A0A3Q0KMT4_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KMT4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 537 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	39	Very low	239 Å²	239	145.5 Å²	145.5	100%	1.177	83%	0.826	S	S	*	*				0	109.9	0	-65	-167.9	-141.1	0	0	107.4
2	E	38.6	Very low	38.6	Very low	182 Å²	182	142 Å²	142	85%	0.85	82%	0.817	S	S	*	*			trans	42	105.6	149.2	-67	165.4	175.5	0	0	120
3	S	37.2	Very low	38.3	Very low	101 Å²	101	149.5 Å²	149.5	71%	0.706	82%	0.824	S	S	*	*				68.7	101.7	82.8	57.9	0	0	0	0	114.6
4	Q	45.3	Very low	38.1	Very low	181 Å²	181	146 Å²	146	85%	0.846	82%	0.816	S	S	*	*				67.5	132.2	79.9	-78.4	-169.6	13.3	0	0	113.7
5	T	43.2	Very low	37.7	Very low	128 Å²	128	147.1 Å²	147.1	79%	0.785	82%	0.819	S	S	*	*			cis	-169.1	163.9	-5.2	-0.5	0	0	0	0	108.9
6	L	39	Very low	37.6	Very low	151 Å²	151	144.6 Å²	144.6	79%	0.791	82%	0.815	S	S	*	*			trans	-77.3	163.3	-174.8	-66.5	144.7	0	0	0	115.4
7	T	41.7	Very low	37.5	Very low	132 Å²	132	144.5 Å²	144.5	81%	0.81	82%	0.818	S	S	*	*				161.5	110.4	120.7	40.1	0	0	0	0	110.9
8	S	36.4	Very low	37.2	Very low	108 Å²	108	140.2 Å²	140.2	76%	0.755	81%	0.811	S	S	*	*				61.8	110.5	81.9	-52.6	0	0	0	0	113.4
9	A	33.7	Very low	37.1	Very low	87 Å²	87	138.5 Å²	138.5	72%	0.719	81%	0.808	S	S	*	*				92.4	135.5	52	0	0	0	0	0	115.2
10	T	37.6	Very low	37	Very low	132 Å²	132	138.6 Å²	138.6	81%	0.81	80%	0.804	S	S	*	*			trans	80.8	144.2	165.8	73	0	0	0	0	116.7
11	L	37.1	Very low	36.8	Very low	159 Å²	159	139.3 Å²	139.3	83%	0.832	80%	0.804	S	S	*	*			cis	-165.2	170.6	33.9	-123.3	137.4	0	0	0	110.7
12	S	34.4	Very low	36.6	Very low	104 Å²	104	135.7 Å²	135.7	73%	0.727	79%	0.79	S	S	*	*			trans	-105.5	151.6	-159.3	-9.2	0	0	0	0	115.6
13	R	34.5	Very low	36.3	Very low	239 Å²	239	135.5 Å²	135.5	90%	0.902	79%	0.789	S	S	*	*			trans	86.4	140.2	131.1	-150	172.7	179.8	166.7	-0.7	122.1
14	S	36.3	Very low	36.2	Very low	101 Å²	101	142.1 Å²	142.1	71%	0.706	80%	0.798	S	S	*	*			trans	97.2	106.7	148.9	13	0	0	0	0	121.9
15	D	32.6	Very low	35.5	Very low	163 Å²	163	138.2 Å²	138.2	87%	0.872	79%	0.791	S	S	*	*			trans	6.2	142.2	135.2	-54.5	-39.7	0	0	0	120.8
16	S	36.2	Very low	35.2	Very low	107 Å²	107	143.2 Å²	143.2	75%	0.748	80%	0.797	S	S	*	*				150.7	118	119.4	179.3	0	0	0	0	113.8
17	V	34.3	Very low	34.9	Very low	142 Å²	142	143.7 Å²	143.7	86%	0.861	80%	0.8	S	S	*	*			trans	17.4	138.1	153.8	-78.6	0	0	0	0	122.3
18	G	32.9	Very low	34.5	Very low	68 Å²	68	141.9 Å²	141.9	70%	0.701	80%	0.799	S	S	*	*			trans	148.4	111.9	135.5	0	0	0	0	0	117.2
19	S	36	Very low	34.4	Very low	107 Å²	107	145.4 Å²	145.4	75%	0.748	80%	0.803	S	S	*	*			trans	57.1	114.2	134.2	-72	0	0	0	0	120.5
20	L	34.3	Very low	34.3	Very low	140 Å²	140	147 Å²	147	73%	0.733	81%	0.805	S	S	*	*				98.3	119.4	91.5	-77.8	172.9	0	0	0	112.2
21	L	32.8	Very low	34.1	Very low	155 Å²	155	150 Å²	150	81%	0.812	81%	0.809	S	S	*	*			trans	54.2	113.6	141.4	-55.8	171.8	0	0	0	118.2
22	N	34	Very low	33.7	Very low	163 Å²	163	148 Å²	148	87%	0.872	81%	0.809	S	S	*	*				-158.9	125.9	119.6	-133.5	-1.9	0	0	0	112.4
23	E	32	Very low	33.5	Very low	177 Å²	177	148.3 Å²	148.3	83%	0.827	81%	0.808	S	S	*	*			trans	-67	144.3	163.1	-62.5	178.6	141.6	0	0	110.1
24	R	35.2	Very low	33.2	Very low	241 Å²	241	143 Å²	143	91%	0.909	81%	0.808	S	S	*	*			trans	-169.1	122.5	135.6	-110	169.8	-175.3	-175.5	0.9	112.2
25	S	31.7	Very low	32.8	Very low	99 Å²	99	143.3 Å²	143.3	69%	0.692	81%	0.806	S	S	*	*			trans	-58.8	146.3	173.8	-34.5	0	0	0	0	113.4
26	Y	37.2	Very low	32.5	Very low	233 Å²	233	143.6 Å²	143.6	91%	0.914	81%	0.806	S	S	*	*			trans	-145.3	114.1	145.4	-89	-76.1	0	0	0	109.3
27	D	31.4	Very low	31.9	Very low	160 Å²	160	147.2 Å²	147.2	86%	0.856	80%	0.804	S	S	*	*			trans	-68.4	139.7	167.1	-71.5	-54.5	0	0	0	110.9
28	A	34.9	Very low	31.5	Very low	95 Å²	95	147.8 Å²	147.8	79%	0.785	80%	0.801	S	S	*	*			trans	-165.3	91.6	150.8	0	0	0	0	0	110.7
29	E	32.9	Very low	31.1	Very low	181 Å²	181	153.4 Å²	153.4	85%	0.846	80%	0.801	S	S	*	*			trans	47	138.6	131.8	-86.1	-176.9	151.3	0	0	123.8
30	T	32.6	Very low	30.6	Very low	122 Å²	122	157.5 Å²	157.5	75%	0.748	81%	0.806	S	S	*	*			trans	83.7	88.9	155.4	59.6	0	0	0	0	119.6
31	Q	32.4	Very low	30.2	Very low	194 Å²	194	155.9 Å²	155.9	91%	0.907	81%	0.806	S	S	*	*				172.2	124.4	105.6	-89.2	174	22.9	0	0	111.1
32	S	29.8	Very low	29.9	Very low	117 Å²	117	154 Å²	154	82%	0.818	80%	0.803	S	S	*	*			trans	-81.4	169.6	-177.7	48	0	0	0	0	113.5
33	P	29.3	Very low	29.6	Very low	111 Å²	111	155.4 Å²	155.4	72%	0.721	80%	0.801	S	S	*	*			trans	-103	146.9	-140.6	38.1	-34.3	0	0	0	115.4	T35	P33-T35 PolarHBondContact O-N 3.33Å
34	S	28.8	Very low	29.5	Very low	127 Å²	127	154.9 Å²	154.9	89%	0.888	80%	0.803	S	S	*	*			trans	-85.8	100.5	167.6	51.1	0	0	0	0	111.1
35	T	26.6	Very low	29	Very low	108 Å²	108	151.9 Å²	151.9	66%	0.663	80%	0.799	S	S	*	*			trans	-79.1	119.2	168.1	-49.9	0	0	0	0	108.5	P33 R37	P33-T35 PolarHBondContact O-N 3.33Å; T35-R37 HydrophobicContact CG2-CB 4.4Å
36	L	26.7	Very low	28.9	Very low	169 Å²	169	151.8 Å²	151.8	89%	0.885	80%	0.799	S	S	*	*			trans	-104.8	90.6	160.8	-90.2	167.8	0	0	0	108.9
37	R	24.1	Very low	28.6	Very low	183 Å²	183	148.1 Å²	148.1	69%	0.691	80%	0.795	S	S	*	*			trans	-90.1	112.8	162.6	-116.7	-176.5	170.2	158.9	-0.2	106.9	T35	T35-R37 HydrophobicContact CG2-CB 4.4Å
38	L	25.1	Very low	28.5	Very low	153 Å²	153	147.8 Å²	147.8	80%	0.801	79%	0.793	S	S	*	*			trans	-106.4	89.3	155.9	-78.3	169.1	0	0	0	107.8	F40	L38-F40 HydrophobicContact CD2-CD2 4.19Å; L38-F40 HydrophobicContact CD2-CE2 4.28Å
39	R	24.8	Very low	28.5	Very low	186 Å²	186	149.2 Å²	149.2	70%	0.702	79%	0.794	S	S	*	*			trans	-91.9	121.4	150.7	-77.1	-172.7	174.3	-178.8	-2.2	105.8
40	F	26.4	Very low	28.3	Very low	194 Å²	194	151 Å²	151	85%	0.851	79%	0.794	S	S	*	*			trans	-130.4	111.8	154.1	-92.9	-81.1	0	0	0	108.8	L38	L38-F40 HydrophobicContact CD2-CD2 4.19Å; L38-F40 HydrophobicContact CD2-CE2 4.28Å
41	S	26.6	Very low	28.2	Very low	105 Å²	105	150.2 Å²	150.2	73%	0.734	79%	0.794	S	S	*	*			trans	-75.4	147.8	175.9	-55.5	0	0	0	0	110.4
42	P	26.1	Very low	28.2	Very low	116 Å²	116	145 Å²	145	75%	0.753	78%	0.779	S	S	*	*			trans	-87.5	140.4	170.2	34.3	-28.5	0	0	0	110.3
43	K	26.1	Very low	28.4	Very low	193 Å²	193	146 Å²	146	84%	0.839	78%	0.775	S	S	*	*			trans	135.1	118.7	154	-77.7	172.6	178.8	-173.6	0	111.9
44	L	30.6	Very low	28.6	Very low	166 Å²	166	147.2 Å²	147.2	87%	0.869	78%	0.776	S	S	*	*				-174.9	134.3	114.4	-98.2	152	0	0	0	110.7
45	E	25.4	Very low	28.7	Very low	177 Å²	177	149 Å²	149	83%	0.827	77%	0.77	S	S	*	*			trans	-56.2	150.3	169.5	-70.1	149.7	121.5	0	0	112.5
46	S	30.1	Very low	28.9	Very low	98 Å²	98	151.3 Å²	151.3	69%	0.685	77%	0.773	S	S	*	*			trans	-176.1	118.4	131.5	49.9	0	0	0	0	111.2
47	D	30.7	Very low	29.1	Very low	155 Å²	155	148.6 Å²	148.6	83%	0.829	76%	0.759	S	S	*	*			trans	82.3	99.8	137.4	-50.3	-21.6	0	0	0	120.6
48	L	29.2	Very low	29.5	Very low	154 Å²	154	148.5 Å²	148.5	81%	0.806	76%	0.764	S	S	*	*			trans	-61.6	158.2	152.3	-68.4	166.7	0	0	0	110.5
49	P	34.7	Very low	29.7	Very low	125 Å²	125	148.7 Å²	148.7	81%	0.812	77%	0.765	S	S	*	*				-138	150.6	103.8	33.6	-19.8	0	0	0	115.1
50	Y	27.4	Very low	30	Very low	218 Å²	218	149.3 Å²	149.3	86%	0.855	78%	0.777	S	S	*	*			trans	-49.2	138.3	169.1	-94.5	-106.9	0	0	0	114.8
51	S	32.2	Very low	30.3	Very low	106 Å²	106	145.4 Å²	145.4	74%	0.741	76%	0.763	S	S	*	*			trans	-172.4	98.6	135	-152.6	0	0	0	0	107.8
52	S	32.2	Very low	30.5	Very low	84 Å²	84	148.2 Å²	148.2	59%	0.587	77%	0.77	S	S	*	*				68.1	120.1	100.2	78.1	0	0	0	0	115.6
53	D	33.1	Very low	30.8	Very low	137 Å²	137	146.5 Å²	146.5	73%	0.733	76%	0.758	S	S	*	*			trans	102.3	117.6	145.7	-57	-25.5	0	0	0	120.6
54	N	33.7	Very low	31.1	Very low	138 Å²	138	144.2 Å²	144.2	74%	0.738	76%	0.755	S	S	*	*			trans	101.9	90	146.2	-60	-27.3	0	0	0	119.8
55	Q	30.8	Very low	31.4	Very low	165 Å²	165	142.3 Å²	142.3	77%	0.771	74%	0.739	S	S	*	*				26.6	110.1	119.9	-66.9	179.2	-9.8	0	0	117.6
56	H	31.5	Very low	32	Very low	156 Å²	156	135.1 Å²	135.1	72%	0.722	71%	0.708	S	S	*	*				167.2	137.2	107.7	-106.1	-72	0	0	0	112.2
57	D	29.4	Very low	32.3	Very low	112 Å²	112	134.2 Å²	134.2	60%	0.599	69%	0.694	S	S	*	*			trans	64.3	101.4	139.9	-77.1	19.7	0	0	0	121.2
58	K	33.4	Very low	33	Very low	181 Å²	181	130.5 Å²	130.5	79%	0.787	67%	0.67	S	S	*	*				141.6	114.6	103.4	-86.8	158.5	-173.8	168	0	112.8	Q60	K58-Q60 PolarHBondContact O-N 3.22Å; K58-Q60 VanDerWaalsContact O-N 3.13Å
59	N	29.4	Very low	33.7	Very low	156 Å²	156	124.2 Å²	124.2	83%	0.834	64%	0.637	S	S	*	*			trans	-50.7	109.5	165.1	-63.8	-23.2	0	0	0	110.7	I61	N59-I61 PolarHBondContact O-N 3.16Å
60	Q	30.2	Very low	34.2	Very low	200 Å²	200	122.3 Å²	122.3	94%	0.935	62%	0.616	S	S	*	*			trans	-81.6	103.1	163.8	-120.8	173.4	15.2	0	0	107.1	K58	K58-Q60 PolarHBondContact O-N 3.22Å; K58-Q60 VanDerWaalsContact O-N 3.13Å
61	I	33.5	Very low	35	Very low	111 Å²	111	113.5 Å²	113.5	57%	0.569	58%	0.584	S	S	*	*			trans	-89.4	114	172.4	-63.8	172.3	0	0	0	106.9	N59 T63	N59-I61 PolarHBondContact O-N 3.16Å; I61-T63 PolarHBondContact O-N 3.02Å
62	D	31.1	Very low	35.4	Very low	164 Å²	164	112.8 Å²	112.8	88%	0.877	57%	0.571	S	S	*	*			trans	-58.6	122.4	168.4	-94.3	-32.9	0	0	0	109.2
63	T	31.1	Very low	35.7	Very low	81 Å²	81	112 Å²	112	50%	0.497	56%	0.564	S	S	.	*			trans	-96.4	106.4	177.2	31.7	0	0	0	0	108.9	I61 K65	I61-T63 PolarHBondContact O-N 3.02Å; T63-K65 PolarHBondContact O-N 3.2Å
64	D	34.2	Very low	35.8	Very low	145 Å²	145	109.7 Å²	109.7	78%	0.775	57%	0.572	S	S	*	*			trans	-64.4	114.8	170.2	-108.4	-15.6	0	0	0	109.5
65	K	35.7	Very low	35.9	Very low	125 Å²	125	106.5 Å²	106.5	54%	0.543	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98	101.3	178.4	-66.4	176.3	-173.7	170.9	0	108.8	T63 E67	T63-K65 PolarHBondContact O-N 3.2Å; K65-E67 PolarHBondContact O-N 2.81Å
66	S	38.1	Very low	36	Very low	26 Å²	26	108.4 Å²	108.4	18%	0.182	57%	0.567	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.4	103.8	169.3	66.1	0	0	0	0	109.6	E509	S66-E509 WeakPolarHBondContact CA-OE2 3.38Å; S66-E509 WeakPolarHBondContact CB-OE2 3.16Å
67	E	37.7	Very low	36	Very low	80 Å²	80	107.9 Å²	107.9	37%	0.374	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.9	124.8	172.9	-66.8	-166.2	145.3	0	0	110.1	K65 K80	K65-E67 PolarHBondContact O-N 2.81Å; E67-K80 WeakPolarHBondContact OE1-CE 2.91Å; E67-K80 IonicContact OE1-NZ 3.71Å; E67-K80 PolarHBondContact OE1-NZ 3.29Å; E67-K80 IonicContact OE2-NZ 3.89Å
68	K	44.9	Very low	36.2	Very low	77 Å²	77	106.3 Å²	106.3	34%	0.335	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	135.5	175.3	-68.7	179.4	-178.4	174.4	0	109.5	F70 V81 S510	K68-F70 HydrophobicContact CB-CE2 4.29Å; K68-V81 PolarHBondContact O-N 3.39Å; K68-S510 PolarHBondContact NZ-O 3.18Å
69	I	43.7	Very low	36.4	Very low	22 Å²	22	101.3 Å²	101.3	11%	0.113	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.7	-173.3	-53.3	179.4	0	0	0	109.4	I78 K80 D484	I69-I78 HydrophobicContact CG2-CG2 3.68Å; I69-K80 HydrophobicContact CD1-CD 4.5Å; I69-K80 HydrophobicContact CD1-CG 4.22Å; I69-K80 HydrophobicContact CG1-CG 4.23Å; I69-D484 WeakPolarHBondContact CD1-OD1 3.35Å; I69-D484 VanDerWaalsContact CD1-OD2 3.31Å; I69-D484 WeakPolarHBondContact CD1-OD2 3.45Å; I69-D484 WeakPolarHBondContact CG2-OD1 3.44Å
70	F	44.8	Very low	36.7	Very low	84 Å²	84	97 Å²	97	37%	0.368	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.3	-175.3	-60	-89.5	0	0	0	109.6	K68 V79 V81 I505	K68-F70 HydrophobicContact CB-CE2 4.29Å; F70-V79 PolarHBondContact N-O 2.97Å; F70-V81 HydrophobicContact CD2-CG2 4.21Å; F70-V81 HydrophobicContact CE2-CG2 4.35Å; F70-I505 HydrophobicContact CD1-CD1 4.02Å; F70-I505 HydrophobicContact CD1-CG1 4.5Å; F70-I505 HydrophobicContact CE1-CD1 4.01Å
71	L	43.8	Very low	36.9	Very low	34 Å²	34	90.6 Å²	90.6	18%	0.178	48%	0.482	C	S	.	.			trans	-114.1	118.3	172.2	-68.1	169.7	0	0	0	108.9	I78 K491	L71-I78 HydrophobicContact CD2-CB 4.38Å; L71-I78 HydrophobicContact CD2-CG1 3.96Å; L71-I78 HydrophobicContact CD2-CG2 4.38Å; L71-K491 HydrophobicContact CB-CD 4.45Å
72	L	42.3	Very low	36.8	Very low	90 Å²	90	88.1 Å²	88.1	47%	0.471	47%	0.47	S	S	.	.			trans	-102.7	147.5	178.3	-67	170.6	0	0	0	110.8	T75	L72-T75 PolarHBondContact O-OG1 2.89Å
73	P	36.8	Very low	36.9	Very low	67 Å²	67	85.4 Å²	85.4	44%	0.435	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	140.7	177.3	-10.9	26	0	0	0	111	T75 H503	P73-T75 VanDerWaalsContact C-N 3.33Å; P73-H503 WeakPolarHBondContact CD-CE1 3.43Å; P73-H503 WeakPolarHBondContact CG-CE1 3.23Å; P73-H503 WeakPolarHBondContact CG-NE2 3.05Å
74	G	35.8	Very low	36.8	Very low	89 Å²	89	89.5 Å²	89.5	92%	0.918	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	4.7	177.9	0	0	0	0	0	114.9
75	T	35.2	Very low	36.6	Very low	72 Å²	72	88.1 Å²	88.1	44%	0.442	45%	0.448	S	S	.	.			trans	-122	121.8	169.7	54.7	0	0	0	0	109.5	L72 P73 R77	L72-T75 PolarHBondContact O-OG1 2.89Å; P73-T75 VanDerWaalsContact C-N 3.33Å; T75-R77 PolarHBondContact O-N 3.25Å; T75-R77 VanDerWaalsContact O-N 3.1Å
76	E	33.7	Very low	36.2	Very low	205 Å²	205	88.1 Å²	88.1	96%	0.958	46%	0.459	S	S	*	.			trans	-69.6	4.7	167.2	-67	178.8	168.5	0	0	112.4
77	R	30.8	Very low	35.7	Very low	145 Å²	145	93.3 Å²	93.3	55%	0.547	48%	0.483	S	S	.	.			trans	-95.9	120.6	-173.9	-68.3	-179.3	162.6	-177.9	-10.7	111.1	T75 D105	T75-R77 PolarHBondContact O-N 3.25Å; T75-R77 VanDerWaalsContact O-N 3.1Å; R77-D105 IonicContact CZ-OD1 2.86Å; R77-D105 VanDerWaalsContact CZ-OD1 3.29Å; R77-D105 IonicContact NE-OD1 2.63Å; R77-D105 PolarHBondContact NE-OD1 2.05Å; R77-D105 VanDerWaalsContact NE-OD1 3.15Å; R77-D105 IonicContact NH2-OD1 2.84Å; R77-D105 PolarHBondContact NH2-OD1 3.34Å; R77-D105 IonicContact NH2-OD2 3.15Å; R77-D105 PolarHBondContact NH2-OD2 3.08Å
78	I	35	Very low	35.3	Very low	78 Å²	78	94 Å²	94	40%	0.4	50%	0.497	S	S	.	.			trans	-77.3	120.4	167.8	-53.8	179	0	0	0	107.3	I69 L71	I69-I78 HydrophobicContact CG2-CG2 3.68Å; L71-I78 HydrophobicContact CD2-CB 4.38Å; L71-I78 HydrophobicContact CD2-CG1 3.96Å; L71-I78 HydrophobicContact CD2-CG2 4.38Å
79	V	37.5	Very low	34.6	Very low	76 Å²	76	97.4 Å²	97.4	46%	0.461	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	101.7	173.8	-174.6	0	0	0	0	108.4	F70 V81	F70-V79 PolarHBondContact N-O 2.97Å; V79-V81 HydrophobicContact CG1-CG2 3.98Å
80	K	34.8	Very low	34	Very low	67 Å²	67	103.2 Å²	103.2	29%	0.291	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	112.8	171.2	-170.4	174	-177	174.9	0	108.7	E67 I69 I82	E67-K80 WeakPolarHBondContact OE1-CE 2.91Å; E67-K80 IonicContact OE1-NZ 3.71Å; E67-K80 PolarHBondContact OE1-NZ 3.29Å; E67-K80 IonicContact OE2-NZ 3.89Å; I69-K80 HydrophobicContact CD1-CD 4.5Å; I69-K80 HydrophobicContact CD1-CG 4.22Å; I69-K80 HydrophobicContact CG1-CG 4.23Å; K80-I82 HydrophobicContact CD-CD1 3.99Å; K80-I82 HydrophobicContact CD-CG1 4.06Å; K80-I82 HydrophobicContact CG-CD1 4.35Å; K80-I82 HydrophobicContact CG-CG1 3.89Å
81	V	35.2	Very low	33.5	Very low	64 Å²	64	107.3 Å²	107.3	39%	0.388	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.5	101.8	174.6	-177.2	0	0	0	0	108.3	K68 F70 V79	K68-V81 PolarHBondContact O-N 3.39Å; F70-V81 HydrophobicContact CD2-CG2 4.21Å; F70-V81 HydrophobicContact CE2-CG2 4.35Å; V79-V81 HydrophobicContact CG1-CG2 3.98Å
82	I	30.8	Very low	33	Very low	60 Å²	60	113.2 Å²	113.2	31%	0.308	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.7	109.7	174.2	-51	178.9	0	0	0	108.3	K80 K84	K80-I82 HydrophobicContact CD-CD1 3.99Å; K80-I82 HydrophobicContact CD-CG1 4.06Å; K80-I82 HydrophobicContact CG-CD1 4.35Å; K80-I82 HydrophobicContact CG-CG1 3.89Å; I82-K84 HydrophobicContact CG2-CG 4.48Å
83	K	33.3	Very low	32.6	Very low	107 Å²	107	116.5 Å²	116.5	47%	0.465	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.1	114.8	164.7	-90.4	-174.6	174.6	179	0	109.6	F85	K83-F85 HydrophobicContact CB-CD2 4.5Å; K83-F85 HydrophobicContact CB-CE2 3.8Å; K83-F85 HydrophobicContact CB-CZ 3.96Å; K83-F85 HydrophobicContact CD-CZ 3.91Å; K83-F85 HydrophobicContact CG-CZ 4.48Å
84	K	29.9	Very low	32.2	Very low	166 Å²	166	122.1 Å²	122.1	72%	0.722	64%	0.638	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.8	124.8	165.6	-73.3	-179.9	-179.9	172.5	0	108.7	I82	I82-K84 HydrophobicContact CG2-CG 4.48Å
85	F	29.1	Very low	32	Very low	117 Å²	117	126.5 Å²	126.5	51%	0.513	63%	0.628	S	S	.	*			trans	-106.4	121	169.3	-62.6	-79.2	0	0	0	109	K83	K83-F85 HydrophobicContact CB-CD2 4.5Å; K83-F85 HydrophobicContact CB-CE2 3.8Å; K83-F85 HydrophobicContact CB-CZ 3.96Å; K83-F85 HydrophobicContact CD-CZ 3.91Å; K83-F85 HydrophobicContact CG-CZ 4.48Å
86	T	26.7	Very low	31.9	Very low	124 Å²	124	129.3 Å²	129.3	76%	0.761	65%	0.645	S	S	*	*			trans	-100.1	115.2	166.4	48.5	0	0	0	0	108.1
87	I	27.6	Very low	31.9	Very low	135 Å²	135	127.9 Å²	127.9	69%	0.692	64%	0.639	S	S	*	*			trans	-94	112.1	168.8	-57.9	173.4	0	0	0	106.1
