q526 PolarHBondContact O-N 3.43Å; F522-Q526 VanDerWaalsContact O-N 3.09Å; F522-C529 HydrophobicContact CD2-CB 4.03Å; F522-C529 HydrophobicContact CE2-CB 4.42Å; F522-S533 WeakPolarHBondContact CE2-O 3.37Å
523	P	95.8	Very high	95.8	Very high	67 Å²	67	55 Å²	55	44%	0.435	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-37.2	-173.9	-27.2	35.9	0	0	0	114.3	K519 Q526	K519-P523 WeakPolarHBondContact O-CD 3.43Å; K519-P523 WeakPolarHBondContact O-CG 3.29Å; P523-Q526 PolarHBondContact O-NE2 3.18Å
524	F	93.9	Very high	95.8	Very high	157 Å²	157	58.1 Å²	58.1	69%	0.689	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-31	-178.6	-53.1	-77.7	0	0	0	112.9	D520 F521 F522	D520-F524 VanDerWaalsContact O-CD2 3.24Å; D520-F524 WeakPolarHBondContact O-CD2 3.33Å; D520-F524 WeakPolarHBondContact O-CE2 3.43Å; F521-F524 PolarHBondContact O-N 2.68Å; F522-F524 VanDerWaalsContact C-N 3.28Å; F522-F524 PolarHBondContact O-N 3.37Å
525	F	93.9	Very high	95.7	Very high	46 Å²	46	60.9 Å²	60.9	20%	0.202	30%	0.303	C	S	.	.			trans	-124.7	38.4	-169	-59.3	-65.5	0	0	0	113.8	E410 V413 F521 F522 T527 Q528 C529	E410-F525 HydrophobicContact CG-CE2 4.46Å; E410-F525 HydrophobicContact CG-CZ 4.12Å; V413-F525 HydrophobicContact CB-CD1 4.48Å; V413-F525 HydrophobicContact CB-CE1 4.46Å; V413-F525 HydrophobicContact CG2-CB 4.09Å; V413-F525 HydrophobicContact CG2-CD1 3.68Å; V413-F525 HydrophobicContact CG2-CD2 4.01Å; V413-F525 HydrophobicContact CG2-CE1 4.06Å; V413-F525 HydrophobicContact CG2-CE2 4.37Å; V413-F525 HydrophobicContact CG2-CG 3.64Å; V413-F525 HydrophobicContact CG2-CZ 4.39Å; F521-F525 HydrophobicContact CD1-CB 4.33Å; F521-F525 HydrophobicContact CD2-CD2 4.19Å; F521-F525 HydrophobicContact CE1-CB 3.88Å; F521-F525 HydrophobicContact CE2-CB 4.22Å; F521-F525 HydrophobicContact CE2-CD2 4.12Å; F521-F525 HydrophobicContact CE2-CG 4.43Å; F521-F525 HydrophobicContact CZ-CB 3.82Å; F521-F525 HydrophobicContact CZ-CG 4.46Å; F521-F525 PolarHBondContact O-N 3.03Å; F521-F525 VanDerWaalsContact O-N 3.16Å; F522-F525 PolarHBondContact O-N 2.7Å; F525-T527 PolarHBondContact O-N 3.35Å; F525-T527 VanDerWaalsContact O-N 3.08Å; F525-Q528 WeakPolarHBondContact O-CA 3.47Å; F525-Q528 PolarHBondContact O-N 3.3Å; F525-C529 PolarHBondContact O-SG 3.15Å
526	Q	94.2	Very high	95.6	Very high	92 Å²	92	58.2 Å²	58.2	43%	0.43	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-50.6	-33.8	178.1	-56.1	176	33.8	0	0	113.2	F522 P523 Q528 C529 Q532	F522-Q526 HydrophobicContact CD2-CG 4.32Å; F522-Q526 HydrophobicContact CE1-CG 4.5Å; F522-Q526 HydrophobicContact CE2-CB 4.26Å; F522-Q526 HydrophobicContact CE2-CG 3.99Å; F522-Q526 HydrophobicContact CZ-CG 4.09Å; F522-Q526 WeakPolarHBondContact O-CG 3.34Å; F522-Q526 PolarHBondContact O-N 3.43Å; F522-Q526 VanDerWaalsContact O-N 3.09Å; P523-Q526 PolarHBondContact O-NE2 3.18Å; Q526-Q528 VanDerWaalsContact C-N 3.26Å; Q526-Q528 PolarHBondContact O-N 3.1Å; Q526-C529 WeakPolarHBondContact O-CB 3.37Å; Q526-C529 PolarHBondContact O-N 2.83Å; Q526-C529 VanDerWaalsContact O-N 3.13Å; Q526-Q532 WeakPolarHBondContact O-CG 3.43Å; Q526-Q532 PolarHBondContact O-NE2 3.49Å
527	T	94.4	Very high	95.6	Very high	95 Å²	95	58.7 Å²	58.7	58%	0.583	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-65.1	-26.9	176.9	51.1	0	0	0	0	113.7	K444 F525 C529	K444-T527 PolarHBondContact NZ-O 3.33Å; F525-T527 PolarHBondContact O-N 3.35Å; F525-T527 VanDerWaalsContact O-N 3.08Å; T527-C529 VanDerWaalsContact C-N 3.34Å