88	S	28.9	Very low	32.2	Very low	95 Å²	95	131.4 Å²	131.4	66%	0.664	65%	0.652	S	S	*	*			trans	-102.1	119.1	169.3	65.6	0	0	0	0	109.5	N90	S88-N90 PolarHBondContact O-N 3.47Å
89	D	30.3	Very low	32.2	Very low	149 Å²	149	133.6 Å²	133.6	80%	0.797	67%	0.665	S	S	*	*			trans	-69	79.6	167.2	-75	-28.9	0	0	0	109.6
90	N	32.4	Very low	32.1	Very low	144 Å²	144	135.2 Å²	135.2	77%	0.77	67%	0.671	S	S	*	*	S	Bend	trans	-159.7	130	157.4	-98.3	-29.2	0	0	0	110.2	S88 N92	S88-N90 PolarHBondContact O-N 3.47Å; N90-N92 PolarHBondContact O-N 2.79Å
91	N	33.5	Very low	32.1	Very low	170 Å²	170	140.5 Å²	140.5	91%	0.909	70%	0.697	S	S	*	*	S	Bend	trans	-65.6	27	-164.7	-87.4	-28.7	0	0	0	117.4
92	N	33.5	Very low	32.2	Very low	157 Å²	157	142.7 Å²	142.7	84%	0.84	70%	0.702	S	S	*	*			trans	-130.6	98.2	176.9	-74.2	-26.1	0	0	0	110.6	N90 E94	N90-N92 PolarHBondContact O-N 2.79Å; N92-E94 PolarHBondContact O-N 2.07Å
93	K	34.6	Very low	32.2	Very low	159 Å²	159	144.9 Å²	144.9	69%	0.691	72%	0.719	S	S	*	*			trans	-80.2	101.8	-177.3	-66.2	-178.7	180	179.5	0	111.5	Y95	K93-Y95 HydrophobicContact CB-CD2 4.46Å; K93-Y95 HydrophobicContact CB-CE2 4.04Å; K93-Y95 HydrophobicContact CD-CE2 4.24Å
94	E	28.3	Very low	32.3	Very low	185 Å²	185	146.3 Å²	146.3	86%	0.864	73%	0.725	S	S	*	*			trans	-102.6	112.4	158.4	-157.1	169.7	-152.1	0	0	107.9	N92	N92-E94 PolarHBondContact O-N 2.07Å
95	Y	31.4	Very low	32.4	Very low	181 Å²	181	143 Å²	143	71%	0.71	72%	0.715	S	S	*	*			trans	-82.4	119.8	-178.7	-72.9	-89.9	0	0	0	109.7	K93	K93-Y95 HydrophobicContact CB-CD2 4.46Å; K93-Y95 HydrophobicContact CB-CE2 4.04Å; K93-Y95 HydrophobicContact CD-CE2 4.24Å
96	T	33.2	Very low	32.6	Very low	131 Å²	131	141.5 Å²	141.5	80%	0.804	72%	0.719	S	S	*	*			trans	-113.4	103.7	161.7	27.6	0	0	0	0	108.6	R98	T96-R98 PolarHBondContact O-N 3.18Å
97	E	34.5	Very low	32.8	Very low	175 Å²	175	142.9 Å²	142.9	82%	0.818	72%	0.722	S	S	*	*			trans	-66.6	105.6	163.4	-81.3	175.3	158.3	0	0	107.7
98	R	35.8	Very low	32.9	Very low	220 Å²	220	143.4 Å²	143.4	83%	0.83	73%	0.725	S	S	*	*			trans	-101.9	92.1	156.6	-90.8	-169.3	-170.1	172.4	4.2	107.7	T96 N100	T96-R98 PolarHBondContact O-N 3.18Å; R98-N100 PolarHBondContact O-N 3.11Å
99	D	35.5	Very low	32.9	Very low	124 Å²	124	145.6 Å²	145.6	66%	0.663	73%	0.729	S	S	*	*			trans	-72	98.6	162.1	-66.9	-36	0	0	0	107.6	E101	D99-E101 PolarHBondContact O-N 2.98Å
100	N	35.9	Very low	33.1	Very low	110 Å²	110	146.5 Å²	146.5	59%	0.588	73%	0.734	S	S	*	*			trans	-92	91.3	165	-71.6	3.8	0	0	0	107.3	R98 E102	R98-N100 PolarHBondContact O-N 3.11Å; N100-E102 PolarHBondContact O-N 3.15Å
101	E	33.8	Very low	33	Very low	178 Å²	178	143.4 Å²	143.4	83%	0.832	73%	0.728	S	S	*	*			trans	-74.2	101.7	161.6	-70.4	-175.5	165.8	0	0	107.9	D99	D99-E101 PolarHBondContact O-N 2.98Å
102	E	36.7	Very low	33	Very low	109 Å²	109	142.2 Å²	142.2	51%	0.509	72%	0.722	S	S	.	*			trans	-91.4	98.8	167.9	-74.4	179.3	-170.6	0	0	108.5	N100 F104	N100-E102 PolarHBondContact O-N 3.15Å; E102-F104 HydrophobicContact CB-CD2 4.23Å; E102-F104 HydrophobicContact CB-CE2 3.73Å; E102-F104 HydrophobicContact CB-CZ 4.47Å; E102-F104 PolarHBondContact O-N 3.21Å; E102-F104 WeakPolarHBondContact OE2-CE2 3.42Å
103	V	32.5	Very low	33	Very low	107 Å²	107	142.3 Å²	142.3	65%	0.648	72%	0.723	S	S	*	*			trans	-79.6	109.7	169.6	179.2	0	0	0	0	107.6
104	F	35.1	Very low	32.9	Very low	136 Å²	136	143.6 Å²	143.6	60%	0.596	73%	0.731	S	S	*	*			trans	-93.2	102.5	169.8	-74.2	-84.8	0	0	0	109.4	E102 S106	E102-F104 HydrophobicContact CB-CD2 4.23Å; E102-F104 HydrophobicContact CB-CE2 3.73Å; E102-F104 HydrophobicContact CB-CZ 4.47Å; E102-F104 PolarHBondContact O-N 3.21Å; E102-F104 WeakPolarHBondContact OE2-CE2 3.42Å; F104-S106 PolarHBondContact O-N 2.9Å
105	D	30.4	Very low	33.2	Very low	97 Å²	97	143.2 Å²	143.2	52%	0.519	73%	0.729	S	S	.	*			trans	-77	102.5	160.8	-86.7	-35.6	0	0	0	107.1	R77 N107	R77-D105 IonicContact CZ-OD1 2.86Å; R77-D105 VanDerWaalsContact CZ-OD1 3.29Å; R77-D105 IonicContact NE-OD1 2.63Å; R77-D105 PolarHBondContact NE-OD1 2.05Å; R77-D105 VanDerWaalsContact NE-OD1 3.15Å; R77-D105 IonicContact NH2-OD1 2.84Å; R77-D105 PolarHBondContact NH2-OD1 3.34Å; R77-D105 IonicContact NH2-OD2 3.15Å; R77-D105 PolarHBondContact NH2-OD2 3.08Å; D105-N107 PolarHBondContact O-N 3.25Å
106	S	34.1	Very low	33.4	Very low	85 Å²	85	140.8 Å²	140.8	59%	0.594	73%	0.729	S	S	*	*			trans	-92.5	79.4	167.7	48.2	0	0	0	0	109.3	F104 I108	F104-S106 PolarHBondContact O-N 2.9Å; S106-I108 PolarHBondContact O-N 3.35Å
107	N	30.6	Very low	33.6	Very low	154 Å²	154	142.7 Å²	142.7	82%	0.824	73%	0.733	S	S	*	*			trans	-73.7	82	156.8	-82.6	-9.1	0	0	0	107.6	D105 N109	D105-N107 PolarHBondContact O-N 3.25Å; N107-N109 VanDerWaalsContact C-N 3.34Å; N107-N109 PolarHBondContact O-N 3.44Å
108	I	30.2	Very low	33.7	Very low	146 Å²	146	142 Å²	142	75%	0.749	74%	0.735	S	S	*	*			trans	-88.2	85.6	165.7	-58.5	173.5	0	0	0	106.2	S106	S106-I108 PolarHBondContact O-N 3.35Å
109	N	29.9	Very low	33.8	Very low	141 Å²	141	134.9 Å²	134.9	75%	0.754	72%	0.718	S	S	*	*			trans	-160.2	89.4	158	-82.8	-33.5	0	0	0	104.9	N107	N107-N109 VanDerWaalsContact C-N 3.34Å; N107-N109 PolarHBondContact O-N 3.44Å
110	D	34.2	Very low	33.7	Very low	167 Å²	167	138.3 Å²	138.3	89%	0.893	73%	0.728	S	S	*	*				179.2	130.4	128.8	-83.2	-24.9	0	0	0	108.8
111	A	30.6	Very low	33.8	Very low	80 Å²	80	140.4 Å²	140.4	66%	0.661	74%	0.738	S	S	*	*			trans	-63.3	165.1	176.1	0	0	0	0	0	110.9
112	D	32.8	Very low	33.9	Very low	144 Å²	144	140.7 Å²	140.7	77%	0.77	74%	0.736	S	S	*	*			trans	78.8	81.4	163.9	-44.8	-27.5	0	0	0	115.8
113	N	33.3	Very low	33.7	Very low	160 Å²	160	143 Å²	143	86%	0.856	75%	0.752	S	S	*	*			trans	-174.8	87.8	131.9	-93.2	-34	0	0	0	111.2	Q115	N113-Q115 PolarHBondContact O-N 3.22Å
114	E	31.5	Very low	33.7	Very low	186 Å²	186	145.3 Å²	145.3	87%	0.869	76%	0.755	S	S	*	*			trans	-68.7	96.8	156.3	-71.1	-169.4	156.3	0	0	108.9
115	Q	34.6	Very low	33.4	Very low	177 Å²	177	148.2 Å²	148.2	83%	0.827	76%	0.764	S	S	*	*			trans	163.2	98.3	156.7	-94.4	160.1	28.6	0	0	108	N113	N113-Q115 PolarHBondContact O-N 3.22Å
116	D	36.8	Very low	33.3	Very low	130 Å²	130	149.5 Å²	149.5	70%	0.695	78%	0.775	S	S	*	*			trans	168.1	14.2	146.9	-95.2	-21.5	0	0	0	115.7	N118 S119	D116-N118 PolarHBondContact O-N 2.98Å; D116-S119 PolarHBondContact O-N 3.34Å; D116-S119 PolarHBondContact O-OG 3.35Å
117	L	37.1	Very low	33.2	Very low	171 Å²	171	152.6 Å²	152.6	90%	0.895	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	2.2	-177.5	-125.8	82.1	0	0	0	116.1
118	N	37.2	Very low	33.1	Very low	161 Å²	161	154.6 Å²	154.6	86%	0.861	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	0.7	-179.9	-84.1	-21.5	0	0	0	114.9	D116	D116-N118 PolarHBondContact O-N 2.98Å
119	S	36.8	Very low	33.1	Very low	69 Å²	69	154.3 Å²	154.3	48%	0.483	79%	0.792	S	S	.	*	S	Bend	trans	-103.2	-7.9	-178.6	56.9	0	0	0	0	114.6	D116	D116-S119 PolarHBondContact O-N 3.34Å; D116-S119 PolarHBondContact O-OG 3.35Å
120	F	33.3	Very low	32.9	Very low	196 Å²	196	156 Å²	156	86%	0.86	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-3.1	-175.1	-111.1	-92.8	0	0	0	116.1
121	I	39	Very low	32.8	Very low	155 Å²	155	157.3 Å²	157.3	80%	0.795	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-2.7	-177.9	-65.2	176.6	0	0	0	112.7
122	K	35.4	Very low	32.5	Very low	184 Å²	184	162.4 Å²	162.4	80%	0.8	80%	0.798	S	S	*	*	S	Bend	trans	-118.7	1.4	-166.5	-120.5	177.3	-176.9	177.5	0	119
123	N	33	Very low	32.2	Very low	158 Å²	158	163.5 Å²	163.5	85%	0.845	79%	0.792	S	S	*	*			trans	-113.5	58.8	176.8	-75.5	-13.9	0	0	0	112
124	Q	31.6	Very low	31.8	Very low	154 Å²	154	166 Å²	166	72%	0.72	79%	0.791	S	S	*	*			trans	-72.5	145.7	143.6	-73.2	-176.3	9	0	0	107.4
125	Y	29.7	Very low	31.6	Very low	198 Å²	198	166.5 Å²	166.5	78%	0.776	79%	0.791	S	S	*	*	S	Bend	trans	85.5	117.2	177.5	-55.9	-84.9	0	0	0	115.8
126	T	28.1	Very low	31.2	Very low	123 Å²	123	164.4 Å²	164.4	76%	0.755	79%	0.79	S	S	*	*			trans	81.8	98.4	162.5	76.9	0	0	0	0	116.6
127	N	30.8	Very low	30.8	Very low	151 Å²	151	164.7 Å²	164.7	81%	0.807	79%	0.791	S	S	*	*				-179.7	141.1	102.7	-94.6	-44.7	0	0	0	113.3
128	K	28.3	Very low	30.2	Very low	196 Å²	196	162.4 Å²	162.4	85%	0.852	78%	0.784	S	S	*	*			trans	-64.4	136.2	174.8	-62	162.6	176.7	174.2	0	109.4
129	T	31.5	Very low	29.8	Very low	139 Å²	139	160.4 Å²	160.4	85%	0.853	78%	0.777	S	S	*	*			trans	-156.1	124.9	151.7	10.4	0	0	0	0	110.3
130	E	26.1	Very low	29.3	Very low	176 Å²	176	164.9 Å²	164.9	82%	0.822	79%	0.79	S	S	*	*			trans	-71.8	135.8	-176.8	-53.9	170.7	149.1	0	0	110.7
131	H	30.6	Very low	29.1	Very low	195 Å²	195	165.1 Å²	165.1	90%	0.903	79%	0.791	S	S	*	*			trans	-150.3	151.1	150.4	-85.9	-62	0	0	0	111.6
132	R	25.9	Very low	28.6	Very low	188 Å²	188	168.9 Å²	168.9	71%	0.709	80%	0.795	S	S	*	*			trans	-103.1	163.7	-145	-65.5	177.4	174.2	169	-1	114.1
133	Y	25.3	Very low	28.2	Very low	166 Å²	166	168.5 Å²	168.5	65%	0.651	80%	0.796	S	S	*	*			trans	80.1	137.5	157.9	-46	-78.6	0	0	0	116.7
134	Y	26	Very low	28	Very low	213 Å²	213	172.4 Å²	172.4	84%	0.835	80%	0.799	S	S	*	*			cis	-139.8	144.9	14.7	-85.2	-88.3	0	0	0	111.4
135	K	26.9	Very low	27.7	Very low	197 Å²	197	169.6 Å²	169.6	86%	0.857	79%	0.792	S	S	*	*			trans	-90.2	117.2	-177.5	-166.2	177.8	-171.3	176.2	0	110.2
136	T	26.9	Very low	27.8	Very low	132 Å²	132	167.7 Å²	167.7	81%	0.81	80%	0.795	S	S	*	*			trans	-125	94.2	164	53.4	0	0	0	0	111.3	V138	T136-V138 PolarHBondContact O-N 3.42Å
137	N	27	Very low	27.7	Very low	137 Å²	137	169.9 Å²	169.9	73%	0.733	80%	0.796	S	S	*	*			trans	18.7	91.2	153.2	-62.1	-18.1	0	0	0	118.3	V139	N137-V139 PolarHBondContact O-N 2.8Å
138	V	26	Very low	27.6	Very low	123 Å²	123	174.1 Å²	174.1	75%	0.745	80%	0.801	S	S	*	*			trans	-67	101.4	151.6	-179.6	0	0	0	0	107.9	T136 H140	T136-V138 PolarHBondContact O-N 3.42Å; V138-H140 WeakPolarHBondContact CG1-ND1 3.3Å; V138-H140 PolarHBondContact O-N 3.09Å; V138-H140 VanDerWaalsContact O-N 3.16Å
139	V	27.2	Very low	27.7	Very low	118 Å²	118	169.7 Å²	169.7	72%	0.715	79%	0.794	S	S	*	*			trans	-80.9	92.4	165.9	179.5	0	0	0	0	107.8	N137 K141	N137-V139 PolarHBondContact O-N 2.8Å; V139-K141 PolarHBondContact O-N 3.34Å
140	H	26.6	Very low	27.5	Very low	163 Å²	163	170.8 Å²	170.8	76%	0.755	80%	0.795	S	S	*	*			trans	-55.1	115.1	156.4	-82.6	11.6	0	0	0	109.3	V138	V138-H140 WeakPolarHBondContact CG1-ND1 3.3Å; V138-H140 PolarHBondContact O-N 3.09Å; V138-H140 VanDerWaalsContact O-N 3.16Å
141	K	29.4	Very low	27.8	Very low	202 Å²	202	173.2 Å²	173.2	88%	0.878	80%	0.797	S	S	*	*			trans	-105.6	101.9	157.6	-104.2	-177.8	179.2	177.5	0	109.6	V139	V139-K141 PolarHBondContact O-N 3.34Å
142	R	28.2	Very low	27.9	Very low	234 Å²	234	169.1 Å²	169.1	88%	0.883	79%	0.79	S	S	*	*			trans	-42.3	138.4	171.5	-70.7	172.1	167.5	167.4	-5.4	112.8	R144	R142-R144 PolarHBondContact O-N 3.19Å
143	H	26.4	Very low	28.2	Very low	175 Å²	175	169.4 Å²	169.4	81%	0.81	80%	0.799	S	S	*	*			trans	-26.1	124.7	153.5	-77.6	-92.4	0	0	0	113.6
144	R	29	Very low	28.6	Very low	240 Å²	240	169.6 Å²	169.6	91%	0.906	81%	0.805	S	S	*	*			trans	-123.7	95	142.6	-91.9	-172.6	172.4	167.9	-1.8	108.2	R142 L146	R142-R144 PolarHBondContact O-N 3.19Å; R144-L146 PolarHBondContact O-N 3.07Å
145	V	26.7	Very low	28.9	Very low	96 Å²	96	166.6 Å²	166.6	58%	0.582	80%	0.799	S	S	*	*			trans	-56.5	117.2	158.4	176	0	0	0	0	107.3
146	L	30.3	Very low	29.2	Very low	158 Å²	158	167.3 Å²	167.3	83%	0.827	80%	0.796	S	S	*	*			trans	-129	97.9	158.7	-89.1	169.6	0	0	0	107.5	R144 R148	R144-L146 PolarHBondContact O-N 3.07Å; L146-R148 PolarHBondContact O-N 3.04Å
147	H	27.7	Very low	29.5	Very low	168 Å²	168	169 Å²	169	78%	0.778	79%	0.794	S	S	*	*			trans	-48.2	119.9	159.6	-67.8	-89	0	0	0	109.4
148	R	28.1	Very low	29.9	Very low	241 Å²	241	170.4 Å²	170.4	91%	0.909	80%	0.796	S	S	*	*			trans	-130.7	99.2	150.9	-84.6	-165.7	173.5	-179	-1.6	109.7	L146	L146-R148 PolarHBondContact O-N 3.04Å
149	S	30.3	Very low	30.4	Very low	103 Å²	103	175.3 Å²	175.3	72%	0.72	80%	0.801	S	S	*	*			trans	-41.4	136.3	164.2	50.8	0	0	0	0	113.6	R151	S149-R151 PolarHBondContact O-N 3.44Å
150	N	27.9	Very low	30.9	Very low	161 Å²	161	181.2 Å²	181.2	86%	0.861	81%	0.811	S	S	*	*			trans	-20	118.3	144.1	-64.9	-30.5	0	0	0	113
151	R	31.3	Very low	31.2	Very low	228 Å²	228	182.4 Å²	182.4	86%	0.86	82%	0.816	S	S	*	*			trans	-160.3	107.1	151.6	-109.8	167.6	-169.2	-166	2.5	110.4	S149	S149-R151 PolarHBondContact O-N 3.44Å
152	S	32.1	Very low	31.5	Very low	108 Å²	108	180.9 Å²	180.9	76%	0.755	81%	0.812	S	S	*	*			trans	-13.6	121.6	158.3	51.5	0	0	0	0	116.8	H154	S152-H154 PolarHBondContact O-N 3.2Å
153	H	33.1	Very low	31.9	Very low	195 Å²	195	178.2 Å²	178.2	90%	0.903	81%	0.807	S	S	*	*			trans	-81.8	89	162	-104.1	-75.2	0	0	0	109.6
154	H	32.8	Very low	32.3	Very low	170 Å²	170	174.5 Å²	174.5	79%	0.787	80%	0.801	S	S	*	*			trans	-134.7	141.9	158.3	-112.3	38.7	0	0	0	107.3	S152	S152-H154 PolarHBondContact O-N 3.2Å
155	E	33.8	Very low	32.5	Very low	149 Å²	149	172.2 Å²	172.2	70%	0.696	80%	0.8	S	S	*	*			trans	71.2	131	179.5	-71.5	177.3	100.4	0	0	114.9
156	R	33.1	Very low	33	Very low	213 Å²	213	172.7 Å²	172.7	80%	0.804	81%	0.808	S	S	*	*			cis	-163.3	134.8	25.3	-117.1	160.2	-156	-168.4	4.6	109.5
157	H	33.2	Very low	33.1	Very low	167 Å²	167	172.3 Å²	172.3	77%	0.773	81%	0.806	S	S	*	*			trans	-55.1	139.5	151.4	-88.4	-100.1	0	0	0	110.2
158	H	35.6	Very low	33.2	Very low	167 Å²	167	170.4 Å²	170.4	77%	0.773	80%	0.802	S	S	*	*				152.1	136.5	128.5	-86.6	-63.7	0	0	0	113.8
159	R	34.7	Very low	33.5	Very low	225 Å²	225	168.8 Å²	168.8	85%	0.849	80%	0.797	S	S	*	*			trans	80.1	107.4	153.1	-67.1	169.2	-177.6	-139.5	2	117.3
160	R	38.2	Very low	33.7	Very low	243 Å²	243	169.9 Å²	169.9	92%	0.917	79%	0.793	S	S	*	*				-178.4	102.1	88	-90.6	-177.5	178.1	177.6	-1.4	111.4
161	H	33.2	Very low	34	Very low	187 Å²	187	169.9 Å²	169.9	87%	0.866	79%	0.794	S	S	*	*			trans	-73.6	164.1	145.6	-91.2	-76.2	0	0	0	109.6
162	Q	36.3	Very low	34	Very low	170 Å²	170	162 Å²	162	79%	0.794	78%	0.783	S	S	*	*			trans	107.8	117.3	178.3	-65.4	-179.5	15.3	0	0	110.7
163	K	35.5	Very low	34.2	Very low	178 Å²	178	163.8 Å²	163.8	77%	0.774	78%	0.784	S	S	*	*			cis	-170	139.8	36.7	-120.8	164.3	-178.2	-177.3	0	111.6
164	S	35.9	Very low	34.2	Very low	98 Å²	98	162.7 Å²	162.7	69%	0.685	78%	0.779	S	S	*	*			trans	48	114.4	140.4	55.7	0	0	0	0	120.6
165	Q	32.8	Very low	34.2	Very low	191 Å²	191	159.1 Å²	159.1	89%	0.893	77%	0.773	S	S	*	*				63.8	114.2	69.8	-76.3	-173.3	-8.9	0	0	115.9
166	S	37.2	Very low	34.2	Very low	107 Å²	107	156.7 Å²	156.7	75%	0.748	77%	0.772	S	S	*	*			trans	151.5	105.3	136.4	61.9	0	0	0	0	109.9
167	L	31.6	Very low	34.2	Very low	149 Å²	149	153.3 Å²	153.3	78%	0.78	77%	0.766	S	S	*	*				79.3	114	83.1	-80.8	155.6	0	0	0	114.9
168	D	30.8	Very low	34.2	Very low	128 Å²	128	153.3 Å²	153.3	68%	0.684	77%	0.766	S	S	*	*			trans	83.8	148.9	134.1	-63.1	-21.3	0	0	0	125.3
169	Y	33.6	Very low	33.9	Very low	208 Å²	208	149.5 Å²	149.5	82%	0.816	76%	0.758	S	S	*	*			trans	88.9	106.4	166.4	-82.8	-92.7	0	0	0	118
170	I	36	Very low	34	Very low	125 Å²	125	147.5 Å²	147.5	64%	0.641	76%	0.758	S	S	*	*			cis	83	126.5	48.8	-64.3	-177.6	0	0	0	114.6
171	N	33.4	Very low	33.5	Very low	162 Å²	162	141.1 Å²	141.1	87%	0.866	75%	0.751	S	S	*	*			trans	75.4	138.7	162.2	-67	-17.6	0	0	0	118.1
172	G	31.7	Very low	33.9	Very low	62 Å²	62	137.5 Å²	137.5	64%	0.639	74%	0.744	S	S	*	*			cis	168.6	177	4.1	0	0	0	0	0	111.1
173	L	36.2	Very low	33.8	Very low	146 Å²	146	135.3 Å²	135.3	76%	0.764	74%	0.742	S	S	*	*			trans	78.6	108.2	154.2	-64	156.1	0	0	0	116.9
174	Q	33.5	Very low	33.7	Very low	172 Å²	172	136.6 Å²	136.6	80%	0.804	74%	0.742	S	S	*	*				81.9	138.7	95.7	-84.3	-178.8	-3	0	0	111.2
175	S	32.2	Very low	33.7	Very low	95 Å²	95	143.5 Å²	143.5	66%	0.664	75%	0.753	S	S	*	*			cis	175.1	155.6	15.9	33.1	0	0	0	0	107.9
176	S	33.3	Very low	33.8	Very low	97 Å²	97	141.1 Å²	141.1	68%	0.678	74%	0.742	S	S	*	*			trans	58.3	149.7	146.2	-89	0	0	0	0	119.5
177	E	32.9	Very low	33.7	Very low	143 Å²	143	141.3 Å²	141.3	67%	0.668	74%	0.739	S	S	*	*			cis	-177.4	155.8	0.5	-116.2	166.3	137.3	0	0	106.1
178	Q	33.1	Very low	33.9	Very low	167 Å²	167	141 Å²	141	78%	0.78	74%	0.736	S	S	*	*			trans	61.8	147.6	145	-70.9	173.6	8.1	0	0	119.1
179	S	30.2	Very low	34.1	Very low	86 Å²	86	143.7 Å²	143.7	60%	0.601	75%	0.745	S	S	*	*			cis	178.1	165.1	-12.1	54.4	0	0	0	0	105.6
180	Q	35.7	Very low	34	Very low	183 Å²	183	143.1 Å²	143.1	86%	0.855	75%	0.747	S	S	*	*			trans	91.1	106	158.3	-57.4	177	20.5	0	0	120.2
181	S	29.2	Very low	34.1	Very low	109 Å²	109	142.4 Å²	142.4	76%	0.762	75%	0.753	S	S	*	*			trans	-67.1	-168.3	151	56.3	0	0	0	0	112.6
182	P	40	Very low	34	Very low	111 Å²	111	143.9 Å²	143.9	72%	0.721	75%	0.751	S	S	*	*			cis	-131.3	-166.1	-24.5	24.2	0.5	0	0	0	112.3
183	V	35.5	Very low	33.9	Very low	125 Å²	125	148.1 Å²	148.1	76%	0.758	76%	0.759	S	S	*	*			trans	129.1	97.8	145.3	-179.3	0	0	0	0	116
184	R	32.4	Very low	33.7	Very low	204 Å²	204	145.9 Å²	145.9	77%	0.77	76%	0.762	S	S	*	*				64.2	120.1	119.9	-144.5	178.1	-163.3	136.4	2.8	120.8
185	R	37.3	Very low	33.7	Very low	243 Å²	243	147.2 Å²	147.2	92%	0.917	77%	0.765	S	S	*	*				-167	138.2	114.1	-105	174.1	-173.2	164.5	3.1	112.9
186	E	34.3	Very low	33.7	Very low	142 Å²	142	153.7 Å²	153.7	66%	0.664	78%	0.776	S	S	*	*			trans	-62.4	159.3	174.5	-65	148.5	-170.9	0	0	110.7
187	T	36	Very low	33.7	Very low	111 Å²	111	158.8 Å²	158.8	68%	0.681	79%	0.787	S	S	*	*				-179.3	144.1	71.8	25.3	0	0	0	0	112.3
188	I	35.1	Very low	33.8	Very low	142 Å²	142	161.1 Å²	161.1	73%	0.728	79%	0.794	S	S	*	*			trans	69.2	121.4	141	-56	161.6	0	0	0	115.6
189	E	35.6	Very low	33.7	Very low	184 Å²	184	158.8 Å²	158.8	86%	0.86	79%	0.794	S	S	*	*				-170.7	166	60.1	-145.1	155.6	-148.3	0	0	113.5
190	K	31.5	Very low	33.6	Very low	197 Å²	197	161.4 Å²	161.4	86%	0.857	81%	0.806	S	S	*	*			trans	-76	142.4	-164.9	-61.4	159.2	176.6	171.1	0	114.9
191	S	36.8	Very low	33.4	Very low	110 Å²	110	157.6 Å²	157.6	77%	0.769	80%	0.795	S	S	*	*				-178.5	117.8	129.5	44.9	0	0	0	0	115
192	K	31.9	Very low	33.3	Very low	193 Å²	193	157.8 Å²	157.8	84%	0.839	80%	0.796	S	S	*	*			trans	48.1	130.9	133.2	-60.3	-179.2	179.2	178.4	0	121.1
193	N	30.1	Very low	32.8	Very low	151 Å²	151	161.1 Å²	161.1	81%	0.807	80%	0.8	S	S	*	*			trans	110.9	73.9	152.8	-56.4	-23	0	0	0	116.8	K195	N193-K195 PolarHBondContact O-N 3.1Å
194	A	31.3	Very low	32.4	Very low	99 Å²	99	164.5 Å²	164.5	82%	0.818	81%	0.807	S	S	*	*			trans	-73.5	112.4	159	0	0	0	0	0	109.7	Y196	A194-Y196 PolarHBondContact O-N 3.23Å
195	K	33.2	Very low	32.2	Very low	199 Å²	199	160.3 Å²	160.3	87%	0.865	81%	0.809	S	S	*	*			trans	-60.2	117.4	178.9	-71.7	168.5	175.3	171.9	0	111.5	N193 K197	N193-K195 PolarHBondContact O-N 3.1Å; K195-K197 PolarHBondContact O-N 3.01Å
196	Y	31.6	Very low	31.6	Very low	231 Å²	231	154.2 Å²	154.2	91%	0.906	80%	0.804	S	S	*	*			trans	-61	114.9	159.2	-78	-88.9	0	0	0	109.5	A194 K198	A194-Y196 PolarHBondContact O-N 3.23Å; Y196-K198 PolarHBondContact O-N 3.49Å
197	K	34.2	Very low	31.6	Very low	205 Å²	205	154.2 Å²	154.2	89%	0.891	81%	0.814	S	S	*	*			trans	-71.7	110.1	168.1	-78.8	179.4	175.4	176.2	0	108.2	K195	K195-K197 PolarHBondContact O-N 3.01Å
198	K	34.4	Very low	31.3	Very low	191 Å²	191	155.6 Å²	155.6	83%	0.83	82%	0.822	S	S	*	*			trans	-64	139.8	166.9	-76.3	-176.8	175.9	-177.3	0	109.6	Y196 V200	Y196-K198 PolarHBondContact O-N 3.49Å; K198-V200 PolarHBondContact O-N 2.74Å
199	P	30.5	Very low	31.1	Very low	118 Å²	118	158.6 Å²	158.6	77%	0.766	83%	0.826	S	S	*	*			trans	-65.8	132.7	174	27.1	-30.2	0	0	0	109.4	T201	P199-T201 PolarHBondContact O-N 3.25Å
200	V	28.3	Very low	31	Very low	142 Å²	142	154.9 Å²	154.9	86%	0.861	81%	0.812	S	S	*	*			trans	-71	103.4	175.9	175.8	0	0	0	0	107.9	K198 S202	K198-V200 PolarHBondContact O-N 2.74Å; V200-S202 PolarHBondContact O-N 3.48Å
201	T	31.9	Very low	31.4	Very low	102 Å²	102	149.6 Å²	149.6	63%	0.626	80%	0.797	S	S	*	*			trans	-74.1	111.1	162.9	48.8	0	0	0	0	108.1	P199 F203	P199-T201 PolarHBondContact O-N 3.25Å; T201-F203 PolarHBondContact O-N 2.66Å; T201-F203 WeakPolarHBondContact OG1-CE2 3.22Å
202	S	28.1	Very low	31.2	Very low	113 Å²	113	153.9 Å²	153.9	79%	0.79	80%	0.798	S	S	*	*			trans	-66.7	108.3	172.6	52.3	0	0	0	0	110.1	V200	V200-S202 PolarHBondContact O-N 3.48Å
203	F	28.3	Very low	31.6	Very low	181 Å²	181	148.1 Å²	148.1	79%	0.794	78%	0.782	S	S	*	*			trans	-93.4	113.1	166.9	-78.2	-85.9	0	0	0	109.1	T201	T201-F203 PolarHBondContact O-N 2.66Å; T201-F203 WeakPolarHBondContact OG1-CE2 3.22Å
204	Q	26.6	Very low	31.9	Very low	196 Å²	196	148 Å²	148	92%	0.916	78%	0.781	S	S	*	*			trans	-115.9	106.9	159.3	-94.2	-173	-15.8	0	0	108
205	S	29.2	Very low	32	Very low	116 Å²	116	150.4 Å²	150.4	81%	0.811	78%	0.776	S	S	*	*			trans	-152.6	94.5	153.1	66	0	0	0	0	108.6
206	S	24.9	Very low	31.8	Very low	116 Å²	116	146.8 Å²	146.8	81%	0.811	76%	0.762	S	S	*	*			trans	-100.1	102.4	168.2	52.9	0	0	0	0	108.5
207	V	33.4	Very low	31.7	Very low	142 Å²	142	145 Å²	145	86%	0.861	76%	0.759	S	S	*	*			trans	-145.1	124.1	154.9	-174.8	0	0	0	0	108.2
208	T	29.8	Very low	31.4	Very low	140 Å²	140	144.3 Å²	144.3	86%	0.859	75%	0.751	S	S	*	*			trans	-65.6	130.6	-179.4	24.5	0	0	0	0	112.4
209	Y	30.9	Very low	31.1	Very low	205 Å²	205	140.9 Å²	140.9	80%	0.804	75%	0.745	S	S	*	*			trans	-80.3	131.4	179.4	-179.7	-101	0	0	0	111.3	P211	Y209-P211 HydrophobicContact CD1-CB 4.29Å; Y209-P211 HydrophobicContact CE1-CB 3.8Å
210	D	34.9	Very low	30.9	Very low	105 Å²	105	142.2 Å²	142.2	56%	0.561	75%	0.745	S	S	*	*			trans	-102.5	112.8	167.4	-174.2	-8.5	0	0	0	109.5	Y212	D210-Y212 PolarHBondContact O-N 3.34Å; D210-Y212 PolarHBondContact OD1-N 2.81Å; D210-Y212 VanDerWaalsContact OD1-N 3.1Å
211	P	38.2	Very low	30.8	Very low	86 Å²	86	139 Å²	139	56%	0.558	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-0.8	-177.6	25.9	-30.3	0	0	0	115.4	Y209	Y209-P211 HydrophobicContact CD1-CB 4.29Å; Y209-P211 HydrophobicContact CE1-CB 3.8Å
212	Y	34.6	Very low	30.4	Very low	201 Å²	201	145 Å²	145	79%	0.788	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	-0.9	-174.9	-65.9	-79.3	0	0	0	115.4	D210 N214	D210-Y212 PolarHBondContact O-N 3.34Å; D210-Y212 PolarHBondContact OD1-N 2.81Å; D210-Y212 VanDerWaalsContact OD1-N 3.1Å; Y212-N214 PolarHBondContact O-N 2.98Å
213	S	39.1	Very low	30.5	Very low	71 Å²	71	143.2 Å²	143.2	50%	0.497	72%	0.721	S	S	.	*			trans	-85.8	100.3	177.4	154.4	0	0	0	0	111.2	E215	S213-E215 PolarHBondContact O-N 3.28Å; S213-E215 VanDerWaalsContact O-N 3.14Å
214	N	36.3	Very low	30.3	Very low	149 Å²	149	141.5 Å²	141.5	80%	0.797	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	5.1	179.6	-86	-29.7	0	0	0	115.5	Y212	Y212-N214 PolarHBondContact O-N 2.98Å
215	E	33.7	Very low	30.4	Very low	150 Å²	150	139 Å²	139	70%	0.701	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	4.8	-167.2	-68.8	-168.3	162.2	0	0	117.1	S213	S213-E215 PolarHBondContact O-N 3.28Å; S213-E215 VanDerWaalsContact O-N 3.14Å
216	Q	29.7	Very low	30.3	Very low	122 Å²	122	141 Å²	141	57%	0.57	71%	0.712	S	S	*	*			trans	-140.6	80.2	-178.6	-67.3	-173.5	-0.1	0	0	113.3	R218	Q216-R218 PolarHBondContact O-N 2.8Å
217	K	28.9	Very low	30.4	Very low	193 Å²	193	139.1 Å²	139.1	84%	0.839	70%	0.703	S	S	*	*			trans	-85.2	89	166.8	-70.5	-175.9	-179.7	179.5	0	109.9
218	R	28.3	Very low	30.2	Very low	192 Å²	192	138.4 Å²	138.4	73%	0.725	70%	0.701	S	S	*	*			trans	-71.7	124.2	170.2	-71.8	-173.8	-172.4	-157.6	0.9	110.2	Q216	Q216-R218 PolarHBondContact O-N 2.8Å
219	V	28.4	Very low	30.1	Very low	118 Å²	118	134.6 Å²	134.6	72%	0.715	69%	0.69	S	S	*	*			trans	-91	121.8	164.3	178.5	0	0	0	0	107.4
220	I	25.1	Very low	30.1	Very low	147 Å²	147	130.8 Å²	130.8	75%	0.754	69%	0.691	S	S	*	*			trans	-94.4	108	175.7	-60.1	169.9	0	0	0	107.1	R222	I220-R222 HydrophobicContact CG2-CG 4.44Å
221	S	25.8	Very low	30	Very low	73 Å²	73	130.4 Å²	130.4	51%	0.51	70%	0.702	S	S	.	*			trans	-85.9	123.3	161.8	61.6	0	0	0	0	108.6	L223	S221-L223 PolarHBondContact O-N 3.24Å
222	R	25	Very low	29.7	Very low	230 Å²	230	133.7 Å²	133.7	87%	0.868	71%	0.71	S	S	*	*			trans	-84.2	101.5	174.8	-76.4	-171.3	170.7	177	-0.6	109.1	I220 N224	I220-R222 HydrophobicContact CG2-CG 4.44Å; R222-N224 PolarHBondContact O-N 3.4Å
223	L	28.7	Very low	29.5	Very low	75 Å²	75	129 Å²	129	39%	0.393	71%	0.706	S	S	.	*			trans	-77.2	111.4	162.2	-116.6	135.1	0	0	0	107.9	S221 L225	S221-L223 PolarHBondContact O-N 3.24Å; L223-L225 VanDerWaalsContact C-N 3.32Å; L223-L225 PolarHBondContact O-N 3.02Å
224	N	25.4	Very low	29.2	Very low	144 Å²	144	133.8 Å²	133.8	77%	0.77	72%	0.718	S	S	*	*			trans	-73.1	90.9	168.1	-79.3	-24.8	0	0	0	108.1	R222 I226	R222-N224 PolarHBondContact O-N 3.4Å; N224-I226 PolarHBondContact O-N 3.45Å
225	L	28.4	Very low	29.1	Very low	144 Å²	144	133.7 Å²	133.7	75%	0.754	72%	0.718	S	S	*	*			trans	-66.1	100.4	162.6	-76.2	158.8	0	0	0	107.5	L223 A227	L223-L225 VanDerWaalsContact C-N 3.32Å; L223-L225 PolarHBondContact O-N 3.02Å; L225-A227 VanDerWaalsContact C-N 3.29Å; L225-A227 PolarHBondContact O-N 2.86Å
226	I	26.5	Very low	28.9	Very low	159 Å²	159	134.7 Å²	134.7	82%	0.815	73%	0.727	S	S	*	*			trans	-70.2	96.3	164.6	-58.6	174.7	0	0	0	105.3	N224	N224-I226 PolarHBondContact O-N 3.45Å
227	A	26.4	Very low	29.1	Very low	76 Å²	76	136.4 Å²	136.4	63%	0.628	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-56.9	135	168.3	0	0	0	0	0	108.2	L225 G229	L225-A227 VanDerWaalsContact C-N 3.29Å; L225-A227 PolarHBondContact O-N 2.86Å; A227-G229 PolarHBondContact O-N 3.42Å; A227-G229 VanDerWaalsContact O-N 3.16Å
228	P	29.2	Very low	29.2	Very low	126 Å²	126	134.9 Å²	134.9	82%	0.818	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-57.7	126.5	173.5	23.8	-30.1	0	0	0	107.7
229	G	29.4	Very low	29.4	Very low	61 Å²	61	132.6 Å²	132.6	63%	0.629	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-54.3	150.5	179.4	0	0	0	0	0	110.8	A227 A231	A227-G229 PolarHBondContact O-N 3.42Å; A227-G229 VanDerWaalsContact O-N 3.16Å; G229-A231 PolarHBondContact O-N 3.17Å
230	P	31	Very low	29.6	Very low	125 Å²	125	135.9 Å²	135.9	81%	0.812	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-56.8	128.3	179.8	24.6	-32.3	0	0	0	109	Q232	P230-Q232 PolarHBondContact O-N 3.36Å
231	A	31.7	Very low	30.1	Very low	97 Å²	97	135 Å²	135	80%	0.802	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-50.9	117.3	172.4	0	0	0	0	0	108.2	G229 S233	G229-A231 PolarHBondContact O-N 3.17Å; A231-S233 PolarHBondContact O-N 2.72Å
232	Q	32.4	Very low	30.4	Very low	155 Å²	155	138.9 Å²	138.9	72%	0.724	76%	0.759	S	S	*	*			trans	-62.1	110	170.6	-71.7	178.1	9.2	0	0	106.5	P230 F234	P230-Q232 PolarHBondContact O-N 3.36Å; Q232-F234 VanDerWaalsContact C-N 3.29Å; Q232-F234 HydrophobicContact CB-CD2 4.31Å; Q232-F234 HydrophobicContact CB-CE2 4.17Å; Q232-F234 PolarHBondContact O-N 3.46Å
233	S	31.1	Very low	30.8	Very low	101 Å²	101	132.5 Å²	132.5	71%	0.706	75%	0.75	S	S	*	*			trans	-60.9	98.6	160.3	50.7	0	0	0	0	106.6	A231 D235	A231-S233 PolarHBondContact O-N 2.72Å; S233-D235 VanDerWaalsContact C-N 3.25Å; S233-D235 PolarHBondContact O-N 2.84Å
234	F	32.1	Very low	30.9	Very low	172 Å²	172	134 Å²	134	75%	0.754	76%	0.762	S	S	*	*			trans	-70.1	93.4	162.9	-84.7	-87.7	0	0	0	106.7	Q232 L236	Q232-F234 VanDerWaalsContact C-N 3.29Å; Q232-F234 HydrophobicContact CB-CD2 4.31Å; Q232-F234 HydrophobicContact CB-CE2 4.17Å; Q232-F234 PolarHBondContact O-N 3.46Å; F234-L236 PolarHBondContact O-N 3.4Å
235	D	34.2	Very low	31.3	Very low	147 Å²	147	134.9 Å²	134.9	79%	0.786	77%	0.767	S	S	*	*			trans	-60.2	116.1	156.1	-83.5	-32.1	0	0	0	106.7	S233 N237	S233-D235 VanDerWaalsContact C-N 3.25Å; S233-D235 PolarHBondContact O-N 2.84Å; D235-N237 PolarHBondContact O-N 2.98Å; D235-N237 VanDerWaalsContact O-N 3.08Å
236	L	29.9	Very low	31.5	Very low	171 Å²	171	131.2 Å²	131.2	90%	0.895	76%	0.764	S	S	*	*			trans	-54	110.2	169.8	-68.3	160.9	0	0	0	107.7	F234	F234-L236 PolarHBondContact O-N 3.4Å
237	N	32.2	Very low	31.8	Very low	159 Å²	159	133.4 Å²	133.4	85%	0.85	77%	0.768	S	S	*	*			trans	-127.2	123.2	156.5	-148.7	14.4	0	0	0	108.9	D235	D235-N237 PolarHBondContact O-N 2.98Å; D235-N237 VanDerWaalsContact O-N 3.08Å
238	E	31.1	Very low	32	Very low	160 Å²	160	138.8 Å²	138.8	75%	0.748	78%	0.78	S	S	*	*			trans	-71.1	147.5	-174.8	-57.8	175.1	160.9	0	0	109.6
239	N	33.5	Very low	32.1	Very low	145 Å²	145	135.7 Å²	135.7	78%	0.775	77%	0.77	S	S	*	*			trans	99.9	140.6	161.2	-48.2	-47.7	0	0	0	118.4
240	E	32.5	Very low	32.2	Very low	186 Å²	186	140.1 Å²	140.1	87%	0.869	79%	0.785	S	S	*	*			trans	83.1	88.9	170.9	-69.3	-177	135.1	0	0	117.1
241	V	35.8	Very low	32.5	Very low	130 Å²	130	138.6 Å²	138.6	79%	0.788	78%	0.778	S	S	*	*				72.1	95.8	77.4	-178.5	0	0	0	0	113.4
242	M	31.3	Very low	32.9	Very low	154 Å²	154	144.5 Å²	144.5	76%	0.759	78%	0.779	S	S	*	*			trans	47.6	118.9	133.3	-65.3	-70.3	-69.3	0	0	120.9
243	S	33.5	Very low	33.3	Very low	95 Å²	95	144 Å²	144	66%	0.664	78%	0.782	S	S	*	*				155.9	101.5	110	-69.3	0	0	0	0	110
244	T	32.1	Very low	33.7	Very low	106 Å²	106	143.9 Å²	143.9	65%	0.65	78%	0.776	S	S	*	*				64.1	107.3	103.4	60.1	0	0	0	0	114.9
245	D	33.5	Very low	34.1	Very low	164 Å²	164	141.5 Å²	141.5	88%	0.877	77%	0.767	S	S	*	*				167.2	135.4	109	-85.3	-22.8	0	0	0	111.7
246	G	31.3	Very low	34.5	Very low	67 Å²	67	142.4 Å²	142.4	69%	0.691	77%	0.765	S	S	*	*			trans	134.8	94.1	155.9	0	0	0	0	0	118.1
247	F	32.8	Very low	34.7	Very low	205 Å²	205	142.8 Å²	142.8	90%	0.899	76%	0.755	S	S	*	*			trans	87.5	119.5	142.5	-76.9	-91.3	0	0	0	122.7
248	H	32.6	Very low	35	Very low	189 Å²	189	140.7 Å²	140.7	88%	0.875	74%	0.744	S	S	*	*			trans	-47.1	157.5	165.2	-62.5	-93.5	0	0	0	113.8
249	G	30.5	Very low	35.5	Very low	60 Å²	60	139 Å²	139	62%	0.619	74%	0.74	S	S	*	*			cis	-174.2	-176.2	14.3	0	0	0	0	0	109.5
250	T	30.8	Very low	35.9	Very low	155 Å²	155	135.7 Å²	135.7	95%	0.951	73%	0.728	S	S	*	*	S	Bend	trans	66	59	174.8	60.9	0	0	0	0	118
251	S	38.3	Very low	36.4	Very low	93 Å²	93	134.5 Å²	134.5	65%	0.65	72%	0.722	S	S	*	*			trans	-156.4	60.7	156.9	-171.1	0	0	0	0	112.4
252	R	38.9	Very low	36.4	Very low	220 Å²	220	135.2 Å²	135.2	83%	0.83	72%	0.722	S	S	*	*	S	Bend	trans	-124.5	-3.5	177.5	-92.8	-176.2	177.9	175.1	0.1	115.8
253	N	41.9	Very low	36.5	Very low	145 Å²	145	133.3 Å²	133.3	78%	0.775	72%	0.719	S	S	*	*	S	Bend	trans	-100.1	-13.4	179.1	-79.7	-9.5	0	0	0	115.1
254	V	38.8	Very low	36.5	Very low	98 Å²	98	138.4 Å²	138.4	59%	0.594	73%	0.729	S	S	*	*	H	α-helix	trans	-88	-31	177.1	-175.9	0	0	0	0	111.7	K256 L258	V254-K256 PolarHBondContact O-N 2.93Å; V254-L258 HydrophobicContact CG1-CD1 4.38Å
255	Q	40.7	Very low	36.6	Very low	122 Å²	122	140.2 Å²	140.2	57%	0.57	74%	0.74	S	S	*	*	H	α-helix	trans	-74.5	-23.6	179.2	-134.4	80.7	12.3	0	0	114	N259	Q255-N259 PolarHBondContact O-ND2 3.46Å
256	K	41.7	Very low	36.5	Very low	167 Å²	167	139.4 Å²	139.4	73%	0.726	74%	0.735	S	S	*	*	H	α-helix	trans	-83	-24.3	176.9	-86.8	-175.1	174.8	-177	0	113.4	V254 S260	V254-K256 PolarHBondContact O-N 2.93Å; K256-S260 PolarHBondContact O-OG 3.29Å
257	Y	35.7	Very low	36.4	Very low	178 Å²	178	144 Å²	144	70%	0.698	74%	0.743	S	S	*	*	H	α-helix	trans	-79.5	-31.7	177.7	-143.8	-92.3	0	0	0	112.2	S260	Y257-S260 PolarHBondContact O-OG 3.5Å
258	L	38.4	Very low	36.4	Very low	116 Å²	116	139.5 Å²	139.5	61%	0.607	74%	0.737	S	S	*	*	H	α-helix	trans	-78.9	-21.3	175.8	-74.4	165.1	0	0	0	113.6	V254	V254-L258 HydrophobicContact CG1-CD1 4.38Å
259	N	41	Very low	36.4	Very low	124 Å²	124	139.7 Å²	139.7	66%	0.663	74%	0.739	S	S	*	*	S	Bend	trans	-94.2	-3.3	178.3	-74.6	-9.3	0	0	0	114	Q255	Q255-N259 PolarHBondContact O-ND2 3.46Å
260	S	41.8	Very low	36.4	Very low	75 Å²	75	145.8 Å²	145.8	52%	0.524	76%	0.756	S	S	.	*	S	Bend	trans	-99.7	-3	-179.3	63	0	0	0	0	115.1	K256 Y257	K256-S260 PolarHBondContact O-OG 3.29Å; Y257-S260 PolarHBondContact O-OG 3.5Å
261	Q	43	Very low	36.5	Very low	161 Å²	161	147.4 Å²	147.4	75%	0.752	75%	0.75	S	S	*	*	S	Bend	trans	-106.4	-3.1	175.9	-72.8	-148.6	-9.4	0	0	115
262	N	36.1	Very low	36	Very low	146 Å²	146	150.8 Å²	150.8	78%	0.781	76%	0.755	S	S	*	*			trans	-109.3	52.3	-176.9	-80.5	-17	0	0	0	113.4
263	T	33.9	Very low	35.6	Very low	114 Å²	114	145.8 Å²	145.8	70%	0.699	75%	0.754	S	S	*	*			trans	-126.4	120.4	166.3	53.1	0	0	0	0	109.6
264	K	33.4	Very low	34.9	Very low	201 Å²	201	149.5 Å²	149.5	87%	0.874	76%	0.757	S	S	*	*			trans	90.2	72.1	178	-53.4	177.8	179.5	-178.5	0	116.7
265	V	33.7	Very low	34.5	Very low	145 Å²	145	151.2 Å²	151.2	88%	0.879	76%	0.762	S	S	*	*			trans	-142.8	134.4	136.2	-175.8	0	0	0	0	108.2
266	D	30.3	Very low	34	Very low	146 Å²	146	154.2 Å²	154.2	78%	0.781	77%	0.774	S	S	*	*			trans	-69.1	138.3	-165.6	-148.6	-10	0	0	0	113.3	S268	D266-S268 PolarHBondContact O-N 2.95Å
267	L	29.7	Very low	33.5	Very low	164 Å²	164	153.6 Å²	153.6	86%	0.859	78%	0.778	S	S	*	*	S	Bend	trans	-79.2	98	176.8	-91.5	86.7	0	0	0	109.3
268	S	32.2	Very low	33.1	Very low	111 Å²	111	151 Å²	151	78%	0.776	78%	0.783	S	S	*	*			trans	-156.9	-2.7	165.8	-76.9	0	0	0	0	118.3	D266	D266-S268 PolarHBondContact O-N 2.95Å
269	E	32.9	Very low	32.9	Very low	193 Å²	193	152.1 Å²	152.1	90%	0.902	79%	0.788	S	S	*	*			trans	-125.3	22.8	-171	-77.1	-168.3	151	0	0	117.7	K271	E269-K271 VanDerWaalsContact C-N 3.33Å; E269-K271 PolarHBondContact O-N 3.36Å
270	L	30.2	Very low	32.3	Very low	187 Å²	187	156 Å²	156	98%	0.979	80%	0.798	S	S	*	*			trans	-82.5	75	172	-91.8	151.6	0	0	0	112.2
271	K	33.3	Very low	31.9	Very low	190 Å²	190	158.2 Å²	158.2	83%	0.826	81%	0.809	S	S	*	*			trans	-98.6	106.2	162.9	-97.5	-178.1	177.7	174.7	0	111	E269	E269-K271 VanDerWaalsContact C-N 3.33Å; E269-K271 PolarHBondContact O-N 3.36Å
272	E	29.4	Very low	31.2	Very low	163 Å²	163	158 Å²	158	76%	0.762	81%	0.813	S	S	*	*			trans	41.1	92.9	139.8	-63.5	-174.8	136.5	0	0	118.9
273	S	29.9	Very low	31.3	Very low	115 Å²	115	160.7 Å²	160.7	80%	0.804	82%	0.818	S	S	*	*			trans	-120.5	80.9	149.9	61.9	0	0	0	0	110	L275	S273-L275 PolarHBondContact O-N 3.37Å