528	Q	94	Very high	95.4	Very high	55 Å²	55	64.2 Å²	64.2	26%	0.257	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-93.5	11.3	175.9	-56.7	-65.5	18.6	0	0	113	V413 K444 F521 F525 Q526	V413-Q528 HydrophobicContact CG1-CG 4.36Å; V413-Q528 HydrophobicContact CG2-CG 4.21Å; K444-Q528 WeakPolarHBondContact CG-O 3.29Å; K444-Q528 PolarHBondContact N-O 3.33Å; F521-Q528 HydrophobicContact CE1-CB 4.33Å; F521-Q528 HydrophobicContact CZ-CB 4.18Å; F525-Q528 WeakPolarHBondContact O-CA 3.47Å; F525-Q528 PolarHBondContact O-N 3.3Å; Q526-Q528 VanDerWaalsContact C-N 3.26Å; Q526-Q528 PolarHBondContact O-N 3.1Å
529	C	96.2	Very high	95.1	Very high	1 Å²	1	67 Å²	67	1%	0.007	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	151.6	177.4	-56.7	0	0	0	0	111.5	H442 K444 Y518 F522 F525 Q526 T527	H442-C529 CarbonylContact O-C 3.49Å; H442-C529 WeakPolarHBondContact O-CA 3.49Å; K444-C529 WeakPolarHBondContact CE-O 3.34Å; Y518-C529 HydrophobicContact CE2-CB 4.31Å; Y518-C529 WeakPolarHBondContact OH-CB 3.5Å; F522-C529 HydrophobicContact CD2-CB 4.03Å; F522-C529 HydrophobicContact CE2-CB 4.42Å; F525-C529 PolarHBondContact O-SG 3.15Å; Q526-C529 WeakPolarHBondContact O-CB 3.37Å; Q526-C529 PolarHBondContact O-N 2.83Å; Q526-C529 VanDerWaalsContact O-N 3.13Å; T527-C529 VanDerWaalsContact C-N 3.34Å
530	E	95.1	Very high	94.9	Very high	112 Å²	112	68.8 Å²	68.8	52%	0.523	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	128.3	178.4	-167	160.1	158.7	0	0	111.3	H442 K444	H442-E530 PolarHBondContact CE1-O 3.12Å; H442-E530 PolarHBondContact N-O 2.84Å; H442-E530 PolarHBondContact ND1-O 3.13Å; H442-E530 PolarHBondContact O-N 2.97Å; K444-E530 VanDerWaalsContact CE-OE2 3.27Å; K444-E530 WeakPolarHBondContact CE-OE2 3.44Å; K444-E530 HydrophobicContact CG-CB 3.83Å
531	P	96.4	Very high	94.7	Very high	61 Å²	61	71.5 Å²	71.5	40%	0.396	36%	0.356	S	S	.	.	S	Bend	cis	-50.4	164.3	-27.1	25.7	-35.9	0	0	0	112.5	E439 G441 S533	E439-P531 WeakPolarHBondContact O-CG 3.39Å; G441-P531 WeakPolarHBondContact CA-O 3.32Å; P531-S533 PolarHBondContact O-N 2.95Å
532	Q	95.5	Very high	94.4	Very high	119 Å²	119	73.3 Å²	73.3	56%	0.556	36%	0.364	S	S	*	.	S	Bend	trans	-77.1	56.7	179.3	-62.7	-169.3	-24.2	0	0	112.5	Q526	Q526-Q532 WeakPolarHBondContact O-CG 3.43Å; Q526-Q532 PolarHBondContact O-NE2 3.49Å
533	S	96.3	Very high	94.2	Very high	48 Å²	48	76.5 Å²	76.5	34%	0.336	38%	0.378	S	S	.	.			trans	-139.7	171.4	-179.6	52.4	0	0	0	0	111.3	G440 Y518 F522 P531	G440-S533 CarbonylContact O-C 3.58Å; G440-S533 WeakPolarHBondContact O-CB 3.49Å; G440-S533 PolarHBondContact O-OG 3.09Å; Y518-S533 PolarHBondContact OH-O 3.33Å; F522-S533 WeakPolarHBondContact CE2-O 3.37Å; P531-S533 PolarHBondContact O-N 2.95Å
534	Y	96.7	Very high	93.9	Very high	67 Å²	67	77.4 Å²	77.4	26%	0.263	38%	0.379	S	S	.	.			trans	-134.6	115.6	171.9	165.2	-124.5	0	0	0	109.5	E480 Y518 K519 P536	E480-Y534 HydrophobicContact CG-CE2 4.24Å; E480-Y534 WeakPolarHBondContact CG-OH 3.08Å; E480-Y534 PolarHBondContact OE1-OH 2.84Å; Y518-Y534 AromaticContact CD1-CD2 3.64Å; Y518-Y534 HydrophobicContact CD1-CD2 3.64Å; Y518-Y534 HydrophobicContact CD1-CE2 4.24Å; Y518-Y534 AromaticContact CE1-CD2 3.81Å; Y518-Y534 HydrophobicContact CE1-CD2 3.81Å; Y518-Y534 HydrophobicContact CE1-CG 4.4Å; K519-Y534 HydrophobicContact CB-CE2 4.27Å; K519-Y534 HydrophobicContact CG-CE1 4.03Å; Y534-P536 HydrophobicContact CE1-CB 4.41Å
535	R	95.5	Very high	93.8	Very high	58 Å²	58	72.5 Å²	72.5	22%	0.219	36%	0.36	C	S	.	.			trans	-102.4	116.1	169.3	-169.3	-179.8	-68	151.4	-10.2	109.2	Y436 G440 H539 F542	Y436-R535 WeakPolarHBondContact O-CD 3.16Å; Y436-R535 PolarHBondContact O-NH1 2.92Å; G440-R535 PolarHBondContact O-N 2.97Å; R535-H539 HydrophobicContact CG-CB 3.97Å; R535-F542 VanDerWaalsContact CZ-CE2 3.43Å; R535-F542 VanDerWaalsContact CZ-CZ 3.4Å; R535-F542 VanDerWaalsContact NE-CE2 3.34Å
536	P	95.9	Very high	93.6	Very high	38 Å²	38	71.1 Å²	71.1	25%	0.247	36%	0.355	C	S	.	.			trans	-69.9	163.3	173.9	30.3	-36.3	0	0	0	111.7	E480 Y534 H538 H539	E480-P536 WeakPolarHBondContact OE1-CA 3.02Å; E480-P536 VanDerWaalsContact OE1-CB 3.29Å; E480-P536 WeakPolarHBondContact OE1-CB 3.38Å; Y534-P536 HydrophobicContact CE1-CB 4.41Å; P536-H538 VanDerWaalsContact C-N 3.27Å; P536-H538 PolarHBondContact O-N 3.28Å; P536-H539 HydrophobicContact CG-CB 4.47Å
537	M	93.8	Very high	93.4	Very high	23 Å²	23	73.8 Å²	73.8	11%	0.113	36%	0.361	C	S	.	.	S	Bend	trans	-60.7	-36.9	177	178.7	176.5	150.9	0	0	112.3	Y434 Y436 E437 E480 R485 H539 L546	Y434-M537 HydrophobicContact CD2-CG 4.4Å; Y434-M537 HydrophobicContact CE2-CE 4.15Å; Y434-M537 HydrophobicContact CE2-CG 4.37Å; Y434-M537 HydrophobicContact CE2-SD 4.29Å; Y436-M537 PolarHBondContact OH-O 3.26Å; E437-M537 HydrophobicContact CG-CB 4.48Å; E480-M537 PolarHBondContact OE1-N 3.18Å; E480-M537 WeakPolarHBondContact OE2-CB 3.29Å; R485-M537 PolarHBondContact NH2-SD 2.99Å; R485-M537 VanDerWaalsContact NH2-SD 3.43Å; M537-H539 PolarHBondContact O-N 2.69Å; M537-L546 HydrophobicContact CE-CD1 3.67Å; M537-L546 HydrophobicContact CG-CD1 4.04Å
538	H	92.1	Very high	93.1	Very high	117 Å²	117	74.2 Å²	74.2	54%	0.542	36%	0.355	S	S	.	.	S	Bend	trans	-100.8	65.3	178.9	-57.9	96.2	0	0	0	110.4	P536	P536-H538 VanDerWaalsContact C-N 3.27Å; P536-H538 PolarHBondContact O-N 3.28Å
539	H	92.4	Very high	92.7	Very high	58 Å²	58	72.4 Å²	72.4	27%	0.269	35%	0.348	S	S	.	.			trans	-93.3	135.8	172.3	-167.4	-76.3	0	0	0	110.3	R535 P536 M537 D541 F542 K543	R535-H539 HydrophobicContact CG-CB 3.97Å; P536-H539 HydrophobicContact CG-CB 4.47Å; M537-H539 PolarHBondContact O-N 2.69Å; H539-D541 IonicContact CE1-OD2 2.85Å; H539-D541 PolarHBondContact CE1-OD2 2.74Å; H539-D541 VanDerWaalsContact CE1-OD2 3.25Å; H539-D541 PolarHBondContact ND1-N 2.66Å; H539-D541 IonicContact ND1-OD2 3.44Å; H539-D541 PolarHBondContact O-N 2.89Å; H539-F542 HydrophobicContact CB-CB 4.46Å; H539-F542 HydrophobicContact CB-CD2 4.18Å; H539-F542 AromaticContact ND1-CD2 3.65Å; H539-F542 PolarHBondContact O-N 3.26Å; H539-K543 PolarHBondContact O-N 2.9Å
540	E	91.4	Very high	92.3	Very high	126 Å²	126	76.6 Å²	76.6	59%	0.589	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-50.7	-57	-175.3	-71	-61.9	115	0	0	112.8	F542 K543	E540-F542 PolarHBondContact O-N 2.95Å; E540-K543 WeakPolarHBondContact O-CG 3.2Å; E540-K543 PolarHBondContact O-N 2.99Å; E540-K543 WeakPolarHBondContact OE1-CE 3.43Å; E540-K543 IonicContact OE1-NZ 3.58Å; E540-K543 PolarHBondContact OE1-NZ 3.33Å; E540-K543 IonicContact OE2-NZ 3.78Å; E540-K543 PolarHBondContact OE2-NZ 3.47Å
541	D	91.1	Very high	91.7	Very high	129 Å²	129	76.8 Å²	76.8	69%	0.69	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-59.7	-17	-179.1	-47	-17.2	0	0	0	114.8	H539	H539-D541 IonicContact CE1-OD2 2.85Å; H539-D541 PolarHBondContact CE1-OD2 2.74Å; H539-D541 VanDerWaalsContact CE1-OD2 3.25Å; H539-D541 PolarHBondContact ND1-N 2.66Å; H539-D541 IonicContact ND1-OD2 3.44Å; H539-D541 PolarHBondContact O-N 2.89Å