274	R	26.9	Very low	31.2	Very low	224 Å²	224	164.1 Å²	164.1	85%	0.845	82%	0.823	S	S	*	*			trans	-71.3	114.5	164.1	-77.7	177.8	165.3	174.1	-1.5	108.8
275	L	30	Very low	31.3	Very low	134 Å²	134	162.2 Å²	162.2	70%	0.702	82%	0.823	S	S	*	*			trans	-130.8	120.8	169.7	-81	176.3	0	0	0	111.2	S273	S273-L275 PolarHBondContact O-N 3.37Å
276	F	29.7	Very low	31.2	Very low	184 Å²	184	166.2 Å²	166.2	81%	0.807	82%	0.822	S	S	*	*			trans	81.7	75.8	163.5	-50.7	-69.3	0	0	0	119.8
277	L	31.9	Very low	31.6	Very low	155 Å²	155	166.1 Å²	166.1	81%	0.812	82%	0.821	S	S	*	*			trans	-126.9	131.9	144.9	-84.2	164.1	0	0	0	108.7	I279	L277-I279 PolarHBondContact O-N 2.92Å
278	P	27.9	Very low	31.8	Very low	124 Å²	124	166.6 Å²	166.6	81%	0.805	82%	0.817	S	S	*	*			trans	-76.4	95	175.9	30.3	-29.5	0	0	0	108.8	K280	P278-K280 PolarHBondContact O-N 3.14Å
279	I	33.6	Very low	32	Very low	138 Å²	138	170.6 Å²	170.6	71%	0.708	82%	0.816	S	S	*	*			trans	-76.6	109.4	175	-57.6	176.7	0	0	0	108.3	L277 T281	L277-I279 PolarHBondContact O-N 2.92Å; I279-T281 HydrophobicContact CG2-CG2 3.99Å; I279-T281 PolarHBondContact O-N 2.94Å; I279-T281 VanDerWaalsContact O-N 3.09Å
280	K	28.9	Very low	32.1	Very low	205 Å²	205	169.3 Å²	169.3	89%	0.891	81%	0.807	S	S	*	*			trans	-60.2	104.6	166.4	-68.6	177	178.1	176.4	0	109.2	P278	P278-K280 PolarHBondContact O-N 3.14Å
281	T	33.9	Very low	32.2	Very low	122 Å²	122	166.7 Å²	166.7	75%	0.748	79%	0.794	S	S	*	*			trans	-107.5	99.2	165.7	56	0	0	0	0	110.4	I279 K283	I279-T281 HydrophobicContact CG2-CG2 3.99Å; I279-T281 PolarHBondContact O-N 2.94Å; I279-T281 VanDerWaalsContact O-N 3.09Å; T281-K283 PolarHBondContact O-N 3.42Å
282	N	28	Very low	32.4	Very low	157 Å²	157	166.5 Å²	166.5	84%	0.84	80%	0.796	S	S	*	*			trans	-76.2	101.2	170.9	-154.2	-4	0	0	0	107.8
283	K	37.8	Very low	32.4	Very low	202 Å²	202	163.5 Å²	163.5	88%	0.878	79%	0.793	S	S	*	*			trans	-137.9	109.3	166.9	-82.1	-169.9	178.3	174.9	0	111.7	T281	T281-K283 PolarHBondContact O-N 3.42Å
284	K	31.2	Very low	32.8	Very low	186 Å²	186	169.7 Å²	169.7	81%	0.809	80%	0.799	S	S	*	*			trans	-56.5	140.5	165.6	-63.9	169.5	176.5	173.7	0	110.4
285	N	35.8	Very low	32.9	Very low	161 Å²	161	169.4 Å²	169.4	86%	0.861	80%	0.798	S	S	*	*			trans	-175.5	90.9	145.8	-88	-17.5	0	0	0	106.8
286	R	33	Very low	33.1	Very low	230 Å²	230	167.5 Å²	167.5	87%	0.868	80%	0.796	S	S	*	*				33.7	100.9	91.3	-79.9	-170.6	177.6	178.8	0.2	114.1
287	N	37.8	Very low	33	Very low	143 Å²	143	165.7 Å²	165.7	77%	0.765	79%	0.79	S	S	*	*				178.4	107.2	119.3	-82.1	-22.5	0	0	0	107.9
288	K	33.5	Very low	33.1	Very low	175 Å²	175	167.4 Å²	167.4	76%	0.761	79%	0.787	S	S	*	*				54.7	112.7	99.6	-79.7	-176.4	177	177.7	0	112.2
289	Y	36.7	Very low	33.2	Very low	195 Å²	195	168.6 Å²	168.6	77%	0.765	78%	0.781	S	S	*	*				-174.9	119.5	107.5	-94.1	-73.7	0	0	0	111.6
290	K	35.3	Very low	33	Very low	165 Å²	165	165.8 Å²	165.8	72%	0.717	77%	0.774	S	S	*	*			trans	52.1	110.6	137	-72	178.9	-176.4	178.9	0	119.2
291	N	32.1	Very low	33.2	Very low	133 Å²	133	163.4 Å²	163.4	71%	0.711	77%	0.766	S	S	*	*				70.2	113.6	89.8	-73.5	-9	0	0	0	113.5
292	H	36.5	Very low	33.1	Very low	186 Å²	186	164.3 Å²	164.3	86%	0.861	76%	0.761	S	S	*	*				-170.6	126.4	105.1	-94.8	-60.1	0	0	0	112.7
293	S	30.7	Very low	33.1	Very low	99 Å²	99	164.2 Å²	164.2	69%	0.692	76%	0.756	S	S	*	*			trans	-71.2	150.7	168.3	53.4	0	0	0	0	113.5
294	R	37.2	Very low	32.8	Very low	245 Å²	245	164 Å²	164	93%	0.925	76%	0.755	S	S	*	*			trans	175.6	111	147.2	-98	168.1	-175.7	-158.3	1.1	105.1
295	R	29.2	Very low	32.6	Very low	218 Å²	218	162 Å²	162	82%	0.823	75%	0.753	S	S	*	*			cis	58.3	101.4	40.4	-150.4	-179.8	-171.3	-177	2.4	114.3
296	S	33.6	Very low	32.4	Very low	95 Å²	95	161.9 Å²	161.9	66%	0.664	75%	0.746	S	S	*	*			trans	173	106.8	150.3	-178.4	0	0	0	0	105.3
297	E	28.7	Very low	32.1	Very low	145 Å²	145	155.4 Å²	155.4	68%	0.678	74%	0.736	S	S	*	*				54.6	149.2	71.1	-77.1	172.8	-163.7	0	0	113.7
298	Y	34.2	Very low	31.6	Very low	191 Å²	191	153.5 Å²	153.5	75%	0.749	73%	0.734	S	S	*	*			trans	94.2	135.5	-173.7	-66.6	-86.2	0	0	0	115.2
299	E	30.6	Very low	31.5	Very low	149 Å²	149	152.7 Å²	152.7	70%	0.696	74%	0.738	S	S	*	*			cis	176.9	123	-16.1	-125.9	178.5	-176.8	0	0	103.2
300	S	28.3	Very low	31	Very low	79 Å²	79	150.2 Å²	150.2	55%	0.552	74%	0.737	S	S	*	*				53.6	122.2	120.1	67.8	0	0	0	0	116.9
301	H	33.1	Very low	30.8	Very low	156 Å²	156	153.7 Å²	153.7	72%	0.722	75%	0.746	S	S	*	*				170.2	124.9	116.2	-86.8	-64.8	0	0	0	113.5
302	H	31.9	Very low	30.6	Very low	140 Å²	140	153.9 Å²	153.9	65%	0.648	75%	0.746	S	S	*	*			trans	61	108.8	142.8	-65.5	-63.7	0	0	0	123.5
303	E	27.2	Very low	30.1	Very low	156 Å²	156	153.7 Å²	153.7	73%	0.729	74%	0.739	S	S	*	*				34.9	119.1	103	-67.1	175.2	138.6	0	0	120
304	K	33.1	Very low	30	Very low	196 Å²	196	154.1 Å²	154.1	85%	0.852	74%	0.74	S	S	*	*				-179.3	106.4	128.8	-100.9	165.6	-179.3	178	0	107.5
305	L	27.1	Very low	29.5	Very low	146 Å²	146	149.6 Å²	149.6	76%	0.764	73%	0.729	S	S	*	*				47.6	137.6	78.8	-76.9	169.5	0	0	0	115
306	H	31.5	Very low	29.4	Very low	157 Å²	157	145.4 Å²	145.4	73%	0.727	73%	0.727	S	S	*	*			trans	98.9	95.8	168.6	-54.6	-66.9	0	0	0	115.3
307	S	25.9	Very low	29	Very low	94 Å²	94	145.7 Å²	145.7	66%	0.657	73%	0.729	S	S	*	*				86.6	130.7	65.2	69.6	0	0	0	0	113.7
308	S	26.4	Very low	29	Very low	104 Å²	104	146.7 Å²	146.7	73%	0.727	73%	0.734	S	S	*	*			trans	66	121.4	148.4	59	0	0	0	0	119
309	L	32	Very low	28.6	Very low	158 Å²	158	145.3 Å²	145.3	83%	0.827	74%	0.739	S	S	*	*			trans	166.7	89.5	132.1	-86	168.2	0	0	0	106.2
310	N	26.8	Very low	28.7	Very low	142 Å²	142	142.4 Å²	142.4	76%	0.759	74%	0.735	S	S	*	*				36.6	88.4	72.2	-95.6	2.2	0	0	0	113.8
311	R	30.6	Very low	28.6	Very low	239 Å²	239	142.5 Å²	142.5	90%	0.902	75%	0.749	S	S	*	*			trans	-148.1	92.5	140.6	-86.9	-170.9	-175.6	-167.3	0.1	106.5
312	L	28.8	Very low	28.5	Very low	136 Å²	136	138.2 Å²	138.2	71%	0.712	73%	0.733	S	S	*	*				60.6	96.1	83.8	-67.6	173.3	0	0	0	114
313	Y	25.6	Very low	28.4	Very low	182 Å²	182	134.2 Å²	134.2	71%	0.714	72%	0.721	S	S	*	*			trans	62.5	160.3	135.5	-85	-103.1	0	0	0	120.1	H315	Y313-H315 AromaticContact CD1-CD2 3.68Å; Y313-H315 AromaticContact CE1-CD2 3.33Å; Y313-H315 WeakPolarHBondContact CE1-CD2 3.46Å; Y313-H315 AromaticContact CE1-NE2 3.23Å; Y313-H315 WeakPolarHBondContact CE1-NE2 3.46Å; Y313-H315 AromaticContact CZ-NE2 3.96Å
314	P	28.4	Very low	28.8	Very low	108 Å²	108	139.1 Å²	139.1	70%	0.701	73%	0.733	S	S	*	*			cis	-131.5	163.3	6.4	33.7	-13.4	0	0	0	116.6	T316	P314-T316 PolarHBondContact O-N 2.89Å
315	H	26.1	Very low	28.9	Very low	151 Å²	151	137.4 Å²	137.4	70%	0.699	73%	0.725	S	S	*	*			trans	-20.1	121.3	151.7	-61.6	-80.9	0	0	0	115.4	Y313	Y313-H315 AromaticContact CD1-CD2 3.68Å; Y313-H315 AromaticContact CE1-CD2 3.33Å; Y313-H315 WeakPolarHBondContact CE1-CD2 3.46Å; Y313-H315 AromaticContact CE1-NE2 3.23Å; Y313-H315 WeakPolarHBondContact CE1-NE2 3.46Å; Y313-H315 AromaticContact CZ-NE2 3.96Å
316	T	27.5	Very low	29.1	Very low	129 Å²	129	132.3 Å²	132.3	79%	0.791	70%	0.701	S	S	*	*			trans	-132.9	108	141.2	42.2	0	0	0	0	107.9	P314 H318	P314-T316 PolarHBondContact O-N 2.89Å; T316-H318 PolarHBondContact O-N 2.73Å
317	S	24.4	Very low	29.3	Very low	101 Å²	101	131.6 Å²	131.6	71%	0.706	70%	0.703	S	S	*	*			trans	-44.6	122.4	151.4	45.6	0	0	0	0	109.1
318	H	29.4	Very low	29.8	Very low	166 Å²	166	133.2 Å²	133.2	77%	0.769	71%	0.708	S	S	*	*			trans	-161	103.7	144.6	-94.6	-52	0	0	0	109.5	T316 S320	T316-H318 PolarHBondContact O-N 2.73Å; H318-S320 PolarHBondContact O-N 3.42Å
319	D	26.7	Very low	30.2	Very low	162 Å²	162	135.1 Å²	135.1	87%	0.866	71%	0.707	S	S	*	*			trans	-21.1	115.9	137.6	-75.3	-47.7	0	0	0	111.6
320	S	31	Very low	30.2	Very low	88 Å²	88	130.9 Å²	130.9	62%	0.615	69%	0.69	S	S	*	*			trans	-171.6	93.8	152.2	41.1	0	0	0	0	108.5	H318 V322	H318-S320 PolarHBondContact O-N 3.42Å; S320-V322 PolarHBondContact O-N 3.04Å
321	G	27.1	Very low	30.6	Very low	81 Å²	81	130 Å²	130	84%	0.835	70%	0.695	S	S	*	*			trans	-66.1	71.7	165.2	0	0	0	0	0	110.3
322	V	30.2	Very low	30.7	Very low	66 Å²	66	128 Å²	128	40%	0.4	69%	0.693	S	S	.	*			trans	-113.5	117.4	-174.2	176	0	0	0	0	109.8	S320 R324 N327	S320-V322 PolarHBondContact O-N 3.04Å; V322-R324 PolarHBondContact O-N 2.8Å; V322-N327 WeakPolarHBondContact CG1-OD1 3.37Å
323	C	29.8	Very low	31	Very low	56 Å²	56	125.4 Å²	125.4	38%	0.378	69%	0.685	S	S	.	*	B	Isolated β-bridge	trans	-55.7	118	167	165.1	0	0	0	0	110	K325 C326	C323-K325 PolarHBondContact O-N 2.89Å; C323-C326 HydrophobicContact CB-CB 4.24Å; C323-C326 WeakPolarHBondContact CB-O 3.48Å; C323-C326 WeakPolarHBondContact CB-SG 3.5Å; C323-C326 CarbonylContact O-C 3.55Å; C323-C326 PolarHBondContact O-N 3.13Å; C323-C326 VanDerWaalsContact O-N 3.11Å; C323-C326 WeakPolarHBondContact SG-CB 3.44Å; C323-C326 PolarHBondContact SG-N 3.29Å; C323-C326 CovalentContact SG-SG 2.07Å; C323-C326 PolarHBondContact SG-SG 2.83Å
324	R	36	Very low	31.4	Very low	260 Å²	260	124.6 Å²	124.6	98%	0.981	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-6.8	178.5	-77.8	-174	176.2	-175.4	-0.8	115.1	V322	V322-R324 PolarHBondContact O-N 2.8Å
325	K	35.4	Very low	31.5	Very low	160 Å²	160	128.1 Å²	128.1	70%	0.696	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	-17.6	176.3	-90.8	175.4	177.6	158.9	0	114.2	C323 D354	C323-K325 PolarHBondContact O-N 2.89Å; K325-D354 WeakPolarHBondContact CE-OD1 3.5Å; K325-D354 IonicContact NZ-OD1 2.81Å; K325-D354 PolarHBondContact NZ-OD1 2.9Å
326	C	32.2	Very low	31.6	Very low	38 Å²	38	125.1 Å²	125.1	26%	0.257	70%	0.696	S	S	.	*	B	Isolated β-bridge	trans	-147.3	89	-164.9	53.5	0	0	0	0	108.8	C323 V328	C323-C326 HydrophobicContact CB-CB 4.24Å; C323-C326 WeakPolarHBondContact CB-O 3.48Å; C323-C326 WeakPolarHBondContact CB-SG 3.5Å; C323-C326 CarbonylContact O-C 3.55Å; C323-C326 PolarHBondContact O-N 3.13Å; C323-C326 VanDerWaalsContact O-N 3.11Å; C323-C326 WeakPolarHBondContact SG-CB 3.44Å; C323-C326 PolarHBondContact SG-N 3.29Å; C323-C326 CovalentContact SG-SG 2.07Å; C323-C326 PolarHBondContact SG-SG 2.83Å; C326-V328 PolarHBondContact O-N 2.74Å
327	N	35.7	Very low	31.7	Very low	143 Å²	143	127.4 Å²	127.4	77%	0.765	70%	0.702	S	S	*	*			trans	-74.3	47	-175.6	-145.8	22.2	0	0	0	111.7	V322	V322-N327 WeakPolarHBondContact CG1-OD1 3.37Å
328	V	36.2	Very low	32.1	Very low	127 Å²	127	128.9 Å²	128.9	77%	0.77	70%	0.697	S	S	*	*			trans	-132	114	-173	-176.6	0	0	0	0	109.7	C326	C326-V328 PolarHBondContact O-N 2.74Å
329	M	34.7	Very low	32.1	Very low	144 Å²	144	128 Å²	128	71%	0.709	69%	0.693	S	S	*	*			trans	-70.8	128.8	173.7	-68.7	-72.6	-73.5	0	0	110.4	S331	M329-S331 PolarHBondContact O-N 3.29Å
330	C	31.2	Very low	32.3	Very low	69 Å²	69	128.8 Å²	128.8	47%	0.466	70%	0.696	S	S	.	*			trans	-71.1	107.4	173.1	171.3	0	0	0	0	110.3	K332 C333	C330-K332 PolarHBondContact O-N 3.34Å; C330-C333 HydrophobicContact CB-CB 4.41Å; C330-C333 WeakPolarHBondContact CB-SG 3.39Å; C330-C333 PolarHBondContact O-N 2.92Å; C330-C333 WeakPolarHBondContact SG-CB 3.14Å; C330-C333 PolarHBondContact SG-N 2.89Å; C330-C333 CovalentContact SG-SG 2.05Å; C330-C333 PolarHBondContact SG-SG 3.19Å
331	S	35.4	Very low	32.3	Very low	123 Å²	123	131.6 Å²	131.6	86%	0.86	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-0.3	178.4	54.7	0	0	0	0	115.3	M329	M329-S331 PolarHBondContact O-N 3.29Å
332	K	33.3	Very low	32.4	Very low	199 Å²	199	135.2 Å²	135.2	87%	0.865	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.6	-11.3	-176.7	-75.4	-173.9	175.8	-178.5	0	115	C330	C330-K332 PolarHBondContact O-N 3.34Å
333	C	34.7	Very low	32.4	Very low	81 Å²	81	142.3 Å²	142.3	55%	0.547	72%	0.721	S	S	.	*			trans	-129.1	56.8	-169.2	56.2	0	0	0	0	112.3	C330 E335	C330-C333 HydrophobicContact CB-CB 4.41Å; C330-C333 WeakPolarHBondContact CB-SG 3.39Å; C330-C333 PolarHBondContact O-N 2.92Å; C330-C333 WeakPolarHBondContact SG-CB 3.14Å; C330-C333 PolarHBondContact SG-N 2.89Å; C330-C333 CovalentContact SG-SG 2.05Å; C330-C333 PolarHBondContact SG-SG 3.19Å; C333-E335 PolarHBondContact O-N 3.45Å
334	N	35	Very low	32.5	Very low	165 Å²	165	149.9 Å²	149.9	88%	0.882	74%	0.743	S	S	*	*			trans	-66.3	30.8	-176.3	-146.6	31.9	0	0	0	114.8
335	E	30.3	Very low	32.1	Very low	181 Å²	181	143.3 Å²	143.3	85%	0.846	74%	0.737	S	S	*	*			trans	-110.8	116.2	-177.9	-87.2	173.4	159.7	0	0	111.3	C333	C333-E335 PolarHBondContact O-N 3.45Å
336	S	28.1	Very low	31.8	Very low	88 Å²	88	142.4 Å²	142.4	62%	0.615	74%	0.739	S	S	*	*			trans	-71.5	122.6	173.6	43.6	0	0	0	0	110.4	H338	S336-H338 PolarHBondContact O-N 3.38Å; S336-H338 PolarHBondContact OG-CD2 2.95Å
337	I	29.3	Very low	31.6	Very low	177 Å²	177	146 Å²	146	91%	0.908	77%	0.765	S	S	*	*			trans	-72.7	85.2	166.2	-57.9	174.8	0	0	0	107.2
338	H	31.6	Very low	31.5	Very low	133 Å²	133	150.4 Å²	150.4	62%	0.616	77%	0.771	S	S	*	*			trans	-77.5	122.5	169.4	-89.4	-70.8	0	0	0	110.6	S336	S336-H338 PolarHBondContact O-N 3.38Å; S336-H338 PolarHBondContact OG-CD2 2.95Å
339	H	29.2	Very low	31.3	Very low	146 Å²	146	148.4 Å²	148.4	68%	0.676	76%	0.762	S	S	*	*			trans	38	108.1	148	-53.9	-71.8	0	0	0	119.5
340	L	31.3	Very low	31.1	Very low	179 Å²	179	149.7 Å²	149.7	94%	0.937	77%	0.771	S	S	*	*			trans	-124	117.8	137.4	-104.1	125	0	0	0	109.6	H342	L340-H342 PolarHBondContact O-N 3.05Å
341	N	30.9	Very low	31.4	Very low	148 Å²	148	154.1 Å²	154.1	79%	0.791	79%	0.785	S	S	*	*			trans	-57.4	126	-171.7	-80.7	-39.6	0	0	0	113.1	Y343	N341-Y343 PolarHBondContact O-N 3.13Å
342	H	29.7	Very low	31.3	Very low	157 Å²	157	158.4 Å²	158.4	73%	0.727	78%	0.782	S	S	*	*			trans	-73.2	113.2	163.5	-88.1	-69.6	0	0	0	110.7	L340	L340-H342 PolarHBondContact O-N 3.05Å
343	Y	29.7	Very low	31.3	Very low	215 Å²	215	153.6 Å²	153.6	84%	0.843	78%	0.779	S	S	*	*			trans	-133.2	136.9	145.9	-96.3	-86.4	0	0	0	107.8	N341	N341-Y343 PolarHBondContact O-N 3.13Å
344	Y	32.6	Very low	31.2	Very low	214 Å²	214	153.9 Å²	153.9	84%	0.839	78%	0.776	S	S	*	*	S	Bend	trans	85.9	76.5	-170.5	-68.2	-83.4	0	0	0	116.2	D346	Y344-D346 PolarHBondContact O-N 2.66Å
345	S	27.3	Very low	31.1	Very low	122 Å²	122	152.4 Å²	152.4	85%	0.853	77%	0.765	S	S	*	*			trans	-3.7	100.6	134.6	-45.2	0	0	0	0	115.7
346	D	29.4	Very low	31.3	Very low	141 Å²	141	153.8 Å²	153.8	75%	0.754	76%	0.764	S	S	*	*			trans	-142.1	137	136.9	-140	-12.9	0	0	0	111.5	Y344 R348	Y344-D346 PolarHBondContact O-N 2.66Å; D346-R348 VanDerWaalsContact C-N 3.33Å; D346-R348 PolarHBondContact O-N 3.06Å
347	S	28.4	Very low	31.6	Very low	113 Å²	113	153.4 Å²	153.4	79%	0.79	76%	0.76	S	S	*	*	S	Bend	trans	-83	61.3	-153.6	45.8	0	0	0	0	113.3
348	R	34.2	Very low	31.8	Very low	236 Å²	236	151.8 Å²	151.8	89%	0.891	75%	0.754	S	S	*	*			trans	-138	7.4	179.3	-76.7	-170.9	174.4	-162	-1.7	116.5	D346	D346-R348 VanDerWaalsContact C-N 3.33Å; D346-R348 PolarHBondContact O-N 3.06Å
349	S	30.8	Very low	32	Very low	85 Å²	85	153.1 Å²	153.1	59%	0.594	75%	0.753	S	S	*	*			trans	-91.5	7.8	-171.7	47.4	0	0	0	0	116.5
350	L	31.4	Very low	32.1	Very low	171 Å²	171	156.9 Å²	156.9	90%	0.895	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	5.6	-173	-83.7	166.4	0	0	0	116.9
351	H	36	Very low	32.2	Very low	163 Å²	163	156.7 Å²	156.7	76%	0.755	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	3.9	-178	-106	-49.7	0	0	0	116.1
352	R	34.9	Very low	32.2	Very low	213 Å²	213	159.3 Å²	159.3	80%	0.804	77%	0.767	S	S	*	*	S	Bend	trans	-94.5	-13.3	-166.9	-126.6	174.4	-177.9	157.1	-2	115.7
353	A	32.1	Very low	32.2	Very low	97 Å²	97	155.4 Å²	155.4	80%	0.802	77%	0.769	S	S	*	*	S	Bend	trans	-91.8	-12.3	-177.2	0	0	0	0	0	114.2
354	D	32.5	Very low	32.1	Very low	88 Å²	88	152.4 Å²	152.4	47%	0.471	77%	0.766	S	S	.	*	S	Bend	trans	-93.6	-5.7	-175	-92.1	-52.7	0	0	0	114.7	K325	K325-D354 WeakPolarHBondContact CE-OD1 3.5Å; K325-D354 IonicContact NZ-OD1 2.81Å; K325-D354 PolarHBondContact NZ-OD1 2.9Å
355	M	34.1	Very low	31.7	Very low	134 Å²	134	147.8 Å²	147.8	66%	0.66	77%	0.765	S	S	*	*	S	Bend	trans	-100.6	0.7	-173.5	-72.3	-136.4	76.9	0	0	115.4	C357	M355-C357 PolarHBondContact O-N 3.04Å
356	Y	34.4	Very low	31.7	Very low	210 Å²	210	147.3 Å²	147.3	82%	0.824	76%	0.761	S	S	*	*	S	Bend	trans	-90.3	10.1	-173.7	-83.3	-80.6	0	0	0	115.5
357	C	34.1	Very low	31.6	Very low	79 Å²	79	145.9 Å²	145.9	53%	0.534	76%	0.762	S	S	.	*	S	Bend	trans	-114.2	-16	-176.7	-147.1	0	0	0	0	115.5	M355	M355-C357 PolarHBondContact O-N 3.04Å
358	D	33.9	Very low	31.4	Very low	144 Å²	144	146.1 Å²	146.1	77%	0.77	76%	0.763	S	S	*	*	S	Bend	trans	-105.2	11.9	-163.3	-77.4	-28	0	0	0	116.6
359	R	35.1	Very low	30.9	Very low	160 Å²	160	139.5 Å²	139.5	60%	0.604	75%	0.753	S	S	*	*	S	Bend	trans	-123.8	19.2	-166.7	-105.6	163.8	173.9	-112.4	15.1	118.6	D422	R359-D422 IonicContact CZ-OD1 3.2Å; R359-D422 IonicContact CZ-OD2 3.11Å; R359-D422 IonicContact NE-OD2 3.9Å; R359-D422 IonicContact NH1-OD1 2.66Å; R359-D422 PolarHBondContact NH1-OD1 3.39Å; R359-D422 IonicContact NH1-OD2 2.74Å; R359-D422 PolarHBondContact NH1-OD2 2.97Å; R359-D422 IonicContact NH2-OD1 2.92Å; R359-D422 PolarHBondContact NH2-OD1 2.87Å; R359-D422 IonicContact NH2-OD2 3.34Å; R359-D422 PolarHBondContact NH2-OD2 3.15Å