542	F	91.2	Very high	90.8	Very high	38 Å²	38	79 Å²	79	17%	0.167	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-113.9	12.6	-171.8	-66.9	-85.6	0	0	0	113.8	Y436 R535 H539 E540 D544 D545 L546	Y436-F542 HydrophobicContact CD2-CB 3.6Å; Y436-F542 HydrophobicContact CD2-CD1 4.02Å; Y436-F542 AromaticContact CD2-CG 3.79Å; Y436-F542 HydrophobicContact CD2-CG 3.79Å; Y436-F542 HydrophobicContact CE2-CB 3.81Å; Y436-F542 HydrophobicContact CE2-CG 4.48Å; Y436-F542 HydrophobicContact CG-CB 4.16Å; Y436-F542 AromaticContact CG-CD1 3.96Å; Y436-F542 HydrophobicContact CG-CD1 3.96Å; Y436-F542 HydrophobicContact CG-CG 4.2Å; R535-F542 VanDerWaalsContact CZ-CE2 3.43Å; R535-F542 VanDerWaalsContact CZ-CZ 3.4Å; R535-F542 VanDerWaalsContact NE-CE2 3.34Å; H539-F542 HydrophobicContact CB-CB 4.46Å; H539-F542 HydrophobicContact CB-CD2 4.18Å; H539-F542 AromaticContact ND1-CD2 3.65Å; H539-F542 PolarHBondContact O-N 3.26Å; E540-F542 PolarHBondContact O-N 2.95Å; F542-D544 PolarHBondContact O-N 2.87Å; F542-D545 HydrophobicContact CD1-CB 4.46Å; F542-D545 PolarHBondContact O-N 3.24Å; F542-L546 PolarHBondContact O-N 2.89Å
543	K	91.8	Very high	89.7	Confident	100 Å²	100	76 Å²	76	44%	0.435	36%	0.364	S	S	.	.	H	α-helix	trans	-51.3	-38.7	174	-76.4	171.6	174.5	171.3	0	112.7	H539 E540 R547	H539-K543 PolarHBondContact O-N 2.9Å; E540-K543 WeakPolarHBondContact O-CG 3.2Å; E540-K543 PolarHBondContact O-N 2.99Å; E540-K543 WeakPolarHBondContact OE1-CE 3.43Å; E540-K543 IonicContact OE1-NZ 3.58Å; E540-K543 PolarHBondContact OE1-NZ 3.33Å; E540-K543 IonicContact OE2-NZ 3.78Å; E540-K543 PolarHBondContact OE2-NZ 3.47Å; K543-R547 WeakPolarHBondContact O-CG 3.32Å; K543-R547 PolarHBondContact O-N 3.29Å
544	D	90.9	Very high	87.9	Confident	85 Å²	85	80.3 Å²	80.3	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-70.7	-36.2	177.4	-81.8	-2.2	0	0	0	113.7	F542 R547 K548	F542-D544 PolarHBondContact O-N 2.87Å; D544-R547 PolarHBondContact O-N 3.36Å; D544-R547 IonicContact OD1-CZ 3.76Å; D544-R547 IonicContact OD1-NE 3.58Å; D544-R547 PolarHBondContact OD1-NE 3.47Å; D544-R547 IonicContact OD1-NH2 2.69Å; D544-R547 PolarHBondContact OD1-NH2 2.84Å; D544-K548 WeakPolarHBondContact O-CE 3.44Å; D544-K548 WeakPolarHBondContact O-CG 3.37Å; D544-K548 PolarHBondContact O-N 3.45Å
545	D	90.8	Very high	86	Confident	55 Å²	55	80.9 Å²	80.9	29%	0.294	38%	0.383	S	S	.	.	H	α-helix	trans	-76.8	-32.1	178	-67.8	-38.3	0	0	0	111.9	Y436 F542 K548 C549	Y436-D545 HydrophobicContact CD1-CB 3.94Å; Y436-D545 HydrophobicContact CE1-CB 4.38Å; Y436-D545 HydrophobicContact CG-CB 4.48Å; F542-D545 HydrophobicContact CD1-CB 4.46Å; F542-D545 PolarHBondContact O-N 3.24Å; D545-K548 PolarHBondContact O-N 3.18Å; D545-K548 WeakPolarHBondContact OD1-CD 3.32Å; D545-K548 WeakPolarHBondContact OD1-CE 3.5Å; D545-K548 IonicContact OD1-NZ 3.59Å; D545-K548 PolarHBondContact OD1-NZ 3.16Å; D545-C549 VanDerWaalsContact O-CB 3.31Å; D545-C549 WeakPolarHBondContact O-CB 3.35Å; D545-C549 PolarHBondContact O-N 3.16Å; D545-C549 PolarHBondContact O-SG 2.89Å
546	L	90.6	Very high	83.7	Confident	17 Å²	17	83.2 Å²	83.2	9%	0.089	39%	0.392	C	S	.	.	H	α-helix	trans	-56.6	-49.2	164.4	175.9	62.5	0	0	0	110.9	Y434 M537 F542 C549 R550	Y434-L546 HydrophobicContact CD2-CD1 4.29Å; Y434-L546 HydrophobicContact CE2-CD1 3.79Å; M537-L546 HydrophobicContact CE-CD1 3.67Å; M537-L546 HydrophobicContact CG-CD1 4.04Å; F542-L546 PolarHBondContact O-N 2.89Å; L546-C549 PolarHBondContact O-N 3.21Å; L546-R550 HydrophobicContact CD1-CG 4.2Å; L546-R550 WeakPolarHBondContact O-CB 3.36Å; L546-R550 PolarHBondContact O-N 2.94Å
547	R	89.1	Confident	81.5	Confident	148 Å²	148	83.7 Å²	83.7	56%	0.558	40%	0.399	S	S	*	.	H	α-helix	trans	-60.3	-46.7	176.5	-73.2	-166.6	-72.7	-165	3.2	111.9	K543 D544 C549 R550 L551	K543-R547 WeakPolarHBondContact O-CG 3.32Å; K543-R547 PolarHBondContact O-N 3.29Å; D544-R547 PolarHBondContact O-N 3.36Å; D544-R547 IonicContact OD1-CZ 3.76Å; D544-R547 IonicContact OD1-NE 3.58Å; D544-R547 PolarHBondContact OD1-NE 3.47Å; D544-R547 IonicContact OD1-NH2 2.69Å; D544-R547 PolarHBondContact OD1-NH2 2.84Å; R547-C549 VanDerWaalsContact C-N 3.35Å; R547-C549 PolarHBondContact O-N 3.32Å; R547-R550 PolarHBondContact O-N 3.41Å; R547-L551 WeakPolarHBondContact O-CB 3.34Å; R547-L551 PolarHBondContact O-N 3.44Å
548	K	88.6	Confident	79.4	Confident	103 Å²	103	84 Å²	84	45%	0.448	41%	0.409	S	S	.	.	H	α-helix	trans	-60.5	-40.7	176.4	-68.6	163.6	-143.3	161	0	112.3	D544 D545 K552	D544-K548 WeakPolarHBondContact O-CE 3.44Å; D544-K548 WeakPolarHBondContact O-CG 3.37Å; D544-K548 PolarHBondContact O-N 3.45Å; D545-K548 PolarHBondContact O-N 3.18Å; D545-K548 WeakPolarHBondContact OD1-CD 3.32Å; D545-K548 WeakPolarHBondContact OD1-CE 3.5Å; D545-K548 IonicContact OD1-NZ 3.59Å; D545-K548 PolarHBondContact OD1-NZ 3.16Å; K548-K552 WeakPolarHBondContact O-CG 3.27Å; K548-K552 PolarHBondContact O-N 3.18Å
549	C	85.9	Confident	77.2	Confident	18 Å²	18	83.3 Å²	83.3	12%	0.122	41%	0.405	C	S	.	.	H	α-helix	trans	-71.9	-45.4	179.3	-67.6	0	0	0	0	112.2	Y434 D545 L546 R547 L551 K552 S553	Y434-C549 HydrophobicContact CD1-CB 3.53Å; Y434-C549 HydrophobicContact CD2-CB 4.32Å; Y434-C549 HydrophobicContact CE1-CB 3.62Å; Y434-C549 HydrophobicContact CE2-CB 4.39Å; Y434-C549 HydrophobicContact CG-CB 3.89Å; D545-C549 VanDerWaalsContact O-CB 3.31Å; D545-C549 WeakPolarHBondContact O-CB 3.35Å; D545-C549 PolarHBondContact O-N 3.16Å; D545-C549 PolarHBondContact O-SG 2.89Å; L546-C549 PolarHBondContact O-N 3.21Å; R547-C549 VanDerWaalsContact C-N 3.35Å; R547-C549 PolarHBondContact O-N 3.32Å; C549-L551 VanDerWaalsContact C-N 3.32Å; C549-L551 PolarHBondContact O-N 2.68Å; C549-K552 PolarHBondContact O-N 2.74Å; C549-S553 PolarHBondContact O-N 3.37Å; C549-S553 PolarHBondContact O-OG 3.19Å
550	R	86.3	Confident	75.3	Confident	89 Å²	89	83.2 Å²	83.2	34%	0.336	40%	0.403	S	S	.	.	H	α-helix	trans	-57.8	-42.8	173	-77.4	-170.3	179.6	-167.6	5.4	111.5	D263 L546 R547 S553 R554	D263-R550 IonicContact OD2-NH1 2.7Å; D263-R550 PolarHBondContact OD2-NH1 3.09Å; L546-R550 HydrophobicContact CD1-CG 4.2Å; L546-R550 WeakPolarHBondContact O-CB 3.36Å; L546-R550 PolarHBondContact O-N 2.94Å; R547-R550 PolarHBondContact O-N 3.41Å; R550-S553 WeakPolarHBondContact CA-OG 3.44Å; R550-S553 PolarHBondContact O-N 3.07Å; R550-S553 PolarHBondContact O-OG 3.34Å; R550-R554 WeakPolarHBondContact O-CB 3.42Å; R550-R554 WeakPolarHBondContact O-CG 3.27Å; R550-R554 PolarHBondContact O-N 3.27Å
551	L	83.8	Confident	73.6	Confident	115 Å²	115	81.1 Å²	81.1	60%	0.602	40%	0.402	S	S	*	.	H	α-helix	trans	-61.7	-47.2	178.8	-177.5	60.6	0	0	0	111.8	R547 C549 R554 T555	R547-L551 WeakPolarHBondContact O-CB 3.34Å; R547-L551 PolarHBondContact O-N 3.44Å; C549-L551 VanDerWaalsContact C-N 3.32Å; C549-L551 PolarHBondContact O-N 2.68Å; L551-R554 PolarHBondContact O-N 3.18Å; L551-T555 PolarHBondContact O-N 2.98Å; L551-T555 PolarHBondContact O-OG1 3.34Å