360	R	32.3	Very low	30.9	Very low	226 Å²	226	142.6 Å²	142.6	85%	0.853	76%	0.763	S	S	*	*			trans	-141.5	67.1	173.9	-72.3	-171.3	-179.1	176.8	1.7	114.4
361	L	32	Very low	30.6	Very low	174 Å²	174	141.4 Å²	141.4	91%	0.911	76%	0.757	S	S	*	*			trans	-143	33.7	163.7	-81.6	178.3	0	0	0	113.7
362	H	31.2	Very low	30.3	Very low	204 Å²	204	143 Å²	143	94%	0.944	76%	0.764	S	S	*	*	S	Bend	trans	-120.2	101	167.5	-76.9	-56	0	0	0	109.6
363	G	30.3	Very low	29.9	Very low	74 Å²	74	140.4 Å²	140.4	76%	0.763	76%	0.761	S	S	*	*	S	Bend	trans	154.5	-2.4	169	0	0	0	0	0	118.5
364	I	28.3	Very low	29.7	Very low	153 Å²	153	142.1 Å²	142.1	79%	0.785	77%	0.766	S	S	*	*			trans	-118.5	98.8	176.4	-54.5	175.1	0	0	0	109	C366	I364-C366 PolarHBondContact O-N 2.9Å; I364-C366 VanDerWaalsContact O-N 3.16Å
365	S	23.9	Very low	29.3	Very low	116 Å²	116	147.4 Å²	147.4	81%	0.811	78%	0.779	S	S	*	*			trans	-65.1	99	160.4	42.6	0	0	0	0	108.7
366	C	26.8	Very low	29.1	Very low	113 Å²	113	150.9 Å²	150.9	76%	0.764	79%	0.791	S	S	*	*			trans	-94.7	118.1	163.4	-83.6	0	0	0	0	108.8	I364	I364-C366 PolarHBondContact O-N 2.9Å; I364-C366 VanDerWaalsContact O-N 3.16Å
367	S	26.6	Very low	28.7	Very low	111 Å²	111	147.7 Å²	147.7	78%	0.776	79%	0.789	S	S	*	*			trans	-48.3	138.7	177.5	-34.8	0	0	0	0	112.5	S369	S367-S369 PolarHBondContact O-N 3.44Å
368	S	23.8	Very low	28.6	Very low	117 Å²	117	149.6 Å²	149.6	82%	0.818	80%	0.803	S	S	*	*	S	Bend	trans	-46	113.2	161	49.5	0	0	0	0	112.2
369	S	25.4	Very low	28.4	Very low	98 Å²	98	147.8 Å²	147.8	69%	0.685	80%	0.801	S	S	*	*			trans	171	141.6	137.7	64.5	0	0	0	0	110.2	S367	S367-S369 PolarHBondContact O-N 3.44Å
370	L	30.1	Very low	28.2	Very low	150 Å²	150	149.6 Å²	149.6	79%	0.785	82%	0.817	S	S	*	*			trans	91.2	90.4	158.7	-60.2	153.9	0	0	0	116.7
371	D	25	Very low	28.1	Very low	146 Å²	146	148.4 Å²	148.4	78%	0.781	81%	0.812	S	S	*	*				7.7	118.2	128.3	-61.7	-47.5	0	0	0	116.4
372	H	30.6	Very low	28	Very low	195 Å²	195	148.3 Å²	148.3	90%	0.903	80%	0.801	S	S	*	*			trans	-157.1	108.2	141.3	-97.2	-60.5	0	0	0	110.9
373	E	24.8	Very low	28	Very low	159 Å²	159	148.5 Å²	148.5	74%	0.743	79%	0.793	S	S	*	*			trans	-58.1	134.3	160.1	-75.1	-178.6	118.8	0	0	110.7
374	C	29.1	Very low	27.8	Very low	134 Å²	134	150 Å²	150	91%	0.905	79%	0.792	S	S	*	*			trans	-138.2	90.1	151.6	-102.4	0	0	0	0	109.6
375	R	23.9	Very low	28.1	Very low	198 Å²	198	151.4 Å²	151.4	75%	0.747	80%	0.8	S	S	*	*			trans	-60.4	137.9	158.2	-70.5	175.9	169	-177.8	-3.5	109.2
376	F	30.3	Very low	28.4	Very low	208 Å²	208	151.7 Å²	151.7	91%	0.912	80%	0.802	S	S	*	*			trans	-149.1	126.1	136.7	-106.5	-75.9	0	0	0	111.9
377	N	25.4	Very low	28.4	Very low	143 Å²	143	149.7 Å²	149.7	77%	0.765	80%	0.801	S	S	*	*			trans	-67.1	147.9	-176.6	-72.6	-49	0	0	0	113.4
378	S	32.9	Very low	28.8	Very low	119 Å²	119	149.9 Å²	149.9	83%	0.832	80%	0.802	S	S	*	*				-158.1	110.6	119.7	60.2	0	0	0	0	110.9
379	S	28.6	Very low	29.2	Very low	106 Å²	106	153.2 Å²	153.2	74%	0.741	80%	0.802	S	S	*	*			trans	-54.2	137.7	172.4	48.9	0	0	0	0	114.9
380	Q	31.7	Very low	29.4	Very low	198 Å²	198	156 Å²	156	93%	0.925	81%	0.808	S	S	*	*			trans	-157.1	122.2	130.2	-111.9	166.4	15.9	0	0	111.7
381	R	28.6	Very low	29.4	Very low	201 Å²	201	158.5 Å²	158.5	76%	0.758	81%	0.813	S	S	*	*			trans	-65.3	152.2	177.5	-61.7	171.1	177.7	168.4	-1.2	109.3
382	Y	31.1	Very low	29.7	Very low	172 Å²	172	160 Å²	160	68%	0.675	82%	0.818	S	S	*	*				-177.1	142.6	76.2	-98.3	-74.6	0	0	0	113.6
383	R	30.8	Very low	29.8	Very low	208 Å²	208	156.1 Å²	156.1	79%	0.785	81%	0.81	S	S	*	*			trans	70.7	95.9	140.4	-81.1	159.6	-161.5	-132.7	7.8	120.6
384	S	27.3	Very low	30.1	Very low	106 Å²	106	152.9 Å²	152.9	74%	0.741	80%	0.804	S	S	*	*			trans	-26.4	137.6	134.3	22.3	0	0	0	0	117.1
385	L	33.9	Very low	30	Very low	182 Å²	182	151.1 Å²	151.1	95%	0.953	79%	0.794	S	S	*	*			trans	-136.5	108.1	141.9	-83.1	172.5	0	0	0	108.9
386	S	29.1	Very low	30.6	Very low	121 Å²	121	149.5 Å²	149.5	85%	0.846	79%	0.794	S	S	*	*			trans	-79.1	149	162.4	-77.2	0	0	0	0	110
387	G	28.6	Very low	30.6	Very low	72 Å²	72	148 Å²	148	74%	0.742	79%	0.79	S	S	*	*			trans	114.3	99.8	154	0	0	0	0	0	115
388	S	33.8	Very low	31.1	Very low	115 Å²	115	148.7 Å²	148.7	80%	0.804	79%	0.788	S	S	*	*				169.6	124.2	99.9	49.7	0	0	0	0	112.5
389	K	33	Very low	30.9	Very low	187 Å²	187	151.6 Å²	151.6	81%	0.813	79%	0.788	S	S	*	*			trans	52.3	109	136.4	-64.9	179.7	178.5	178.3	0	120
390	L	28.7	Very low	31	Very low	155 Å²	155	156.2 Å²	156.2	81%	0.812	79%	0.791	S	S	*	*				51	109.3	120.1	-63.3	166.1	0	0	0	117.3
391	F	31.3	Very low	30.8	Very low	204 Å²	204	154.1 Å²	154.1	90%	0.895	78%	0.781	S	S	*	*				-169.5	110.2	126.4	-108.2	-79.3	0	0	0	108.3
392	M	30.2	Very low	31.1	Very low	177 Å²	177	149.7 Å²	149.7	87%	0.872	78%	0.778	S	S	*	*			trans	-80	141.4	160	-77.3	-81.3	106.7	0	0	108
393	P	32.6	Very low	30.9	Very low	113 Å²	113	148.6 Å²	148.6	73%	0.734	78%	0.779	S	S	*	*			trans	-133.7	134	136.1	30.9	-16	0	0	0	112.7
394	S	32.5	Very low	30.9	Very low	91 Å²	91	148.6 Å²	148.6	64%	0.636	78%	0.779	S	S	*	*			trans	43.6	106.8	141.8	-73.9	0	0	0	0	120.2	H396	S394-H396 PolarHBondContact O-N 3.49Å
395	S	26.6	Very low	30.9	Very low	97 Å²	97	152.2 Å²	152.2	68%	0.678	78%	0.784	S	S	*	*				30.4	95.2	115.5	61.7	0	0	0	0	117
396	H	34.9	Very low	30.6	Very low	164 Å²	164	148.9 Å²	148.9	76%	0.759	77%	0.766	S	S	*	*			trans	-117.8	100.8	152.4	-78.8	-63.3	0	0	0	109.2	S394 H398	S394-H396 PolarHBondContact O-N 3.49Å; H396-H398 PolarHBondContact O-N 2.95Å; H396-H398 VanDerWaalsContact O-N 3.15Å
397	H	31.3	Very low	30.4	Very low	178 Å²	178	149.7 Å²	149.7	82%	0.824	77%	0.77	S	S	*	*			trans	-63.1	105.2	164.7	-78.5	-70.2	0	0	0	108.9	H399	H397-H399 PolarHBondContact O-N 3.44Å
398	H	34.9	Very low	30.3	Very low	157 Å²	157	150.4 Å²	150.4	73%	0.727	76%	0.763	S	S	*	*			trans	-81.8	92.9	165.1	-76.9	-63.5	0	0	0	109.3	H396 Y400	H396-H398 PolarHBondContact O-N 2.95Å; H396-H398 VanDerWaalsContact O-N 3.15Å; H398-Y400 VanDerWaalsContact C-N 3.32Å; H398-Y400 HydrophobicContact CB-CD2 4.3Å; H398-Y400 PolarHBondContact O-N 3.34Å
399	H	29.7	Very low	30	Very low	180 Å²	180	149.9 Å²	149.9	83%	0.833	77%	0.765	S	S	*	*			trans	-59	95.6	154.7	-98.6	-63.1	0	0	0	108.5	H397	H397-H399 PolarHBondContact O-N 3.44Å
400	Y	31	Very low	30	Very low	203 Å²	203	150 Å²	150	80%	0.796	77%	0.766	S	S	*	*			trans	-99.4	89.1	161.3	-103.5	-86.1	0	0	0	108.5	H398 P402	H398-Y400 VanDerWaalsContact C-N 3.32Å; H398-Y400 HydrophobicContact CB-CD2 4.3Å; H398-Y400 PolarHBondContact O-N 3.34Å; Y400-P402 WeakPolarHBondContact O-CD 3.47Å
401	Q	27	Very low	30	Very low	154 Å²	154	147.8 Å²	147.8	72%	0.72	76%	0.763	S	S	*	*			trans	-78.8	123.4	151.7	-97.4	-178.7	-26.6	0	0	107.8
402	P	34	Very low	30.2	Very low	107 Å²	107	143.6 Å²	143.6	70%	0.695	75%	0.749	S	S	*	*			trans	-107.3	91.7	151.4	32.2	-20.4	0	0	0	108.1	Y400 R404	Y400-P402 WeakPolarHBondContact O-CD 3.47Å; P402-R404 VanDerWaalsContact C-N 3.31Å; P402-R404 PolarHBondContact O-N 2.68Å
403	H	28.3	Very low	30.2	Very low	150 Å²	150	140 Å²	140	69%	0.694	74%	0.739	S	S	*	*			trans	-59.6	99.6	149.8	-99.9	-72.1	0	0	0	107.2
404	R	29.9	Very low	30	Very low	207 Å²	207	137 Å²	137	78%	0.781	72%	0.721	S	S	*	*			trans	-134.4	97.5	161	-77.9	-164.6	174.7	-178.4	-0.4	109.3	P402 I406	P402-R404 VanDerWaalsContact C-N 3.31Å; P402-R404 PolarHBondContact O-N 2.68Å; R404-I406 HydrophobicContact CB-CD1 4.25Å; R404-I406 HydrophobicContact CB-CG1 4.04Å; R404-I406 PolarHBondContact O-N 3.12Å
405	H	27.2	Very low	30.3	Very low	182 Å²	182	137 Å²	137	84%	0.843	71%	0.713	S	S	*	*			trans	-52.2	102.9	152.7	-74.4	-93.2	0	0	0	108.1
406	I	27.3	Very low	30.5	Very low	113 Å²	113	136.3 Å²	136.3	58%	0.579	71%	0.708	S	S	*	*			trans	-121.3	104.7	166.4	-53.5	179.2	0	0	0	105.6	R404 C408	R404-I406 HydrophobicContact CB-CD1 4.25Å; R404-I406 HydrophobicContact CB-CG1 4.04Å; R404-I406 PolarHBondContact O-N 3.12Å; I406-C408 WeakPolarHBondContact CG2-SG 3.25Å; I406-C408 PolarHBondContact O-N 3.37Å
407	C	25.4	Very low	30.4	Very low	138 Å²	138	133.5 Å²	133.5	93%	0.932	70%	0.702	S	S	*	*			trans	-60.9	85.4	163.5	-65	0	0	0	0	108.2	A409	C407-A409 PolarHBondContact O-N 3.43Å
408	C	27.1	Very low	30.5	Very low	87 Å²	87	130 Å²	130	59%	0.588	69%	0.69	S	S	*	*			trans	-90.3	96.2	170.9	-76.4	0	0	0	0	108.4	I406 K410	I406-C408 WeakPolarHBondContact CG2-SG 3.25Å; I406-C408 PolarHBondContact O-N 3.37Å; C408-K410 HydrophobicContact CB-CG 4.33Å; C408-K410 PolarHBondContact O-N 2.96Å
409	A	26.2	Very low	30.3	Very low	103 Å²	103	128.7 Å²	128.7	85%	0.851	69%	0.688	S	S	*	*			trans	-62	92.9	154	0	0	0	0	0	107.1	C407 S411	C407-A409 PolarHBondContact O-N 3.43Å; A409-S411 PolarHBondContact O-N 3.05Å
410	K	33.2	Very low	30.4	Very low	190 Å²	190	128.4 Å²	128.4	83%	0.826	69%	0.685	S	S	*	*			trans	-71	101.4	177.9	-74.6	179.1	179	175.8	0	108.1	C408 I412	C408-K410 HydrophobicContact CB-CG 4.33Å; C408-K410 PolarHBondContact O-N 2.96Å; K410-I412 PolarHBondContact O-N 3Å
411	S	29	Very low	30.3	Very low	109 Å²	109	127.5 Å²	127.5	76%	0.762	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-57.9	119.7	163.4	48.9	0	0	0	0	109.3	A409	A409-S411 PolarHBondContact O-N 3.05Å
412	I	36.3	Very low	30.5	Very low	115 Å²	115	124.8 Å²	124.8	59%	0.59	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-60.5	131.2	173.1	-60.1	168.4	0	0	0	108.3	K410 S414	K410-I412 PolarHBondContact O-N 3Å; I412-S414 PolarHBondContact O-N 3.36Å
413	P	29.6	Very low	30.5	Very low	102 Å²	102	125.5 Å²	125.5	66%	0.662	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-59.3	136.1	176.1	-16.9	28.8	0	0	0	110.6	L415	P413-L415 PolarHBondContact O-N 2.96Å
414	S	27.7	Very low	30.8	Very low	51 Å²	51	124.2 Å²	124.2	36%	0.357	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-59.7	121.8	170.3	43.1	0	0	0	0	110.5	I412 S416	I412-S414 PolarHBondContact O-N 3.36Å; S414-S416 PolarHBondContact O-N 2.75Å
415	L	40	Very low	30.9	Very low	89 Å²	89	118.1 Å²	118.1	47%	0.466	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.3	8.3	-177.5	-86.2	150.7	0	0	0	115.9	P413 L418	P413-L415 PolarHBondContact O-N 2.96Å; L415-L418 HydrophobicContact CD2-CD1 4.37Å
416	S	30.7	Very low	31.3	Very low	84 Å²	84	115.8 Å²	115.8	59%	0.587	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-7.4	178.6	53.5	0	0	0	0	114.3	S414	S414-S416 PolarHBondContact O-N 2.75Å
417	T	33.1	Very low	31.7	Very low	104 Å²	104	118.1 Å²	118.1	64%	0.638	66%	0.656	S	S	*	*			trans	-130.1	22.5	-174.1	13.9	0	0	0	0	114	D419	T417-D419 PolarHBondContact O-N 3.24Å
418	L	33.7	Very low	32.3	Very low	106 Å²	106	116.4 Å²	116.4	56%	0.555	64%	0.642	S	S	*	*			trans	-77.4	70.8	168.1	-108.8	128.8	0	0	0	109.5	L415 F420	L415-L418 HydrophobicContact CD2-CD1 4.37Å; L418-F420 PolarHBondContact O-N 3.23Å
419	D	29.4	Very low	32.6	Very low	128 Å²	128	120.1 Å²	120.1	68%	0.684	65%	0.65	S	S	*	*			trans	-54.8	124.9	153.5	-81.8	-34.1	0	0	0	107.6	T417 Y421	T417-D419 PolarHBondContact O-N 3.24Å; D419-Y421 VanDerWaalsContact C-N 3.28Å; D419-Y421 HydrophobicContact CB-CD2 4.45Å; D419-Y421 PolarHBondContact O-N 3.16Å
420	F	32	Very low	33	Very low	175 Å²	175	119.1 Å²	119.1	77%	0.768	64%	0.637	S	S	*	*	S	Bend	trans	-55.2	71.7	-175.1	-77.6	-100.3	0	0	0	114	L418	L418-F420 PolarHBondContact O-N 3.23Å
421	Y	30.1	Very low	33.4	Very low	183 Å²	183	113 Å²	113	72%	0.718	61%	0.612	S	S	*	*			trans	-148	118.4	174.3	-65.2	-75.8	0	0	0	112.7	D419	D419-Y421 VanDerWaalsContact C-N 3.28Å; D419-Y421 HydrophobicContact CB-CD2 4.45Å; D419-Y421 PolarHBondContact O-N 3.16Å
422	D	30.4	Very low	33.6	Very low	97 Å²	97	111 Å²	111	52%	0.519	61%	0.609	S	S	.	*			trans	58.9	75.2	156.5	-79.8	-43.5	0	0	0	118.9	R359	R359-D422 IonicContact CZ-OD1 3.2Å; R359-D422 IonicContact CZ-OD2 3.11Å; R359-D422 IonicContact NE-OD2 3.9Å; R359-D422 IonicContact NH1-OD1 2.66Å; R359-D422 PolarHBondContact NH1-OD1 3.39Å; R359-D422 IonicContact NH1-OD2 2.74Å; R359-D422 PolarHBondContact NH1-OD2 2.97Å; R359-D422 IonicContact NH2-OD1 2.92Å; R359-D422 PolarHBondContact NH2-OD1 2.87Å; R359-D422 IonicContact NH2-OD2 3.34Å; R359-D422 PolarHBondContact NH2-OD2 3.15Å
423	T	34.8	Very low	33.8	Very low	122 Å²	122	111.3 Å²	111.3	75%	0.748	62%	0.622	S	S	*	*	S	Bend	trans	-108.7	97.6	154.1	36.9	0	0	0	0	110.7
424	N	33.3	Very low	34.7	Very low	124 Å²	124	109.1 Å²	109.1	66%	0.663	61%	0.605	S	S	*	*			trans	60	83.9	157.1	-62.8	-21.5	0	0	0	117.7	I426	N424-I426 PolarHBondContact O-N 2.99Å
425	S	32.4	Very low	35.6	Very low	79 Å²	79	118 Å²	118	55%	0.552	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	22.8	165.5	63.4	0	0	0	0	115.7
426	I	35.7	Very low	36.4	Very low	132 Å²	132	119.1 Å²	119.1	68%	0.677	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-15.7	179.7	-59.1	178.7	0	0	0	111.4	N424	N424-I426 PolarHBondContact O-N 2.99Å
427	Y	35.3	Very low	37.5	Very low	163 Å²	163	115.9 Å²	115.9	64%	0.639	61%	0.61	S	S	*	*	S	Bend	trans	-119.9	3.6	-179	-69.5	-78.9	0	0	0	115.2	H429	Y427-H429 PolarHBondContact O-N 3.29Å
428	T	39.2	Very low	38.7	Very low	102 Å²	102	115.8 Å²	115.8	63%	0.626	61%	0.605	S	S	*	*	S	Bend	trans	-77.1	3.5	175.8	46.9	0	0	0	0	114.3
429	H	32.8	Very low	39.9	Very low	165 Å²	165	113.8 Å²	113.8	76%	0.764	59%	0.592	S	S	*	*	S	Bend	trans	-121.6	45.7	-174	-71.4	-76.9	0	0	0	113.9	Y427	Y427-H429 PolarHBondContact O-N 3.29Å
430	S	34	Very low	41	Very low	81 Å²	81	111.2 Å²	111.2	57%	0.566	58%	0.577	S	S	*	*	S	Bend	trans	-168.7	36.2	162.7	-160.2	0	0	0	0	114.5	K463	S430-K463 PolarHBondContact O-NZ 2.82Å; S430-K463 VanDerWaalsContact O-NZ 3.1Å; S430-K463 PolarHBondContact OG-NZ 3.36Å
431	L	42.3	Very low	41.5	Very low	61 Å²	61	106.7 Å²	106.7	32%	0.319	56%	0.559	S	S	.	*	S	Bend	trans	-120.7	106.4	161.3	-96.4	113.6	0	0	0	106.6	S433 F439 N467	L431-S433 PolarHBondContact O-N 3.41Å; L431-F439 HydrophobicContact CD1-CE2 4.3Å; L431-N467 WeakPolarHBondContact CD2-OD1 3.36Å
432	G	32.9	Very low	42.3	Very low	67 Å²	67	101.3 Å²	101.3	69%	0.691	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	127.3	177.5	0	0	0	0	0	111.5	N434	G432-N434 VanDerWaalsContact C-N 3.29Å; G432-N434 PolarHBondContact O-N 3.33Å; G432-N434 PolarHBondContact O-ND2 3.32Å
433	S	40.7	Very low	42.6	Very low	123 Å²	123	102.8 Å²	102.8	86%	0.86	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	18.6	162.6	-154.5	0	0	0	0	119.7	L431	L431-S433 PolarHBondContact O-N 3.41Å
434	N	48.5	Very low	42.9	Very low	56 Å²	56	99.2 Å²	99.2	30%	0.299	52%	0.518	S	S	.	.			trans	-106	66.8	-177.7	-83.1	-50.9	0	0	0	113.7	G432 H436 V437 R474	G432-N434 VanDerWaalsContact C-N 3.29Å; G432-N434 PolarHBondContact O-N 3.33Å; G432-N434 PolarHBondContact O-ND2 3.32Å; N434-H436 PolarHBondContact O-N 3.2Å; N434-V437 PolarHBondContact O-N 3.3Å; N434-R474 PolarHBondContact ND2-NH1 2.86Å; N434-R474 PolarHBondContact ND2-NH2 3.22Å; N434-R474 PolarHBondContact OD1-NE 3.43Å; N434-R474 PolarHBondContact OD1-NH1 3.42Å; N434-R474 PolarHBondContact OD1-NH2 2.86Å
435	R	47.2	Very low	43	Very low	238 Å²	238	99.2 Å²	99.2	90%	0.898	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-6.3	175.5	-70.3	-174.4	-179.3	-179.1	1.2	114.7
436	H	55.2	Low	43.1	Very low	112 Å²	112	103.9 Å²	103.9	52%	0.519	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	1.5	-172.5	-69.4	-84.4	0	0	0	114.7	N434 D528	N434-H436 PolarHBondContact O-N 3.2Å; H436-D528 IonicContact CE1-OD1 3.9Å; H436-D528 IonicContact CG-OD1 3.62Å; H436-D528 IonicContact ND1-OD1 2.89Å; H436-D528 PolarHBondContact ND1-OD1 3.3Å; H436-D528 PolarHBondContact O-N 2.88Å
437	V	55.8	Low	43.2	Very low	16 Å²	16	102.1 Å²	102.1	10%	0.097	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	111.5	-178	-177	0	0	0	0	111.4	N434 F439 T470 F525 R526 I527	N434-V437 PolarHBondContact O-N 3.3Å; V437-F439 HydrophobicContact CG1-CD2 4.2Å; V437-F439 HydrophobicContact CG1-CE1 4.22Å; V437-F439 HydrophobicContact CG1-CE2 3.82Å; V437-F439 HydrophobicContact CG1-CZ 3.84Å; V437-T470 HydrophobicContact CB-CG2 4.41Å; V437-T470 HydrophobicContact CG1-CG2 3.89Å; V437-T470 HydrophobicContact CG2-CG2 3.89Å; V437-F525 HydrophobicContact CG1-CB 4.42Å; V437-F525 HydrophobicContact CG1-CD2 4.37Å; V437-R526 WeakPolarHBondContact CA-O 3.25Å; V437-I527 HydrophobicContact CG2-CD1 4.17Å; V437-I527 HydrophobicContact CG2-CG1 3.93Å
438	N	58.1	Low	43.2	Very low	102 Å²	102	101.6 Å²	101.6	55%	0.545	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	106.7	172.3	-68.9	-25.9	0	0	0	107.8	I440 R526	N438-I440 PolarHBondContact O-N 3.14Å; N438-R526 PolarHBondContact N-O 2.96Å; N438-R526 PolarHBondContact O-N 3.02Å