552	K	76.7	Confident	71.9	Confident	108 Å²	108	81.2 Å²	81.2	47%	0.47	40%	0.396	S	S	.	.	H	α-helix	trans	-56.8	-53.7	174.4	-75.2	174.1	-178.8	178.5	0	111.3	K548 C549 R554 T555 W556	K548-K552 WeakPolarHBondContact O-CG 3.27Å; K548-K552 PolarHBondContact O-N 3.18Å; C549-K552 PolarHBondContact O-N 2.74Å; K552-R554 VanDerWaalsContact C-N 3.27Å; K552-R554 PolarHBondContact O-N 3.3Å; K552-T555 WeakPolarHBondContact CA-OG1 3.36Å; K552-T555 PolarHBondContact O-N 2.94Å; K552-T555 VanDerWaalsContact O-N 3.11Å; K552-T555 PolarHBondContact O-OG1 3.44Å; K552-W556 HydrophobicContact CB-CE3 4.19Å; K552-W556 HydrophobicContact CB-CZ3 4Å; K552-W556 HydrophobicContact CG-CZ3 4.3Å; K552-W556 VanDerWaalsContact O-CE3 3.3Å; K552-W556 PolarHBondContact O-N 3.01Å
553	S	72.6	Confident	70.3	Confident	57 Å²	57	86.2 Å²	86.2	40%	0.399	41%	0.414	S	S	.	.	H	α-helix	trans	-61.5	-34	-179.8	53.4	0	0	0	0	113.1	C549 R550 W556 A557	C549-S553 PolarHBondContact O-N 3.37Å; C549-S553 PolarHBondContact O-OG 3.19Å; R550-S553 WeakPolarHBondContact CA-OG 3.44Å; R550-S553 PolarHBondContact O-N 3.07Å; R550-S553 PolarHBondContact O-OG 3.34Å; S553-W556 PolarHBondContact O-N 3.04Å; S553-A557 WeakPolarHBondContact O-CB 3.48Å; S553-A557 PolarHBondContact O-N 3.39Å
554	R	59.4	Low	68.8	Low	138 Å²	138	86.1 Å²	86.1	52%	0.521	42%	0.419	S	S	.	.	H	α-helix	trans	-66.6	-41.5	173.6	-77.1	176.9	71.8	174.3	4.1	112.3	R550 L551 K552 G558	R550-R554 WeakPolarHBondContact O-CB 3.42Å; R550-R554 WeakPolarHBondContact O-CG 3.27Å; R550-R554 PolarHBondContact O-N 3.27Å; L551-R554 PolarHBondContact O-N 3.18Å; K552-R554 VanDerWaalsContact C-N 3.27Å; K552-R554 PolarHBondContact O-N 3.3Å; R554-G558 PolarHBondContact O-N 3.43Å
555	T	55.5	Low	67.2	Low	79 Å²	79	86.8 Å²	86.8	49%	0.485	42%	0.42	S	S	.	.	H	α-helix	trans	-62.7	-42.8	174.8	44.1	0	0	0	0	111.7	L551 K552 E559	L551-T555 PolarHBondContact O-N 2.98Å; L551-T555 PolarHBondContact O-OG1 3.34Å; K552-T555 WeakPolarHBondContact CA-OG1 3.36Å; K552-T555 PolarHBondContact O-N 2.94Å; K552-T555 VanDerWaalsContact O-N 3.11Å; K552-T555 PolarHBondContact O-OG1 3.44Å; T555-E559 WeakPolarHBondContact O-CB 3.4Å; T555-E559 PolarHBondContact O-N 3.43Å
556	W	47.1	Very low	65.7	Low	106 Å²	106	91.2 Å²	91.2	40%	0.402	43%	0.433	S	S	.	.	H	α-helix	trans	-66.4	-45.5	177.5	-97.3	-80.1	0	0	0	113.3	D453 K552 S553 E559 R560	D453-W556 PolarHBondContact OD2-NE1 3.2Å; K552-W556 HydrophobicContact CB-CE3 4.19Å; K552-W556 HydrophobicContact CB-CZ3 4Å; K552-W556 HydrophobicContact CG-CZ3 4.3Å; K552-W556 VanDerWaalsContact O-CE3 3.3Å; K552-W556 PolarHBondContact O-N 3.01Å; S553-W556 PolarHBondContact O-N 3.04Å; W556-E559 PolarHBondContact O-N 2.69Å; W556-R560 WeakPolarHBondContact O-CB 3.46Å; W556-R560 WeakPolarHBondContact O-CG 3.19Å; W556-R560 PolarHBondContact O-N 2.84Å
557	A	49.6	Very low	64.2	Low	48 Å²	48	93.3 Å²	93.3	40%	0.397	45%	0.449	S	S	.	.	H	α-helix	trans	-65.5	-44.9	178.1	0	0	0	0	0	112.1	S553 R560 S561	S553-A557 WeakPolarHBondContact O-CB 3.48Å; S553-A557 PolarHBondContact O-N 3.39Å; A557-R560 PolarHBondContact O-N 3.49Å; A557-S561 WeakPolarHBondContact O-CB 3.42Å; A557-S561 PolarHBondContact O-N 2.64Å
558	G	50.3	Low	63.1	Low	31 Å²	31	95.5 Å²	95.5	32%	0.32	46%	0.457	S	S	.	.	H	α-helix	trans	-67.2	-35.3	177	0	0	0	0	0	113.2	R554 K562	R554-G558 PolarHBondContact O-N 3.43Å; G558-K562 WeakPolarHBondContact O-CB 3.46Å; G558-K562 VanDerWaalsContact O-CG 3.29Å; G558-K562 WeakPolarHBondContact O-CG 3.49Å; G558-K562 PolarHBondContact O-N 2.76Å