439	F	57.4	Low	43	Very low	64 Å²	64	103.1 Å²	103.1	28%	0.281	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	115	168	-66	-79.4	0	0	0	107.9	L431 V437 I442 F525	L431-F439 HydrophobicContact CD1-CE2 4.3Å; V437-F439 HydrophobicContact CG1-CD2 4.2Å; V437-F439 HydrophobicContact CG1-CE1 4.22Å; V437-F439 HydrophobicContact CG1-CE2 3.82Å; V437-F439 HydrophobicContact CG1-CZ 3.84Å; F439-I442 HydrophobicContact CB-CD1 3.66Å; F439-I442 HydrophobicContact CB-CG1 4.08Å; F439-I442 HydrophobicContact CD1-CD1 3.43Å; F439-I442 VanDerWaalsContact CD1-CD1 3.43Å; F439-I442 HydrophobicContact CD1-CG1 4.03Å; F439-I442 HydrophobicContact CD2-CD1 4.28Å; F439-I442 HydrophobicContact CE1-CD1 4.12Å; F439-I442 HydrophobicContact CG-CD1 3.52Å; F439-I442 HydrophobicContact CG-CG1 4.3Å; F439-F525 HydrophobicContact CD1-CB 3.63Å; F439-F525 HydrophobicContact CE1-CB 3.97Å; F439-F525 HydrophobicContact CE1-CG 4.48Å; F439-F525 HydrophobicContact CG-CB 4.43Å
440	I	52.4	Low	42.9	Very low	73 Å²	73	98.2 Å²	98.2	37%	0.374	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-27.8	-175.1	-70.4	-162	0	0	0	111.7	N438 S524 R526	N438-I440 PolarHBondContact O-N 3.14Å; I440-S524 PolarHBondContact N-O 3.01Å; I440-R526 HydrophobicContact CD1-CG 3.72Å; I440-R526 HydrophobicContact CG1-CG 4.19Å
441	E	43.3	Very low	42.8	Very low	80 Å²	80	101.6 Å²	101.6	37%	0.374	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	92.1	-179.9	-103.2	161	178	0	0	108.1	S524	E441-S524 PolarHBondContact N-O 3.35Å; E441-S524 WeakPolarHBondContact O-CB 3.47Å; E441-S524 PolarHBondContact O-N 3.24Å
442	I	46.9	Very low	42.6	Very low	71 Å²	71	105.4 Å²	105.4	36%	0.364	56%	0.56	S	S	.	*			trans	-97.4	93.8	165.9	-84.8	178.8	0	0	0	104	F439 Y444	F439-I442 HydrophobicContact CB-CD1 3.66Å; F439-I442 HydrophobicContact CB-CG1 4.08Å; F439-I442 HydrophobicContact CD1-CD1 3.43Å; F439-I442 VanDerWaalsContact CD1-CD1 3.43Å; F439-I442 HydrophobicContact CD1-CG1 4.03Å; F439-I442 HydrophobicContact CD2-CD1 4.28Å; F439-I442 HydrophobicContact CE1-CD1 4.12Å; F439-I442 HydrophobicContact CG-CD1 3.52Å; F439-I442 HydrophobicContact CG-CG1 4.3Å; I442-Y444 HydrophobicContact CB-CD2 3.57Å; I442-Y444 HydrophobicContact CB-CE2 4.04Å; I442-Y444 HydrophobicContact CG1-CD2 3.94Å; I442-Y444 HydrophobicContact CG1-CE2 3.95Å; I442-Y444 HydrophobicContact CG2-CD2 3.04Å; I442-Y444 HydrophobicContact CG2-CE2 3.91Å; I442-Y444 HydrophobicContact CG2-CG 3.62Å; I442-Y444 PolarHBondContact O-N 3.41Å
443	E	37.7	Very low	42.8	Very low	128 Å²	128	110.3 Å²	110.3	60%	0.598	57%	0.571	S	S	*	*			trans	-74.5	71.9	163.3	-150.2	179.9	-138.8	0	0	107.9
444	Y	41.2	Very low	42.6	Very low	46 Å²	46	109.9 Å²	109.9	18%	0.18	56%	0.559	C	S	.	*			trans	-132.6	110.5	176.1	-61.5	-103.3	0	0	0	106.2	I442 L461 L466 L522 V523	I442-Y444 HydrophobicContact CB-CD2 3.57Å; I442-Y444 HydrophobicContact CB-CE2 4.04Å; I442-Y444 HydrophobicContact CG1-CD2 3.94Å; I442-Y444 HydrophobicContact CG1-CE2 3.95Å; I442-Y444 HydrophobicContact CG2-CD2 3.04Å; I442-Y444 HydrophobicContact CG2-CE2 3.91Å; I442-Y444 HydrophobicContact CG2-CG 3.62Å; I442-Y444 PolarHBondContact O-N 3.41Å; Y444-L461 HydrophobicContact CE1-CB 3.62Å; Y444-L461 HydrophobicContact CE1-CG 4.49Å; Y444-L461 WeakPolarHBondContact CE1-O 3.5Å; Y444-L461 WeakPolarHBondContact OH-CB 3.34Å; Y444-L461 WeakPolarHBondContact OH-CD1 3.39Å; Y444-L466 HydrophobicContact CE1-CD1 4.19Å; Y444-L466 HydrophobicContact CE2-CD1 4.42Å; Y444-L466 HydrophobicContact CE2-CD2 4.45Å; Y444-L522 VanDerWaalsContact CE2-O 3.31Å; Y444-L522 WeakPolarHBondContact CE2-O 3.38Å; Y444-L522 PolarHBondContact OH-O 3.16Å; Y444-V523 WeakPolarHBondContact OH-CG2 3.48Å
445	M	35	Very low	41.9	Very low	125 Å²	125	116.7 Å²	116.7	62%	0.616	59%	0.589	S	S	*	*			trans	-165.2	89.3	133.9	-73.3	-138.2	87.6	0	0	106	N447	M445-N447 VanDerWaalsContact C-N 3.26Å; M445-N447 WeakPolarHBondContact CE-OD1 3.25Å; M445-N447 PolarHBondContact O-N 2.89Å; M445-N447 PolarHBondContact SD-OD1 3.38Å
446	Q	33.6	Very low	41.4	Very low	176 Å²	176	111.7 Å²	111.7	82%	0.822	58%	0.58	S	S	*	*				-69.5	107.4	129.4	-101.9	177.3	-9.6	0	0	103.5	D448	Q446-D448 VanDerWaalsContact C-N 3.32Å; Q446-D448 PolarHBondContact O-N 2.98Å
447	N	37	Very low	40.5	Very low	96 Å²	96	113.3 Å²	113.3	51%	0.513	59%	0.592	S	S	.	*			trans	-59.9	105.6	163	-89.2	-0.8	0	0	0	105.4	M445 N449	M445-N447 VanDerWaalsContact C-N 3.26Å; M445-N447 WeakPolarHBondContact CE-OD1 3.25Å; M445-N447 PolarHBondContact O-N 2.89Å; M445-N447 PolarHBondContact SD-OD1 3.38Å; N447-N449 HydrophobicContact CB-CB 4.35Å; N447-N449 PolarHBondContact O-N 3.46Å
448	D	35.9	Very low	39.8	Very low	151 Å²	151	117 Å²	117	81%	0.807	62%	0.616	S	S	*	*			trans	-67.8	71.8	158	-71.9	-25.3	0	0	0	107.4	Q446	Q446-D448 VanDerWaalsContact C-N 3.32Å; Q446-D448 PolarHBondContact O-N 2.98Å
449	N	35	Very low	39.4	Very low	135 Å²	135	117.7 Å²	117.7	72%	0.722	62%	0.617	S	S	*	*			trans	-110.6	95	165.7	-82.7	-10.4	0	0	0	106.6	N447	N447-N449 HydrophobicContact CB-CB 4.35Å; N447-N449 PolarHBondContact O-N 3.46Å
450	G	31.2	Very low	39.2	Very low	62 Å²	62	115.9 Å²	115.9	64%	0.639	62%	0.616	S	S	*	*	S	Bend	trans	89.4	115	157.5	0	0	0	0	0	115
451	D	32.7	Very low	40	Very low	151 Å²	151	112.8 Å²	112.8	81%	0.807	60%	0.601	S	S	*	*			trans	51	90.9	144.2	-55.6	-19.2	0	0	0	116
452	N	37	Very low	41.5	Very low	141 Å²	141	111.7 Å²	111.7	75%	0.754	60%	0.6	S	S	*	*			trans	-158.9	102	143.5	-92.3	-49.7	0	0	0	110.2	N454	N452-N454 PolarHBondContact O-N 2.91Å
453	D	37.4	Very low	42.9	Very low	170 Å²	170	113.4 Å²	113.4	91%	0.909	60%	0.604	S	S	*	*			trans	-64.1	57.2	166.2	-57	-45.9	0	0	0	111.5
454	N	35.8	Very low	44.8	Very low	114 Å²	114	113 Å²	113	61%	0.61	61%	0.607	S	S	*	*			trans	-109.7	112.9	174.1	-92	-39	0	0	0	109.3	N452 N456	N452-N454 PolarHBondContact O-N 2.91Å; N454-N456 PolarHBondContact O-N 3.37Å
455	E	34.2	Very low	46.8	Very low	199 Å²	199	113.8 Å²	113.8	93%	0.93	61%	0.611	S	S	*	*			trans	-62.8	55.8	174	-59.9	-158.4	155	0	0	113.6
456	N	37.2	Very low	49	Very low	133 Å²	133	108.7 Å²	108.7	71%	0.711	59%	0.586	S	S	*	*			trans	-109.3	117.8	169.9	-76.2	-54.1	0	0	0	107.7	N454	N454-N456 PolarHBondContact O-N 3.37Å
457	L	37.1	Very low	51.4	Low	147 Å²	147	102.3 Å²	102.3	77%	0.77	56%	0.558	S	S	*	*			trans	-36.3	136	-178.4	-85.4	85.3	0	0	0	112.1	M459	L457-M459 PolarHBondContact O-N 2.87Å
458	P	40.9	Very low	53.8	Low	93 Å²	93	101.7 Å²	101.7	60%	0.604	55%	0.548	S	S	*	.			trans	-68.8	89.2	173.4	29.6	-31.7	0	0	0	107.9	G460	P458-G460 PolarHBondContact O-N 2.99Å
459	M	48	Very low	56.3	Low	116 Å²	116	94.5 Å²	94.5	57%	0.571	51%	0.51	S	S	*	.			trans	-68.1	-6.3	173.8	-118	179	-71.2	0	0	111.7	L457 L518	L457-M459 PolarHBondContact O-N 2.87Å; M459-L518 HydrophobicContact SD-CD1 3.96Å
460	G	54.7	Low	58.8	Low	26 Å²	26	88.1 Å²	88.1	27%	0.268	48%	0.476	S	S	.	.	S	Bend	trans	-85.4	141.5	169.9	0	0	0	0	0	112.4	P458 T462	P458-G460 PolarHBondContact O-N 2.99Å; G460-T462 PolarHBondContact O-N 3.13Å; G460-T462 VanDerWaalsContact O-N 3.17Å
461	L	68.4	Low	61.6	Low	8 Å²	8	88.6 Å²	88.6	4%	0.042	46%	0.463	C	S	.	.			trans	-69.9	113.2	172.1	-60.4	156.5	0	0	0	109.9	Y444 K465 L466 I469 W502 G520 V523	Y444-L461 HydrophobicContact CE1-CB 3.62Å; Y444-L461 HydrophobicContact CE1-CG 4.49Å; Y444-L461 WeakPolarHBondContact CE1-O 3.5Å; Y444-L461 WeakPolarHBondContact OH-CB 3.34Å; Y444-L461 WeakPolarHBondContact OH-CD1 3.39Å; L461-K465 HydrophobicContact CD2-CB 4.16Å; L461-K465 HydrophobicContact CD2-CD 3.93Å; L461-L466 HydrophobicContact CB-CD2 4.18Å; L461-L466 HydrophobicContact CB-CG 4.22Å; L461-I469 HydrophobicContact CD2-CD1 4.24Å; L461-W502 HydrophobicContact CD1-CH2 3.87Å; L461-W502 HydrophobicContact CD1-CZ3 4.35Å; L461-W502 HydrophobicContact CD2-CH2 3.49Å; L461-W502 VanDerWaalsContact CD2-CH2 3.49Å; L461-W502 HydrophobicContact CD2-CZ2 3.88Å; L461-W502 HydrophobicContact CG-CH2 4.34Å; L461-G520 WeakPolarHBondContact CG-O 3.42Å; L461-G520 PolarHBondContact N-O 2.86Å; L461-V523 HydrophobicContact CD1-CG2 3.28Å
462	T	74.7	Confident	64.3	Low	58 Å²	58	82.1 Å²	82.1	36%	0.356	43%	0.429	S	S	.	.			trans	-64	158	174.6	61.8	0	0	0	0	110.5	G460 D464 K465 L466	G460-T462 PolarHBondContact O-N 3.13Å; G460-T462 VanDerWaalsContact O-N 3.17Å; T462-D464 PolarHBondContact O-N 3.36Å; T462-D464 VanDerWaalsContact O-N 3.16Å; T462-K465 WeakPolarHBondContact O-CB 3.49Å; T462-K465 PolarHBondContact O-N 2.77Å; T462-K465 WeakPolarHBondContact OG1-CG 3.35Å; T462-K465 PolarHBondContact OG1-N 2.84Å; T462-L466 PolarHBondContact O-N 2.8Å
463	K	76.8	Confident	66.8	Low	106 Å²	106	75.4 Å²	75.4	46%	0.461	39%	0.393	S	S	.	.	H	α-helix	trans	-53.7	-36.8	177.1	-172.1	-178.6	177.8	-170.3	0	112.1	S430 L466 N467	S430-K463 PolarHBondContact O-NZ 2.82Å; S430-K463 VanDerWaalsContact O-NZ 3.1Å; S430-K463 PolarHBondContact OG-NZ 3.36Å; K463-L466 PolarHBondContact O-N 2.85Å; K463-N467 WeakPolarHBondContact O-CB 3.12Å; K463-N467 VanDerWaalsContact O-CG 3.25Å; K463-N467 PolarHBondContact O-N 3.17Å; K463-N467 PolarHBondContact O-ND2 3.22Å
464	D	77.5	Confident	69.2	Low	121 Å²	121	69.5 Å²	69.5	65%	0.647	36%	0.358	S	S	*	.	H	α-helix	trans	-68.8	-40.7	178.9	-60.4	-30.4	0	0	0	112.2	T462 L466 N467 W468	T462-D464 PolarHBondContact O-N 3.36Å; T462-D464 VanDerWaalsContact O-N 3.16Å; D464-L466 VanDerWaalsContact C-N 3.34Å; D464-N467 PolarHBondContact O-N 3Å; D464-W468 WeakPolarHBondContact O-CB 3.32Å; D464-W468 PolarHBondContact O-N 3Å
465	K	82.2	Confident	71.8	Confident	62 Å²	62	69 Å²	69	27%	0.27	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-43.4	172.4	-73.2	-178.2	-177.9	177	0	111	L461 T462 W468 I469 F498	L461-K465 HydrophobicContact CD2-CB 4.16Å; L461-K465 HydrophobicContact CD2-CD 3.93Å; T462-K465 WeakPolarHBondContact O-CB 3.49Å; T462-K465 PolarHBondContact O-N 2.77Å; T462-K465 WeakPolarHBondContact OG1-CG 3.35Å; T462-K465 PolarHBondContact OG1-N 2.84Å; K465-W468 PolarHBondContact O-N 2.9Å; K465-I469 WeakPolarHBondContact O-CB 3.18Å; K465-I469 WeakPolarHBondContact O-CG1 3.33Å; K465-I469 PolarHBondContact O-N 3.26Å; K465-F498 HydrophobicContact CD-CE1 4.18Å; K465-F498 HydrophobicContact CG-CE1 3.96Å; K465-F498 HydrophobicContact CG-CZ 4.11Å
466	L	82.6	Confident	74.5	Confident	18 Å²	18	59.6 Å²	59.6	9%	0.094	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-43.7	176.9	-71.5	175.8	0	0	0	112.5	Y444 L461 T462 K463 D464 W468 I469 T470 V523	Y444-L466 HydrophobicContact CE1-CD1 4.19Å; Y444-L466 HydrophobicContact CE2-CD1 4.42Å; Y444-L466 HydrophobicContact CE2-CD2 4.45Å; L461-L466 HydrophobicContact CB-CD2 4.18Å; L461-L466 HydrophobicContact CB-CG 4.22Å; T462-L466 PolarHBondContact O-N 2.8Å; K463-L466 PolarHBondContact O-N 2.85Å; D464-L466 VanDerWaalsContact C-N 3.34Å; L466-W468 VanDerWaalsContact C-N 3.33Å; L466-W468 PolarHBondContact O-N 2.78Å; L466-I469 PolarHBondContact O-N 3.5Å; L466-T470 WeakPolarHBondContact O-CB 3.33Å; L466-T470 PolarHBondContact O-N 3.15Å; L466-T470 PolarHBondContact O-OG1 3.07Å; L466-V523 HydrophobicContact CD2-CB 4.34Å; L466-V523 HydrophobicContact CD2-CG1 3.64Å; L466-V523 HydrophobicContact CD2-CG2 3.67Å
467	N	83.1	Confident	76.9	Confident	42 Å²	42	54.7 Å²	54.7	23%	0.225	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-44.4	175.5	-73.7	-21	0	0	0	111.1	L431 K463 D464 T470 N471	L431-N467 WeakPolarHBondContact CD2-OD1 3.36Å; K463-N467 WeakPolarHBondContact O-CB 3.12Å; K463-N467 VanDerWaalsContact O-CG 3.25Å; K463-N467 PolarHBondContact O-N 3.17Å; K463-N467 PolarHBondContact O-ND2 3.22Å; D464-N467 PolarHBondContact O-N 3Å; N467-T470 PolarHBondContact O-N 2.75Å; N467-N471 WeakPolarHBondContact O-CB 3.22Å; N467-N471 VanDerWaalsContact O-CG 3.22Å; N467-N471 PolarHBondContact O-N 3.29Å; N467-N471 PolarHBondContact O-ND2 3.1Å
468	W	88.8	Confident	79.3	Confident	83 Å²	83	54.7 Å²	54.7	31%	0.314	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-49.1	177.4	-170.7	96.4	0	0	0	111.6	D464 K465 L466 T470 N471 L472 L494 H497 F498	D464-W468 WeakPolarHBondContact O-CB 3.32Å; D464-W468 PolarHBondContact O-N 3Å; K465-W468 PolarHBondContact O-N 2.9Å; L466-W468 VanDerWaalsContact C-N 3.33Å; L466-W468 PolarHBondContact O-N 2.78Å; W468-T470 VanDerWaalsContact C-N 3.3Å; W468-T470 PolarHBondContact O-N 3.24Å; W468-N471 PolarHBondContact O-N 2.89Å; W468-N471 VanDerWaalsContact O-N 3.17Å; W468-L472 HydrophobicContact CE3-CB 4.35Å; W468-L472 HydrophobicContact CE3-CD2 4.39Å; W468-L472 HydrophobicContact CH2-CB 4.48Å; W468-L472 HydrophobicContact CH2-CD1 4.42Å; W468-L472 HydrophobicContact CH2-CD2 3.83Å; W468-L472 HydrophobicContact CH2-CG 4.46Å; W468-L472 HydrophobicContact CZ3-CB 4.13Å; W468-L472 HydrophobicContact CZ3-CD2 3.49Å; W468-L472 VanDerWaalsContact CZ3-CD2 3.49Å; W468-L472 HydrophobicContact CZ3-CG 4.31Å; W468-L472 WeakPolarHBondContact O-CB 3.31Å; W468-L472 PolarHBondContact O-N 3.45Å; W468-L494 HydrophobicContact CZ3-CD2 3.95Å; W468-H497 AromaticContact CE2-CD2 3.86Å; W468-H497 AromaticContact CE2-NE2 3.89Å; W468-H497 HydrophobicContact CH2-CB 3.85Å; W468-H497 AromaticContact CH2-CD2 3.92Å; W468-H497 AromaticContact CH2-CG 3.87Å; W468-H497 HydrophobicContact CZ2-CB 4.18Å; W468-H497 AromaticContact CZ2-CD2 3.32Å; W468-H497 WeakPolarHBondContact CZ2-CD2 3.4Å; W468-H497 AromaticContact CZ2-CG 3.71Å; W468-H497 AromaticContact CZ2-NE2 3.83Å; W468-H497 HydrophobicContact CZ3-CB 4.48Å; W468-H497 AromaticContact NE1-NE2 3.81Å; W468-F498 HydrophobicContact CD2-CE2 4.43Å; W468-F498 HydrophobicContact CD2-CZ 4.35Å; W468-F498 AromaticContact CE3-CE2 3.67Å; W468-F498 HydrophobicContact CE3-CE2 3.67Å; W468-F498 HydrophobicContact CE3-CZ 4.01Å; W468-F498 AromaticContact CZ3-CE2 3.74Å; W468-F498 HydrophobicContact CZ3-CE2 3.74Å; W468-F498 HydrophobicContact CZ3-CZ 4.43Å
469	I	88.3	Confident	81.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-42.5	177.5	-69.6	167.9	0	0	0	111.3	L461 K465 L466 L472 A473 L494 F498 W502 V523 F525 L534	L461-I469 HydrophobicContact CD2-CD1 4.24Å; K465-I469 WeakPolarHBondContact O-CB 3.18Å; K465-I469 WeakPolarHBondContact O-CG1 3.33Å; K465-I469 PolarHBondContact O-N 3.26Å; L466-I469 PolarHBondContact O-N 3.5Å; I469-L472 PolarHBondContact O-N 2.79Å; I469-A473 PolarHBondContact O-N 2.63Å; I469-L494 HydrophobicContact CD1-CD2 4.39Å; I469-L494 HydrophobicContact CG1-CD2 3.83Å; I469-F498 HydrophobicContact CG1-CE2 4.47Å; I469-W502 HydrophobicContact CD1-CH2 3.63Å; I469-W502 HydrophobicContact CD1-CZ2 4.36Å; I469-W502 HydrophobicContact CD1-CZ3 4.27Å; I469-V523 HydrophobicContact CD1-CG2 4.27Å; I469-F525 HydrophobicContact CG2-CE1 3.94Å; I469-F525 HydrophobicContact CG2-CZ 4.19Å; I469-L534 HydrophobicContact CG2-CD1 3.27Å
470	T	86.8	Confident	83.1	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-67.2	-38.9	179.6	-51.1	0	0	0	0	111.2	V437 L466 N467 W468 A473 R474 I527	V437-T470 HydrophobicContact CB-CG2 4.41Å; V437-T470 HydrophobicContact CG1-CG2 3.89Å; V437-T470 HydrophobicContact CG2-CG2 3.89Å; L466-T470 WeakPolarHBondContact O-CB 3.33Å; L466-T470 PolarHBondContact O-N 3.15Å; L466-T470 PolarHBondContact O-OG1 3.07Å; N467-T470 PolarHBondContact O-N 2.75Å; W468-T470 VanDerWaalsContact C-N 3.3Å; W468-T470 PolarHBondContact O-N 3.24Å; T470-A473 PolarHBondContact O-N 2.98Å; T470-R474 VanDerWaalsContact CG2-NH2 3.26Å; T470-R474 PolarHBondContact O-N 3.5Å; T470-R474 VanDerWaalsContact O-N 3.14Å; T470-I527 HydrophobicContact CG2-CD1 4.27Å
471	N	88.9	Confident	84.4	Confident	71 Å²	71	60.8 Å²	60.8	38%	0.38	29%	0.29	S	S	.	.	H	α-helix	trans	-67	-43.6	175.6	-70.3	-15.9	0	0	0	111.4	N467 W468 A473 R474 E475	N467-N471 WeakPolarHBondContact O-CB 3.22Å; N467-N471 VanDerWaalsContact O-CG 3.22Å; N467-N471 PolarHBondContact O-N 3.29Å; N467-N471 PolarHBondContact O-ND2 3.1Å; W468-N471 PolarHBondContact O-N 2.89Å; W468-N471 VanDerWaalsContact O-N 3.17Å; N471-A473 VanDerWaalsContact C-N 3.28Å; N471-A473 PolarHBondContact O-N 3.03Å; N471-R474 PolarHBondContact O-N 3.38Å; N471-R474 VanDerWaalsContact O-N 3.08Å; N471-R474 PolarHBondContact OD1-NH1 2.72Å; N471-E475 WeakPolarHBondContact O-CG 3.31Å; N471-E475 PolarHBondContact O-N 3.34Å
472	L	91	Very high	85.2	Confident	16 Å²	16	64.2 Å²	64.2	8%	0.084	31%	0.309	C	S	.	.	H	α-helix	trans	-55.1	-44.2	173.1	174.9	68.9	0	0	0	111.3	W468 I469 R474 E475 S476 M490 T493 L494	W468-L472 HydrophobicContact CE3-CB 4.35Å; W468-L472 HydrophobicContact CE3-CD2 4.39Å; W468-L472 HydrophobicContact CH2-CB 4.48Å; W468-L472 HydrophobicContact CH2-CD1 4.42Å; W468-L472 HydrophobicContact CH2-CD2 3.83Å; W468-L472 HydrophobicContact CH2-CG 4.46Å; W468-L472 HydrophobicContact CZ3-CB 4.13Å; W468-L472 HydrophobicContact CZ3-CD2 3.49Å; W468-L472 VanDerWaalsContact CZ3-CD2 3.49Å; W468-L472 HydrophobicContact CZ3-CG 4.31Å; W468-L472 WeakPolarHBondContact O-CB 3.31Å; W468-L472 PolarHBondContact O-N 3.45Å; I469-L472 PolarHBondContact O-N 2.79Å; L472-R474 PolarHBondContact O-N 3.24Å; L472-E475 PolarHBondContact O-N 2.79Å; L472-S476 VanDerWaalsContact O-CB 3.25Å; L472-S476 WeakPolarHBondContact O-CB 3.3Å; L472-S476 PolarHBondContact O-N 3.02Å; L472-S476 PolarHBondContact O-OG 2.9Å; L472-M490 HydrophobicContact CD2-CE 4.16Å; L472-M490 HydrophobicContact CD2-SD 3.96Å; L472-M490 HydrophobicContact CG-CE 4.46Å; L472-M490 HydrophobicContact CG-SD 3.85Å; L472-T493 HydrophobicContact CD1-CG2 4.26Å; L472-T493 VanDerWaalsContact CD2-OG1 3.22Å; L472-T493 WeakPolarHBondContact CD2-OG1 3.36Å; L472-L494 HydrophobicContact CD2-CD2 4.16Å; L472-L494 HydrophobicContact CD2-CG 4.13Å
473	A	89.1	Confident	85.7	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-39.8	177.1	0	0	0	0	0	112.4	I469 T470 N471 S476 L477 M490 F525 I527 F532	I469-A473 PolarHBondContact O-N 2.63Å; T470-A473 PolarHBondContact O-N 2.98Å; N471-A473 VanDerWaalsContact C-N 3.28Å; N471-A473 PolarHBondContact O-N 3.03Å; A473-S476 PolarHBondContact O-N 3.3Å; A473-L477 WeakPolarHBondContact O-CB 3.09Å; A473-L477 VanDerWaalsContact O-CG 3.25Å; A473-L477 WeakPolarHBondContact O-CG 3.39Å; A473-L477 PolarHBondContact O-N 3.38Å; A473-M490 HydrophobicContact CB-CE 4.02Å; A473-M490 HydrophobicContact CB-SD 4.12Å; A473-F525 HydrophobicContact CB-CE2 3.63Å; A473-F525 HydrophobicContact CB-CZ 3.64Å; A473-I527 HydrophobicContact CB-CD1 3.87Å; A473-F532 HydrophobicContact CB-CD1 4.26Å; A473-F532 HydrophobicContact CB-CE1 4Å; A473-F532 HydrophobicContact CB-CE2 4.41Å; A473-F532 HydrophobicContact CB-CZ 4.09Å
474	R	88.2	Confident	85.8	Confident	45 Å²	45	60.6 Å²	60.6	17%	0.17	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-45.6	174.5	-68	-167.6	-158.4	99.7	7.4	112.1	N434 T470 N471 L472 S476 L477 I478 I527	N434-R474 PolarHBondContact ND2-NH1 2.86Å; N434-R474 PolarHBondContact ND2-NH2 3.22Å; N434-R474 PolarHBondContact OD1-NE 3.43Å; N434-R474 PolarHBondContact OD1-NH1 3.42Å; N434-R474 PolarHBondContact OD1-NH2 2.86Å; T470-R474 VanDerWaalsContact CG2-NH2 3.26Å; T470-R474 PolarHBondContact O-N 3.5Å; T470-R474 VanDerWaalsContact O-N 3.14Å; N471-R474 PolarHBondContact O-N 3.38Å; N471-R474 VanDerWaalsContact O-N 3.08Å; N471-R474 PolarHBondContact OD1-NH1 2.72Å; L472-R474 PolarHBondContact O-N 3.24Å; R474-S476 VanDerWaalsContact C-N 3.29Å; R474-S476 PolarHBondContact O-N 3.08Å; R474-L477 PolarHBondContact O-N 3.39Å; R474-I478 WeakPolarHBondContact O-CG1 3.28Å; R474-I478 PolarHBondContact O-N 3.46Å; R474-I527 HydrophobicContact CG-CD1 3.64Å; R474-I527 HydrophobicContact CG-CG2 4.43Å
475	E	89.7	Confident	86.3	Confident	105 Å²	105	57.4 Å²	57.4	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-39.2	177.8	-71.1	179.6	-169.2	0	0	111.7	N471 L472 I478 K479	N471-E475 WeakPolarHBondContact O-CG 3.31Å; N471-E475 PolarHBondContact O-N 3.34Å; L472-E475 PolarHBondContact O-N 2.79Å; E475-I478 WeakPolarHBondContact O-CB 3.17Å; E475-I478 PolarHBondContact O-N 3.43Å; E475-K479 WeakPolarHBondContact O-CG 3.31Å; E475-K479 PolarHBondContact O-N 2.79Å
476	S	89.8	Confident	86.6	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-68.2	-38.1	178.6	-58.5	0	0	0	0	111.9	L472 A473 R474 I478 K479 T480	L472-S476 VanDerWaalsContact O-CB 3.25Å; L472-S476 WeakPolarHBondContact O-CB 3.3Å; L472-S476 PolarHBondContact O-N 3.02Å; L472-S476 PolarHBondContact O-OG 2.9Å; A473-S476 PolarHBondContact O-N 3.3Å; R474-S476 VanDerWaalsContact C-N 3.29Å; R474-S476 PolarHBondContact O-N 3.08Å; S476-I478 PolarHBondContact O-N 3.48Å; S476-K479 PolarHBondContact O-N 3Å; S476-K479 VanDerWaalsContact O-N 3.15Å; S476-T480 PolarHBondContact O-N 3.25Å; S476-T480 PolarHBondContact O-OG1 3.46Å
477	L	88	Confident	86.9	Confident	29 Å²	29	54.1 Å²	54.1	15%	0.152	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-27.4	173.6	-77.3	169.8	0	0	0	113.4	A473 R474 L486 I527 W530 F532	A473-L477 WeakPolarHBondContact O-CB 3.09Å; A473-L477 VanDerWaalsContact O-CG 3.25Å; A473-L477 WeakPolarHBondContact O-CG 3.39Å; A473-L477 PolarHBondContact O-N 3.38Å; R474-L477 PolarHBondContact O-N 3.39Å; L477-L486 HydrophobicContact CD2-CD2 3.58Å; L477-L486 HydrophobicContact CG-CD2 4.34Å; L477-I527 HydrophobicContact CD1-CB 4.03Å; L477-I527 HydrophobicContact CD1-CD1 4.43Å; L477-I527 HydrophobicContact CD1-CG2 4Å; L477-W530 HydrophobicContact CD1-CG 4.5Å; L477-W530 HydrophobicContact CD2-CB 4.33Å; L477-W530 HydrophobicContact CD2-CD2 3.64Å; L477-W530 HydrophobicContact CD2-CE3 4.22Å; L477-W530 HydrophobicContact CD2-CG 3.66Å; L477-W530 HydrophobicContact CD2-CZ2 4.36Å; L477-F532 HydrophobicContact CD1-CE2 4.01Å; L477-F532 HydrophobicContact CD1-CZ 3.77Å; L477-F532 HydrophobicContact CD2-CZ 4.08Å; L477-F532 HydrophobicContact CG-CZ 3.89Å
478	I	87.1	Confident	87.1	Confident	147 Å²	147	57.3 Å²	57.3	75%	0.754	28%	0.278	S	S	*	.	H	α-helix	trans	-73.9	-37.6	174	-64.7	164.5	0	0	0	110.4	R474 E475 S476	R474-I478 WeakPolarHBondContact O-CG1 3.28Å; R474-I478 PolarHBondContact O-N 3.46Å; E475-I478 WeakPolarHBondContact O-CB 3.17Å; E475-I478 PolarHBondContact O-N 3.43Å; S476-I478 PolarHBondContact O-N 3.48Å
479	K	85.8	Confident	87.2	Confident	144 Å²	144	55.2 Å²	55.2	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-74.8	-44.7	-177.4	-69.4	173.3	-177.2	174.6	0	113	E475 S476 L489	E475-K479 WeakPolarHBondContact O-CG 3.31Å; E475-K479 PolarHBondContact O-N 2.79Å; S476-K479 PolarHBondContact O-N 3Å; S476-K479 VanDerWaalsContact O-N 3.15Å; K479-L489 HydrophobicContact CD-CD2 4.31Å
480	T	84.9	Confident	87.3	Confident	39 Å²	39	55.2 Å²	55.2	24%	0.239	27%	0.273	C	S	.	.			trans	-140.6	133.8	-172.1	58.9	0	0	0	0	111.4	S476	S476-T480 PolarHBondContact O-N 3.25Å; S476-T480 PolarHBondContact O-OG1 3.46Å
481	K	80.9	Confident	87.4	Confident	180 Å²	180	57.1 Å²	57.1	78%	0.783	28%	0.281	S	S	*	.			trans	-99.5	-3.3	171.6	-66.4	-178.4	-179	174.6	0	113.4	W530	K481-W530 WeakPolarHBondContact O-CH2 3.29Å
482	D	84.5	Confident	87.4	Confident	80 Å²	80	58.8 Å²	58.8	43%	0.428	29%	0.287	S	S	.	.			trans	-79.7	134.1	177.1	175.5	44.8	0	0	0	110.4	S485 L486	D482-S485 WeakPolarHBondContact OD2-CB 3.18Å; D482-S485 PolarHBondContact OD2-N 3.39Å; D482-S485 VanDerWaalsContact OD2-N 3.12Å; D482-S485 PolarHBondContact OD2-OG 3.29Å; D482-L486 WeakPolarHBondContact O-CB 3.23Å; D482-L486 PolarHBondContact O-N 3.19Å
483	L	85.3	Confident	87.4	Confident	35 Å²	35	59.5 Å²	59.5	18%	0.183	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-45.2	-174.1	-80.7	160.6	0	0	0	111.6	L486 A487 W530	L483-L486 PolarHBondContact O-N 3.31Å; L483-A487 WeakPolarHBondContact O-CB 3.41Å; L483-A487 PolarHBondContact O-N 2.84Å; L483-W530 HydrophobicContact CD2-CE3 4.23Å; L483-W530 HydrophobicContact CD2-CH2 4.17Å; L483-W530 HydrophobicContact CD2-CZ3 3.42Å; L483-W530 VanDerWaalsContact CD2-CZ3 3.42Å; L483-W530 HydrophobicContact CG-CH2 4.33Å; L483-W530 HydrophobicContact CG-CZ3 4.03Å
484	D	80.2	Confident	87.4	Confident	54 Å²	54	59.5 Å²	59.5	29%	0.289	29%	0.292	S	S	.	.	H	α-helix	trans	-66.5	-50.5	-177.9	-79.1	-42.4	0	0	0	111.5	I69 L486 A487 K488	I69-D484 WeakPolarHBondContact CD1-OD1 3.35Å; I69-D484 VanDerWaalsContact CD1-OD2 3.31Å; I69-D484 WeakPolarHBondContact CD1-OD2 3.45Å; I69-D484 WeakPolarHBondContact CG2-OD1 3.44Å; D484-L486 VanDerWaalsContact C-N 3.26Å; D484-L486 PolarHBondContact O-N 3.15Å; D484-A487 PolarHBondContact O-N 2.93Å; D484-K488 VanDerWaalsContact O-CB 3.28Å; D484-K488 WeakPolarHBondContact O-CB 3.46Å; D484-K488 PolarHBondContact O-N 3.14Å
485	S	87	Confident	87.4	Confident	54 Å²	54	58.3 Å²	58.3	38%	0.378	29%	0.289	S	S	.	.	H	α-helix	trans	-58.8	-39.9	177.4	-58.5	0	0	0	0	111.6	D482 L489	D482-S485 WeakPolarHBondContact OD2-CB 3.18Å; D482-S485 PolarHBondContact OD2-N 3.39Å; D482-S485 VanDerWaalsContact OD2-N 3.12Å; D482-S485 PolarHBondContact OD2-OG 3.29Å; S485-L489 WeakPolarHBondContact O-CB 3.49Å; S485-L489 PolarHBondContact O-N 3.19Å
486	L	89.1	Confident	87.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-69.9	-46.2	179.8	-178.7	57.5	0	0	0	112.3	L477 D482 L483 D484 K488 L489 M490 V506 W530 F532	L477-L486 HydrophobicContact CD2-CD2 3.58Å; L477-L486 HydrophobicContact CG-CD2 4.34Å; D482-L486 WeakPolarHBondContact O-CB 3.23Å; D482-L486 PolarHBondContact O-N 3.19Å; L483-L486 PolarHBondContact O-N 3.31Å; D484-L486 VanDerWaalsContact C-N 3.26Å; D484-L486 PolarHBondContact O-N 3.15Å; L486-K488 VanDerWaalsContact C-N 3.33Å; L486-K488 PolarHBondContact O-N 3.31Å; L486-L489 PolarHBondContact O-N 2.73Å; L486-M490 HydrophobicContact CD1-CG 4.37Å; L486-M490 WeakPolarHBondContact O-CB 3.46Å; L486-M490 VanDerWaalsContact O-CG 3.23Å; L486-M490 WeakPolarHBondContact O-CG 3.14Å; L486-M490 PolarHBondContact O-N 3.17Å; L486-V506 HydrophobicContact CD2-CG1 3.63Å; L486-V506 HydrophobicContact CG-CG1 4.08Å; L486-V506 HydrophobicContact CG-CG2 4.44Å; L486-W530 HydrophobicContact CD2-CE3 3.92Å; L486-W530 HydrophobicContact CD2-CH2 4.36Å; L486-W530 HydrophobicContact CD2-CZ3 3.77Å; L486-F532 HydrophobicContact CD2-CE1 4.23Å; L486-F532 HydrophobicContact CD2-CZ 4.29Å; L486-F532 HydrophobicContact CG-CE1 4.41Å
487	A	88	Confident	87.2	Confident	10 Å²	10	66.4 Å²	66.4	8%	0.083	33%	0.326	C	S	.	.	H	α-helix	trans	-63.1	-41.7	177.6	0	0	0	0	0	111.6	L483 D484 K491 V506	L483-A487 WeakPolarHBondContact O-CB 3.41Å; L483-A487 PolarHBondContact O-N 2.84Å; D484-A487 PolarHBondContact O-N 2.93Å; A487-K491 WeakPolarHBondContact O-CB 3.23Å; A487-K491 PolarHBondContact O-N 3.3Å; A487-V506 HydrophobicContact CB-CB 4.41Å; A487-V506 HydrophobicContact CB-CG2 4.11Å
488	K	88.9	Confident	86.9	Confident	110 Å²	110	67.7 Å²	67.7	48%	0.478	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-49.7	175.5	-176.9	177.1	175.8	-180	0	111.7	D484 L486 M490 K491 E492	D484-K488 VanDerWaalsContact O-CB 3.28Å; D484-K488 WeakPolarHBondContact O-CB 3.46Å; D484-K488 PolarHBondContact O-N 3.14Å; L486-K488 VanDerWaalsContact C-N 3.33Å; L486-K488 PolarHBondContact O-N 3.31Å; K488-M490 VanDerWaalsContact C-N 3.33Å; K488-M490 PolarHBondContact O-N 3.29Å; K488-K491 PolarHBondContact O-N 2.86Å; K488-K491 VanDerWaalsContact O-N 3.15Å; K488-E492 WeakPolarHBondContact CE-OE1 3.43Å; K488-E492 HydrophobicContact CG-CG 4.32Å; K488-E492 IonicContact NZ-OE1 3.31Å; K488-E492 WeakPolarHBondContact O-CG 2.84Å; K488-E492 PolarHBondContact O-N 3.49Å
489	L	89.5	Confident	86.7	Confident	39 Å²	39	62.1 Å²	62.1	20%	0.204	31%	0.31	C	S	.	.	H	α-helix	trans	-57.6	-46.1	178.2	178.4	64.2	0	0	0	111.4	K479 S485 L486 T493	K479-L489 HydrophobicContact CD-CD2 4.31Å; S485-L489 WeakPolarHBondContact O-CB 3.49Å; S485-L489 PolarHBondContact O-N 3.19Å; L486-L489 PolarHBondContact O-N 2.73Å; L489-T493 HydrophobicContact CD1-CG2 4.01Å; L489-T493 WeakPolarHBondContact O-CB 3.08Å; L489-T493 VanDerWaalsContact O-CG2 3.31Å; L489-T493 WeakPolarHBondContact O-CG2 3.29Å; L489-T493 PolarHBondContact O-N 3.3Å; L489-T493 PolarHBondContact O-OG1 3.07Å
490	M	90.3	Very high	86.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-47.5	176	-74.3	-67.4	-63.7	0	0	111.3	L472 A473 L486 K488 T493 L494 F532 L534	L472-M490 HydrophobicContact CD2-CE 4.16Å; L472-M490 HydrophobicContact CD2-SD 3.96Å; L472-M490 HydrophobicContact CG-CE 4.46Å; L472-M490 HydrophobicContact CG-SD 3.85Å; A473-M490 HydrophobicContact CB-CE 4.02Å; A473-M490 HydrophobicContact CB-SD 4.12Å; L486-M490 HydrophobicContact CD1-CG 4.37Å; L486-M490 WeakPolarHBondContact O-CB 3.46Å; L486-M490 VanDerWaalsContact O-CG 3.23Å; L486-M490 WeakPolarHBondContact O-CG 3.14Å; L486-M490 PolarHBondContact O-N 3.17Å; K488-M490 VanDerWaalsContact C-N 3.33Å; K488-M490 PolarHBondContact O-N 3.29Å; M490-T493 PolarHBondContact O-OG1 3.14Å; M490-T493 VanDerWaalsContact O-OG1 3.13Å; M490-L494 HydrophobicContact CE-CD1 4.46Å; M490-L494 VanDerWaalsContact O-CB 3.3Å; M490-L494 WeakPolarHBondContact O-CB 3.37Å; M490-L494 VanDerWaalsContact O-CD1 3.31Å; M490-L494 WeakPolarHBondContact O-CD1 3.34Å; M490-L494 WeakPolarHBondContact O-CG 3.38Å; M490-L494 PolarHBondContact O-N 3.36Å; M490-F532 HydrophobicContact CE-CD1 4.49Å; M490-L534 HydrophobicContact CE-CD1 3.81Å; M490-L534 HydrophobicContact CE-CD2 4.14Å
491	K	89.7	Confident	86	Confident	41 Å²	41	65.4 Å²	65.4	18%	0.178	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-49.8	-180	-174.5	-174.5	-179.3	-59.3	0	111.8	L71 A487 K488 L494 D495 W502	L71-K491 HydrophobicContact CB-CD 4.45Å; A487-K491 WeakPolarHBondContact O-CB 3.23Å; A487-K491 PolarHBondContact O-N 3.3Å; K488-K491 PolarHBondContact O-N 2.86Å; K488-K491 VanDerWaalsContact O-N 3.15Å; K491-L494 PolarHBondContact O-N 3Å; K491-D495 IonicContact NZ-OD2 3.29Å; K491-D495 PolarHBondContact NZ-OD2 3.44Å; K491-D495 VanDerWaalsContact O-CB 3.29Å; K491-D495 WeakPolarHBondContact O-CB 3.37Å; K491-D495 VanDerWaalsContact O-CG 3.31Å; K491-D495 PolarHBondContact O-N 3.47Å; K491-W502 WeakPolarHBondContact CE-O 3.33Å
492	E	89.4	Confident	86.2	Confident	106 Å²	106	56.9 Å²	56.9	50%	0.495	29%	0.286	S	S	.	.	H	α-helix	trans	-63.1	-44.1	-176.8	-72.8	176.7	166.5	0	0	111.9	K488 D495 E496	K488-E492 WeakPolarHBondContact CE-OE1 3.43Å; K488-E492 HydrophobicContact CG-CG 4.32Å; K488-E492 IonicContact NZ-OE1 3.31Å; K488-E492 WeakPolarHBondContact O-CG 2.84Å; K488-E492 PolarHBondContact O-N 3.49Å; E492-D495 PolarHBondContact O-N 3.48Å; E492-E496 WeakPolarHBondContact O-CB 3.26Å; E492-E496 PolarHBondContact O-N 3.37Å
493	T	90.1	Very high	86.2	Confident	31 Å²	31	53.1 Å²	53.1	19%	0.19	27%	0.266	C	S	.	.	H	α-helix	trans	-68.8	-35.9	178.7	51	0	0	0	0	112.7	L472 L489 M490 H497	L472-T493 HydrophobicContact CD1-CG2 4.26Å; L472-T493 VanDerWaalsContact CD2-OG1 3.22Å; L472-T493 WeakPolarHBondContact CD2-OG1 3.36Å; L489-T493 HydrophobicContact CD1-CG2 4.01Å; L489-T493 WeakPolarHBondContact O-CB 3.08Å; L489-T493 VanDerWaalsContact O-CG2 3.31Å; L489-T493 WeakPolarHBondContact O-CG2 3.29Å; L489-T493 PolarHBondContact O-N 3.3Å; L489-T493 PolarHBondContact O-OG1 3.07Å; M490-T493 PolarHBondContact O-OG1 3.14Å; M490-T493 VanDerWaalsContact O-OG1 3.13Å; T493-H497 WeakPolarHBondContact O-CB 3Å; T493-H497 PolarHBondContact O-N 2.92Å
494	L	88.8	Confident	86.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68.3	-42.7	173.3	-71.1	168.5	0	0	0	111.8	W468 I469 L472 M490 K491 E496 H497 F498 W502 L534	W468-L494 HydrophobicContact CZ3-CD2 3.95Å; I469-L494 HydrophobicContact CD1-CD2 4.39Å; I469-L494 HydrophobicContact CG1-CD2 3.83Å; L472-L494 HydrophobicContact CD2-CD2 4.16Å; L472-L494 HydrophobicContact CD2-CG 4.13Å; M490-L494 HydrophobicContact CE-CD1 4.46Å; M490-L494 VanDerWaalsContact O-CB 3.3Å; M490-L494 WeakPolarHBondContact O-CB 3.37Å; M490-L494 VanDerWaalsContact O-CD1 3.31Å; M490-L494 WeakPolarHBondContact O-CD1 3.34Å; M490-L494 WeakPolarHBondContact O-CG 3.38Å; M490-L494 PolarHBondContact O-N 3.36Å; K491-L494 PolarHBondContact O-N 3Å; L494-E496 VanDerWaalsContact C-N 3.3Å; L494-E496 PolarHBondContact O-N 3.47Å; L494-H497 PolarHBondContact O-N 3.1Å; L494-F498 HydrophobicContact CD2-CD2 4.02Å; L494-F498 HydrophobicContact CD2-CE2 4.09Å; L494-F498 WeakPolarHBondContact O-CB 3.47Å; L494-F498 PolarHBondContact O-N 3.24Å; L494-W502 HydrophobicContact CB-CB 3.9Å; L494-W502 HydrophobicContact CB-CD2 4.05Å; L494-W502 HydrophobicContact CB-CG 3.68Å; L494-W502 HydrophobicContact CD1-CB 4.42Å; L494-W502 HydrophobicContact CD1-CD2 4.21Å; L494-W502 HydrophobicContact CD1-CE3 4.05Å; L494-W502 HydrophobicContact CD1-CG 4.42Å; L494-W502 HydrophobicContact CD2-CD2 4.49Å; L494-W502 HydrophobicContact CD2-CZ2 4.46Å; L494-W502 HydrophobicContact CG-CD2 4.49Å; L494-L534 HydrophobicContact CD1-CD1 4.04Å; L494-L534 HydrophobicContact CD1-CD2 3.75Å; L494-L534 HydrophobicContact CD1-CG 4.39Å
495	D	89.2	Confident	86.5	Confident	19 Å²	19	49.8 Å²	49.8	10%	0.102	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-34.8	177.9	-80.4	-16.6	0	0	0	112.2	K491 E492 G499 K500 I501 W502	K491-D495 IonicContact NZ-OD2 3.29Å; K491-D495 PolarHBondContact NZ-OD2 3.44Å; K491-D495 VanDerWaalsContact O-CB 3.29Å; K491-D495 WeakPolarHBondContact O-CB 3.37Å; K491-D495 VanDerWaalsContact O-CG 3.31Å; K491-D495 PolarHBondContact O-N 3.47Å; E492-D495 PolarHBondContact O-N 3.48Å; D495-G499 WeakPolarHBondContact CA-O 3.43Å; D495-G499 CarbonylContact O-C 3.53Å; D495-G499 WeakPolarHBondContact O-CA 2.88Å; D495-G499 PolarHBondContact O-N 2.84Å; D495-K500 HydrophobicContact CB-CG 4.18Å; D495-K500 WeakPolarHBondContact OD1-CA 3.39Å; D495-I501 PolarHBondContact OD1-N 3.02Å; D495-W502 WeakPolarHBondContact OD1-CB 3.33Å; D495-W502 PolarHBondContact OD1-N 3.03Å
496	E	88	Confident	86.5	Confident	169 Å²	169	47.9 Å²	47.9	79%	0.79	23%	0.234	S	C	*	.	H	α-helix	trans	-69.8	-45.2	174.9	-174.8	176.1	-168.1	0	0	111.8	E492 L494	E492-E496 WeakPolarHBondContact O-CB 3.26Å; E492-E496 PolarHBondContact O-N 3.37Å; L494-E496 VanDerWaalsContact C-N 3.3Å; L494-E496 PolarHBondContact O-N 3.47Å