559	E	47	Very low	62.1	Low	101 Å²	101	95.9 Å²	95.9	47%	0.472	46%	0.464	S	S	.	.	H	α-helix	trans	-72.9	-41	174.7	-169.5	177.2	171.3	0	0	111.9	T555 W556 K562 R563	T555-E559 WeakPolarHBondContact O-CB 3.4Å; T555-E559 PolarHBondContact O-N 3.43Å; W556-E559 PolarHBondContact O-N 2.69Å; E559-K562 PolarHBondContact O-N 3.45Å; E559-R563 WeakPolarHBondContact O-CB 3.34Å; E559-R563 PolarHBondContact O-N 3.32Å; E559-R563 IonicContact OE1-CZ 3.6Å; E559-R563 IonicContact OE1-NE 3.9Å; E559-R563 IonicContact OE1-NH2 2.66Å; E559-R563 PolarHBondContact OE1-NH2 3.25Å
560	R	52.5	Low	61	Low	57 Å²	57	104 Å²	104	22%	0.215	50%	0.497	C	S	.	.	H	α-helix	trans	-58.5	-49.1	172.7	-77.1	-176.4	176.8	-167.8	6.7	111.1	E452 D453 F492 W556 A557 K562 R563 D564	E452-R560 IonicContact OE2-CZ 3.39Å; E452-R560 IonicContact OE2-NH1 2.65Å; E452-R560 PolarHBondContact OE2-NH1 3.35Å; E452-R560 IonicContact OE2-NH2 3.77Å; D453-R560 IonicContact OD1-CZ 3.62Å; D453-R560 IonicContact OD1-NE 3.81Å; D453-R560 IonicContact OD1-NH2 2.7Å; D453-R560 PolarHBondContact OD1-NH2 2.88Å; F492-R560 VanDerWaalsContact CE2-NH1 3.34Å; W556-R560 WeakPolarHBondContact O-CB 3.46Å; W556-R560 WeakPolarHBondContact O-CG 3.19Å; W556-R560 PolarHBondContact O-N 2.84Å; A557-R560 PolarHBondContact O-N 3.49Å; R560-K562 PolarHBondContact O-N 3.13Å; R560-R563 PolarHBondContact O-N 3.09Å; R560-R563 VanDerWaalsContact O-N 3.12Å; R560-D564 PolarHBondContact O-N 3.18Å
561	S	55	Low	59.3	Low	82 Å²	82	108.3 Å²	108.3	57%	0.573	52%	0.518	S	S	*	.	H	α-helix	trans	-55.9	-46.9	175.5	177.1	0	0	0	0	112.6	A557 M565	A557-S561 WeakPolarHBondContact O-CB 3.42Å; A557-S561 PolarHBondContact O-N 2.64Å; S561-M565 WeakPolarHBondContact O-CB 3.38Å; S561-M565 PolarHBondContact O-N 3.08Å
562	K	54.8	Low	57.4	Low	131 Å²	131	116.8 Å²	116.8	57%	0.57	54%	0.542	S	S	*	.	H	α-helix	trans	-65.1	-40.2	175	-74.3	171.9	-178.6	176.2	0	112.6	G558 E559 R560 M565 Y566	G558-K562 WeakPolarHBondContact O-CB 3.46Å; G558-K562 VanDerWaalsContact O-CG 3.29Å; G558-K562 WeakPolarHBondContact O-CG 3.49Å; G558-K562 PolarHBondContact O-N 2.76Å; E559-K562 PolarHBondContact O-N 3.45Å; R560-K562 PolarHBondContact O-N 3.13Å; K562-M565 WeakPolarHBondContact O-CB 3.42Å; K562-M565 PolarHBondContact O-N 2.77Å; K562-Y566 WeakPolarHBondContact O-CD2 3.21Å; K562-Y566 PolarHBondContact O-N 3.4Å
563	R	58.8	Low	56.4	Low	143 Å²	143	117.3 Å²	117.3	54%	0.54	55%	0.546	S	S	.	.	H	α-helix	trans	-67.1	-41.2	179.9	-170.9	175.8	-68	179.9	-1.2	110.8	E559 R560 Y566 C567	E559-R563 WeakPolarHBondContact O-CB 3.34Å; E559-R563 PolarHBondContact O-N 3.32Å; E559-R563 IonicContact OE1-CZ 3.6Å; E559-R563 IonicContact OE1-NE 3.9Å; E559-R563 IonicContact OE1-NH2 2.66Å; E559-R563 PolarHBondContact OE1-NH2 3.25Å; R560-R563 PolarHBondContact O-N 3.09Å; R560-R563 VanDerWaalsContact O-N 3.12Å; R563-Y566 PolarHBondContact O-N 2.84Å; R563-C567 VanDerWaalsContact O-CB 3.29Å; R563-C567 WeakPolarHBondContact O-CB 3.48Å; R563-C567 PolarHBondContact O-N 3.25Å; R563-C567 PolarHBondContact O-SG 3.36Å
564	D	58.8	Low	55.6	Low	98 Å²	98	120.4 Å²	120.4	52%	0.524	55%	0.554	S	S	.	*	H	α-helix	trans	-68.1	-37.7	173.7	-73.4	-28.5	0	0	0	112	R560 C567 R568	R560-D564 PolarHBondContact O-N 3.18Å; D564-C567 PolarHBondContact O-N 2.82Å; D564-R568 WeakPolarHBondContact O-CB 3.15Å; D564-R568 WeakPolarHBondContact O-CG 3Å; D564-R568 PolarHBondContact O-N 3.07Å
565	M	57.2	Low	55.4	Low	98 Å²	98	119.4 Å²	119.4	48%	0.483	56%	0.556	S	S	.	*	H	α-helix	trans	-59	-47.4	169.7	-175.7	-179.8	66.9	0	0	111.4	S561 K562 R568 L569	S561-M565 WeakPolarHBondContact O-CB 3.38Å; S561-M565 PolarHBondContact O-N 3.08Å; K562-M565 WeakPolarHBondContact O-CB 3.42Å; K562-M565 PolarHBondContact O-N 2.77Å; M565-R568 PolarHBondContact O-N 3.16Å; M565-L569 HydrophobicContact CG-CD1 4.14Å; M565-L569 WeakPolarHBondContact O-CB 2.98Å; M565-L569 VanDerWaalsContact O-CG 3.31Å; M565-L569 WeakPolarHBondContact O-CG 3.37Å; M565-L569 PolarHBondContact O-N 3.48Å
566	Y	60.7	Low	55.4	Low	148 Å²	148	121.8 Å²	121.8	58%	0.58	56%	0.56	S	S	*	*	H	α-helix	trans	-66.4	-36.4	175.6	-74.9	-58.4	0	0	0	113.3	K562 R563 R568 L569 K570	K562-Y566 WeakPolarHBondContact O-CD2 3.21Å; K562-Y566 PolarHBondContact O-N 3.4Å; R563-Y566 PolarHBondContact O-N 2.84Å; Y566-R568 VanDerWaalsContact C-N 3.34Å; Y566-L569 HydrophobicContact CD1-CD1 4.36Å; Y566-L569 PolarHBondContact O-N 3.34Å; Y566-K570 WeakPolarHBondContact O-CB 3.49Å; Y566-K570 WeakPolarHBondContact O-CG 3.24Å; Y566-K570 PolarHBondContact O-N 3.26Å
567	C	58.1	Low	55.9	Low	62 Å²	62	122.8 Å²	122.8	42%	0.419	57%	0.57	S	S	.	*	H	α-helix	trans	-70.2	-28.9	175.3	-76.1	0	0	0	0	112.6	R563 D564 K571	R563-C567 VanDerWaalsContact O-CB 3.29Å; R563-C567 WeakPolarHBondContact O-CB 3.48Å; R563-C567 PolarHBondContact O-N 3.25Å; R563-C567 PolarHBondContact O-SG 3.36Å; D564-C567 PolarHBondContact O-N 2.82Å; C567-K571 WeakPolarHBondContact O-CG 3.47Å
568	R	67	Low	56.3	Low	193 Å²	193	127.8 Å²	127.8	73%	0.728	58%	0.581	S	S	*	*	H	α-helix	trans	-72.1	-47	168.9	-70.6	168	99	174.2	6.5	110.2	D564 M565 Y566 K570 K571 W572	D564-R568 WeakPolarHBondContact O-CB 3.15Å; D564-R568 WeakPolarHBondContact O-CG 3Å; D564-R568 PolarHBondContact O-N 3.07Å; M565-R568 PolarHBondContact O-N 3.16Å; Y566-R568 VanDerWaalsContact C-N 3.34Å; R568-K570 VanDerWaalsContact C-N 3.29Å; R568-K570 PolarHBondContact O-N 2.85Å; R568-K571 PolarHBondContact O-N 3.44Å; R568-W572 VanDerWaalsContact O-CD1 3.31Å
569	L	67.6	Low	56.7	Low	111 Å²	111	134.7 Å²	134.7	58%	0.581	60%	0.6	S	S	*	*	H	α-helix	trans	-61.4	-31.4	177.4	-72.8	166.2	0	0	0	113.5	M565 Y566 K571	M565-L569 HydrophobicContact CG-CD1 4.14Å; M565-L569 WeakPolarHBondContact O-CB 2.98Å; M565-L569 VanDerWaalsContact O-CG 3.31Å; M565-L569 WeakPolarHBondContact O-CG 3.37Å; M565-L569 PolarHBondContact O-N 3.48Å; Y566-L569 HydrophobicContact CD1-CD1 4.36Å; Y566-L569 PolarHBondContact O-N 3.34Å; L569-K571 VanDerWaalsContact C-N 3.27Å; L569-K571 PolarHBondContact O-N 2.69Å
570	K	61.8	Low	57.5	Low	190 Å²	190	137.3 Å²	137.3	83%	0.826	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	3.6	173.9	-78	-171.5	174.2	-174.7	0	115.1	Y566 R568	Y566-K570 WeakPolarHBondContact O-CB 3.49Å; Y566-K570 WeakPolarHBondContact O-CG 3.24Å; Y566-K570 PolarHBondContact O-N 3.26Å; R568-K570 VanDerWaalsContact C-N 3.29Å; R568-K570 PolarHBondContact O-N 2.85Å
571	K	52.2	Low	57.9	Low	179 Å²	179	144 Å²	144	78%	0.778	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	14.3	178.5	-74.6	178.7	177.9	-178.2	0	113.3	C567 R568 L569	C567-K571 WeakPolarHBondContact O-CG 3.47Å; R568-K571 PolarHBondContact O-N 3.44Å; L569-K571 VanDerWaalsContact C-N 3.27Å; L569-K571 PolarHBondContact O-N 2.69Å
572	W	43	Very low	58.2	Low	293 Å²	293	149.6 Å²	149.6	100%	1.11	65%	0.649	S	S	*	*			trans	-120.6	0	172.7	-70.1	91.2	0	0	0	109.9	R568	R568-W572 VanDerWaalsContact O-CD1 3.31Å

Retrieved 572 of 572 residues in 194.8 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).