497	H	86	Confident	86.3	Confident	107 Å²	107	48.3 Å²	48.3	50%	0.495	24%	0.239	S	C	.	.	H	α-helix	trans	-82.4	-27.9	-172.7	-157.8	-70.5	0	0	0	113.7	W468 T493 L494	W468-H497 AromaticContact CE2-CD2 3.86Å; W468-H497 AromaticContact CE2-NE2 3.89Å; W468-H497 HydrophobicContact CH2-CB 3.85Å; W468-H497 AromaticContact CH2-CD2 3.92Å; W468-H497 AromaticContact CH2-CG 3.87Å; W468-H497 HydrophobicContact CZ2-CB 4.18Å; W468-H497 AromaticContact CZ2-CD2 3.32Å; W468-H497 WeakPolarHBondContact CZ2-CD2 3.4Å; W468-H497 AromaticContact CZ2-CG 3.71Å; W468-H497 AromaticContact CZ2-NE2 3.83Å; W468-H497 HydrophobicContact CZ3-CB 4.48Å; W468-H497 AromaticContact NE1-NE2 3.81Å; T493-H497 WeakPolarHBondContact O-CB 3Å; T493-H497 PolarHBondContact O-N 2.92Å; L494-H497 PolarHBondContact O-N 3.1Å
498	F	83.3	Confident	85.9	Confident	56 Å²	56	50.3 Å²	50.3	25%	0.246	25%	0.25	C	C	.	.	H	α-helix	trans	-127.6	-2.4	-174.2	-60.5	-61.1	0	0	0	114.3	K465 W468 I469 L494 W502	K465-F498 HydrophobicContact CD-CE1 4.18Å; K465-F498 HydrophobicContact CG-CE1 3.96Å; K465-F498 HydrophobicContact CG-CZ 4.11Å; W468-F498 HydrophobicContact CD2-CE2 4.43Å; W468-F498 HydrophobicContact CD2-CZ 4.35Å; W468-F498 AromaticContact CE3-CE2 3.67Å; W468-F498 HydrophobicContact CE3-CE2 3.67Å; W468-F498 HydrophobicContact CE3-CZ 4.01Å; W468-F498 AromaticContact CZ3-CE2 3.74Å; W468-F498 HydrophobicContact CZ3-CE2 3.74Å; W468-F498 HydrophobicContact CZ3-CZ 4.43Å; I469-F498 HydrophobicContact CG1-CE2 4.47Å; L494-F498 HydrophobicContact CD2-CD2 4.02Å; L494-F498 HydrophobicContact CD2-CE2 4.09Å; L494-F498 WeakPolarHBondContact O-CB 3.47Å; L494-F498 PolarHBondContact O-N 3.24Å; F498-W502 HydrophobicContact CB-CZ2 4.38Å; F498-W502 VanDerWaalsContact CB-NE1 3.32Å; F498-W502 AromaticContact CD2-CZ2 3.95Å; F498-W502 HydrophobicContact CD2-CZ2 3.95Å; F498-W502 HydrophobicContact CG-CZ2 4.34Å
499	G	81.2	Confident	84.8	Confident	31 Å²	31	48.6 Å²	48.6	32%	0.32	24%	0.244	S	C	.	.			trans	99	156.2	-178.2	0	0	0	0	0	113.3	D495 I501	D495-G499 WeakPolarHBondContact CA-O 3.43Å; D495-G499 CarbonylContact O-C 3.53Å; D495-G499 WeakPolarHBondContact O-CA 2.88Å; D495-G499 PolarHBondContact O-N 2.84Å; G499-I501 PolarHBondContact O-N 3.27Å
500	K	79.5	Confident	83.6	Confident	190 Å²	190	51.7 Å²	51.7	83%	0.826	27%	0.269	S	S	*	.	S	Bend	trans	-72.5	57.7	-170.7	-62.6	-175.5	179	-174.8	0	114.9	D495	D495-K500 HydrophobicContact CB-CG 4.18Å; D495-K500 WeakPolarHBondContact OD1-CA 3.39Å
501	I	78	Confident	82.4	Confident	62 Å²	62	53.5 Å²	53.5	32%	0.318	28%	0.276	S	S	.	.			trans	-122.9	-2.4	-177.1	60.4	177.1	0	0	0	112.4	D495 G499 H503 Q536 T537	D495-I501 PolarHBondContact OD1-N 3.02Å; G499-I501 PolarHBondContact O-N 3.27Å; I501-H503 PolarHBondContact O-CD2 3Å; I501-Q536 HydrophobicContact CB-CB 4.45Å; I501-Q536 HydrophobicContact CD1-CB 4Å; I501-Q536 HydrophobicContact CD1-CG 3.92Å; I501-Q536 HydrophobicContact CG1-CB 4.14Å; I501-Q536 HydrophobicContact CG1-CG 4.09Å; I501-Q536 VanDerWaalsContact O-CA 3.25Å; I501-Q536 WeakPolarHBondContact O-CA 3.43Å; I501-T537 PolarHBondContact O-N 3.03Å; I501-T537 VanDerWaalsContact O-N 3.08Å
502	W	84.9	Confident	80.8	Confident	1 Å²	1	54.7 Å²	54.7	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	147.6	-167.6	-70.3	90.2	0	0	0	114	L461 I469 K491 L494 D495 F498 L534 W535 Q536	L461-W502 HydrophobicContact CD1-CH2 3.87Å; L461-W502 HydrophobicContact CD1-CZ3 4.35Å; L461-W502 HydrophobicContact CD2-CH2 3.49Å; L461-W502 VanDerWaalsContact CD2-CH2 3.49Å; L461-W502 HydrophobicContact CD2-CZ2 3.88Å; L461-W502 HydrophobicContact CG-CH2 4.34Å; I469-W502 HydrophobicContact CD1-CH2 3.63Å; I469-W502 HydrophobicContact CD1-CZ2 4.36Å; I469-W502 HydrophobicContact CD1-CZ3 4.27Å; K491-W502 WeakPolarHBondContact CE-O 3.33Å; L494-W502 HydrophobicContact CB-CB 3.9Å; L494-W502 HydrophobicContact CB-CD2 4.05Å; L494-W502 HydrophobicContact CB-CG 3.68Å; L494-W502 HydrophobicContact CD1-CB 4.42Å; L494-W502 HydrophobicContact CD1-CD2 4.21Å; L494-W502 HydrophobicContact CD1-CE3 4.05Å; L494-W502 HydrophobicContact CD1-CG 4.42Å; L494-W502 HydrophobicContact CD2-CD2 4.49Å; L494-W502 HydrophobicContact CD2-CZ2 4.46Å; L494-W502 HydrophobicContact CG-CD2 4.49Å; D495-W502 WeakPolarHBondContact OD1-CB 3.33Å; D495-W502 PolarHBondContact OD1-N 3.03Å; F498-W502 HydrophobicContact CB-CZ2 4.38Å; F498-W502 VanDerWaalsContact CB-NE1 3.32Å; F498-W502 AromaticContact CD2-CZ2 3.95Å; F498-W502 HydrophobicContact CD2-CZ2 3.95Å; F498-W502 HydrophobicContact CG-CZ2 4.34Å; W502-L534 HydrophobicContact CE3-CB 4.3Å; W502-L534 HydrophobicContact CZ3-CB 4.13Å; W502-W535 WeakPolarHBondContact CA-O 3.42Å; W502-Q536 HydrophobicContact CD2-CG 3.8Å; W502-Q536 VanDerWaalsContact CE2-NE2 3.31Å; W502-Q536 HydrophobicContact CE3-CG 3.9Å; W502-Q536 HydrophobicContact CG-CG 4.48Å; W502-Q536 HydrophobicContact CH2-CG 4.15Å; W502-Q536 HydrophobicContact CZ2-CG 4.04Å; W502-Q536 HydrophobicContact CZ3-CG 4.05Å
503	H	84.3	Confident	79.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.3	174.1	-55.8	-114.5	0	0	0	108.3	P73 I501 L534 W535 T537	P73-H503 WeakPolarHBondContact CD-CE1 3.43Å; P73-H503 WeakPolarHBondContact CG-CE1 3.23Å; P73-H503 WeakPolarHBondContact CG-NE2 3.05Å; I501-H503 PolarHBondContact O-CD2 3Å; H503-L534 VanDerWaalsContact O-CA 3.26Å; H503-L534 WeakPolarHBondContact O-CA 3.33Å; H503-W535 HydrophobicContact CB-CD2 3.49Å; H503-W535 VanDerWaalsContact CB-CD2 3.49Å; H503-W535 HydrophobicContact CB-CE3 3.74Å; H503-W535 HydrophobicContact CB-CG 4.16Å; H503-W535 HydrophobicContact CB-CH2 3.51Å; H503-W535 HydrophobicContact CB-CZ2 3.25Å; H503-W535 HydrophobicContact CB-CZ3 3.74Å; H503-W535 AromaticContact CD2-CD1 3.8Å; H503-W535 AromaticContact CD2-CE2 3.94Å; H503-W535 AromaticContact CD2-NE1 3.46Å; H503-W535 PolarHBondContact CD2-NE1 3.46Å; H503-W535 PolarHBondContact CD2-O 3.16Å; H503-W535 AromaticContact CE1-NE1 3.97Å; H503-W535 AromaticContact CG-CE2 3.4Å; H503-W535 AromaticContact CG-CZ2 3.55Å; H503-W535 AromaticContact CG-NE1 3.38Å; H503-W535 PolarHBondContact N-O 2.98Å; H503-W535 AromaticContact ND1-CE2 3.79Å; H503-W535 AromaticContact ND1-CZ2 3.58Å; H503-W535 AromaticContact ND1-NE1 3.75Å; H503-W535 AromaticContact NE2-NE1 3.91Å; H503-W535 PolarHBondContact O-N 3.2Å; H503-W535 VanDerWaalsContact O-N 3.13Å; H503-T537 WeakPolarHBondContact NE2-CB 3.45Å; H503-T537 WeakPolarHBondContact NE2-CG2 3.44Å; H503-T537 PolarHBondContact NE2-OG1 3.35Å
504	S	87.1	Confident	77.8	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.8	-176.7	-179.1	0	0	0	0	110.5	L534	S504-L534 WeakPolarHBondContact OG-CD2 3.41Å
505	I	85	Confident	76.4	Confident	16 Å²	16	59.3 Å²	59.3	8%	0.082	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.4	167.6	-69.4	170.4	0	0	0	106.8	F70 Y511 F532 L533 W535	F70-I505 HydrophobicContact CD1-CD1 4.02Å; F70-I505 HydrophobicContact CD1-CG1 4.5Å; F70-I505 HydrophobicContact CE1-CD1 4.01Å; I505-Y511 HydrophobicContact CG2-CD1 4.48Å; I505-Y511 HydrophobicContact CG2-CE1 4.29Å; I505-Y511 HydrophobicContact CG2-CE2 4.44Å; I505-F532 WeakPolarHBondContact O-CA 3.43Å; I505-L533 HydrophobicContact CB-CB 4.17Å; I505-L533 HydrophobicContact CD1-CD2 4.08Å; I505-L533 PolarHBondContact N-O 3.22Å; I505-L533 PolarHBondContact O-N 3.26Å; I505-W535 HydrophobicContact CB-CZ3 4.44Å; I505-W535 HydrophobicContact CD1-CH2 3.59Å; I505-W535 HydrophobicContact CD1-CZ3 3.56Å; I505-W535 HydrophobicContact CG1-CH2 3.91Å; I505-W535 HydrophobicContact CG1-CZ3 3.74Å
506	V	87.1	Confident	74.6	Confident	14 Å²	14	63.2 Å²	63.2	9%	0.085	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.8	176.2	-172.8	0	0	0	0	108.6	L486 A487 W530 A531 F532	L486-V506 HydrophobicContact CD2-CG1 3.63Å; L486-V506 HydrophobicContact CG-CG1 4.08Å; L486-V506 HydrophobicContact CG-CG2 4.44Å; A487-V506 HydrophobicContact CB-CB 4.41Å; A487-V506 HydrophobicContact CB-CG2 4.11Å; V506-W530 HydrophobicContact CG1-CE3 3.69Å; V506-W530 HydrophobicContact CG1-CZ3 4.05Å; V506-A531 WeakPolarHBondContact CA-O 3.4Å; V506-F532 HydrophobicContact CB-CD1 4.44Å; V506-F532 HydrophobicContact CB-CE1 4.47Å; V506-F532 HydrophobicContact CG1-CD1 4.02Å; V506-F532 HydrophobicContact CG1-CE1 3.71Å; V506-F532 HydrophobicContact CG1-CZ 4.15Å; V506-F532 HydrophobicContact CG2-CD1 3.69Å; V506-F532 HydrophobicContact CG2-CE1 3.89Å
507	G	84	Confident	73.1	Confident	9 Å²	9	56.5 Å²	56.5	9%	0.093	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	157.4	179.4	0	0	0	0	0	112.2	W530 A531	G507-W530 CarbonylContact O-C 3.51Å; G507-W530 WeakPolarHBondContact O-CA 3.31Å; G507-A531 PolarHBondContact N-O 3.24Å; G507-A531 PolarHBondContact O-N 3.01Å
508	T	79.1	Confident	71.7	Confident	52 Å²	52	55.4 Å²	55.4	32%	0.319	33%	0.328	S	S	.	.	S	Bend	trans	-94.4	-12.4	171.1	49.5	0	0	0	0	112.9	K529 W530	T508-K529 CarbonylContact C-O 3.49Å; T508-K529 WeakPolarHBondContact CA-O 3.49Å; T508-W530 HydrophobicContact CG2-CD2 3.72Å; T508-W530 HydrophobicContact CG2-CE3 3.73Å; T508-W530 HydrophobicContact CG2-CG 4.47Å; T508-W530 HydrophobicContact CG2-CH2 3.83Å; T508-W530 HydrophobicContact CG2-CZ2 3.81Å; T508-W530 HydrophobicContact CG2-CZ3 3.82Å
509	E	67.4	Low	70.3	Confident	75 Å²	75	57.9 Å²	57.9	35%	0.35	35%	0.35	S	S	.	.	S	Bend	trans	-109	163.2	-178.8	-66.9	-180	-175.7	0	0	111.4	S66 Y511	S66-E509 WeakPolarHBondContact CA-OE2 3.38Å; S66-E509 WeakPolarHBondContact CB-OE2 3.16Å; E509-Y511 PolarHBondContact O-N 3.04Å
510	S	64.1	Low	69.3	Low	104 Å²	104	56.9 Å²	56.9	73%	0.727	34%	0.34	S	S	*	.			trans	-61.4	126.6	170.7	50.5	0	0	0	0	111.2	K68	K68-S510 PolarHBondContact NZ-O 3.18Å
511	Y	63.5	Low	68.8	Low	38 Å²	38	47.9 Å²	47.9	15%	0.149	30%	0.3	C	S	.	.			trans	-120.7	147.5	167.4	59.4	-96.6	0	0	0	110.2	I505 E509 A531 F532 L533	I505-Y511 HydrophobicContact CG2-CD1 4.48Å; I505-Y511 HydrophobicContact CG2-CE1 4.29Å; I505-Y511 HydrophobicContact CG2-CE2 4.44Å; E509-Y511 PolarHBondContact O-N 3.04Å; Y511-A531 HydrophobicContact CD1-CB 4.25Å; Y511-A531 HydrophobicContact CE1-CB 3.4Å; Y511-F532 PolarHBondContact OH-N 3.45Å; Y511-F532 PolarHBondContact OH-O 3.36Å; Y511-L533 HydrophobicContact CD2-CD2 4.39Å; Y511-L533 HydrophobicContact CE2-CB 3.57Å; Y511-L533 HydrophobicContact CE2-CD2 3.76Å; Y511-L533 HydrophobicContact CE2-CG 4.28Å; Y511-L533 WeakPolarHBondContact OH-CB 2.98Å; Y511-L533 PolarHBondContact OH-N 3.08Å
512	G	57.2	Low	68.7	Low	65 Å²	65	46 Å²	46	67%	0.67	29%	0.291	S	S	*	.			trans	-108	134.7	165.3	0	0	0	0	0	108.2
513	S	56.6	Low	68.5	Low	56 Å²	56	45.9 Å²	45.9	39%	0.392	29%	0.291	S	S	.	.			trans	-129.3	143.7	174.8	-162.6	0	0	0	0	109.4	L515 L533	S513-L515 VanDerWaalsContact OG-CG 3.29Å; S513-L515 WeakPolarHBondContact OG-CG 3.16Å; S513-L533 VanDerWaalsContact CB-CD2 3.45Å
514	H	58.9	Low	68.4	Low	143 Å²	143	46.3 Å²	46.3	66%	0.662	29%	0.294	S	S	*	.			trans	-124	84.8	174.5	-175.8	-80.4	0	0	0	108.1
515	L	59.4	Low	68.3	Low	36 Å²	36	46.2 Å²	46.2	19%	0.188	29%	0.293	C	S	.	.			trans	-101.3	136.3	-178.1	-58.6	171.9	0	0	0	109.6	S513 T517 L522 L533 W535	S513-L515 VanDerWaalsContact OG-CG 3.29Å; S513-L515 WeakPolarHBondContact OG-CG 3.16Å; L515-T517 HydrophobicContact CB-CG2 3.84Å; L515-L522 HydrophobicContact CD1-CD1 4.38Å; L515-L533 HydrophobicContact CD1-CD2 3.92Å; L515-L533 HydrophobicContact CD1-CG 4.41Å; L515-W535 HydrophobicContact CD1-CD2 3.43Å; L515-W535 VanDerWaalsContact CD1-CD2 3.43Å; L515-W535 HydrophobicContact CD1-CE3 3.47Å; L515-W535 VanDerWaalsContact CD1-CE3 3.47Å; L515-W535 HydrophobicContact CD1-CG 4.03Å; L515-W535 HydrophobicContact CD1-CH2 4.03Å; L515-W535 HydrophobicContact CD1-CZ2 3.98Å; L515-W535 HydrophobicContact CD1-CZ3 3.79Å; L515-W535 HydrophobicContact CD2-CZ2 4.23Å
516	A	53.1	Low	68.1	Low	100 Å²	100	49 Å²	49	83%	0.826	30%	0.302	S	S	*	.			trans	-88.3	104.3	163.5	0	0	0	0	0	107
517	T	55.9	Low	67.9	Low	29 Å²	29	48.5 Å²	48.5	18%	0.178	30%	0.299	C	S	.	.			trans	-119.1	158.6	178.6	55.2	0	0	0	0	110.2	L515 L522 W535	L515-T517 HydrophobicContact CB-CG2 3.84Å; T517-L522 HydrophobicContact CG2-CB 4.5Å; T517-L522 HydrophobicContact CG2-CD1 3.96Å; T517-W535 HydrophobicContact CG2-CB 3.68Å; T517-W535 HydrophobicContact CG2-CG 3.73Å
518	L	55.1	Low	67.8	Low	84 Å²	84	53.1 Å²	53.1	44%	0.44	32%	0.321	S	S	.	.			trans	-61.4	141.3	170.2	-68.2	168.4	0	0	0	109.3	M459 G520 A521	M459-L518 HydrophobicContact SD-CD1 3.96Å; L518-G520 PolarHBondContact O-N 3.47Å; L518-A521 HydrophobicContact CB-CB 3.83Å; L518-A521 VanDerWaalsContact O-CB 3.23Å; L518-A521 WeakPolarHBondContact O-CB 3.32Å; L518-A521 PolarHBondContact O-N 3.37Å
519	P	54.9	Low	67.9	Low	108 Å²	108	56.9 Å²	56.9	70%	0.701	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	130.1	174.8	-25.1	33.7	0	0	0	111	A521	P519-A521 VanDerWaalsContact C-N 3.27Å; P519-A521 PolarHBondContact O-N 3.2Å
520	G	59.4	Low	68.7	Low	10 Å²	10	54.7 Å²	54.7	10%	0.103	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	4.5	-178.4	0	0	0	0	0	115.6	L461 L518	L461-G520 WeakPolarHBondContact CG-O 3.42Å; L461-G520 PolarHBondContact N-O 2.86Å; L518-G520 PolarHBondContact O-N 3.47Å
521	A	68.8	Low	69.7	Low	0 Å²	0	50 Å²	50	0%	0	29%	0.29	C	S	.	.			trans	-103.4	16	179.6	0	0	0	0	0	113.7	L518 P519 W535 Q536	L518-A521 HydrophobicContact CB-CB 3.83Å; L518-A521 VanDerWaalsContact O-CB 3.23Å; L518-A521 WeakPolarHBondContact O-CB 3.32Å; L518-A521 PolarHBondContact O-N 3.37Å; P519-A521 VanDerWaalsContact C-N 3.27Å; P519-A521 PolarHBondContact O-N 3.2Å; A521-W535 CarbonylContact O-C 3.45Å; A521-W535 WeakPolarHBondContact O-CA 3.37Å; A521-W535 WeakPolarHBondContact O-CB 3.41Å; A521-Q536 HydrophobicContact CB-CB 4.1Å; A521-Q536 HydrophobicContact CB-CG 4.45Å; A521-Q536 PolarHBondContact O-N 3.37Å
522	L	77.2	Confident	70.9	Confident	22 Å²	22	48.2 Å²	48.2	12%	0.115	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.1	-179.5	-178.3	150	0	0	0	110.7	Y444 L515 T517 L533 L534 W535	Y444-L522 VanDerWaalsContact CE2-O 3.31Å; Y444-L522 WeakPolarHBondContact CE2-O 3.38Å; Y444-L522 PolarHBondContact OH-O 3.16Å; L515-L522 HydrophobicContact CD1-CD1 4.38Å; T517-L522 HydrophobicContact CG2-CB 4.5Å; T517-L522 HydrophobicContact CG2-CD1 3.96Å; L522-L533 HydrophobicContact CD1-CD1 3.96Å; L522-L533 HydrophobicContact CD2-CD1 4Å; L522-L533 HydrophobicContact CG-CD1 3.92Å; L522-L534 CarbonylContact C-O 3.13Å; L522-L534 WeakPolarHBondContact CA-O 3.14Å; L522-W535 HydrophobicContact CB-CB 4.17Å; L522-W535 HydrophobicContact CD1-CB 4.33Å; L522-W535 HydrophobicContact CG-CB 4.25Å
523	V	81.3	Confident	72.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.6	173.2	-160.9	0	0	0	0	109.1	Y444 L461 L466 I469 F525 L533 L534	Y444-V523 WeakPolarHBondContact OH-CG2 3.48Å; L461-V523 HydrophobicContact CD1-CG2 3.28Å; L466-V523 HydrophobicContact CD2-CB 4.34Å; L466-V523 HydrophobicContact CD2-CG1 3.64Å; L466-V523 HydrophobicContact CD2-CG2 3.67Å; I469-V523 HydrophobicContact CD1-CG2 4.27Å; V523-F525 HydrophobicContact CB-CD1 4.48Å; V523-F525 HydrophobicContact CG1-CD1 3.66Å; V523-F525 HydrophobicContact CG1-CE1 4.12Å; V523-L533 WeakPolarHBondContact O-CA 3.43Å; V523-L534 HydrophobicContact CB-CB 4.37Å; V523-L534 PolarHBondContact N-O 3.39Å; V523-L534 PolarHBondContact O-N 3.32Å
524	S	81.5	Confident	73.6	Confident	9 Å²	9	42.8 Å²	42.8	6%	0.063	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.9	169.8	-177.8	0	0	0	0	110.4	I440 E441 F532	I440-S524 PolarHBondContact N-O 3.01Å; E441-S524 PolarHBondContact N-O 3.35Å; E441-S524 WeakPolarHBondContact O-CB 3.47Å; E441-S524 PolarHBondContact O-N 3.24Å; S524-F532 WeakPolarHBondContact CA-O 2.97Å
525	F	84.1	Confident	74.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.7	-179.4	65.5	-82.2	0	0	0	111.9	V437 F439 I469 A473 V523 I527 F532 L534	V437-F525 HydrophobicContact CG1-CB 4.42Å; V437-F525 HydrophobicContact CG1-CD2 4.37Å; F439-F525 HydrophobicContact CD1-CB 3.63Å; F439-F525 HydrophobicContact CE1-CB 3.97Å; F439-F525 HydrophobicContact CE1-CG 4.48Å; F439-F525 HydrophobicContact CG-CB 4.43Å; I469-F525 HydrophobicContact CG2-CE1 3.94Å; I469-F525 HydrophobicContact CG2-CZ 4.19Å; A473-F525 HydrophobicContact CB-CE2 3.63Å; A473-F525 HydrophobicContact CB-CZ 3.64Å; V523-F525 HydrophobicContact CB-CD1 4.48Å; V523-F525 HydrophobicContact CG1-CD1 3.66Å; V523-F525 HydrophobicContact CG1-CE1 4.12Å; F525-I527 HydrophobicContact CD2-CD1 4.15Å; F525-I527 HydrophobicContact CD2-CG1 3.82Å; F525-I527 HydrophobicContact CE2-CD1 3.74Å; F525-I527 HydrophobicContact CE2-CG1 3.85Å; F525-F532 HydrophobicContact CD1-CB 4Å; F525-F532 HydrophobicContact CD2-CB 4.19Å; F525-F532 HydrophobicContact CD2-CD2 4.04Å; F525-F532 HydrophobicContact CD2-CG 4.37Å; F525-F532 HydrophobicContact CE1-CB 3.63Å; F525-F532 HydrophobicContact CE1-CG 4.34Å; F525-F532 HydrophobicContact CE2-CB 3.8Å; F525-F532 HydrophobicContact CE2-CD1 4.5Å; F525-F532 AromaticContact CE2-CD2 3.58Å; F525-F532 HydrophobicContact CE2-CD2 3.58Å; F525-F532 HydrophobicContact CE2-CE2 4.3Å; F525-F532 AromaticContact CE2-CG 3.71Å; F525-F532 HydrophobicContact CE2-CG 3.71Å; F525-F532 HydrophobicContact CG-CB 4.29Å; F525-F532 HydrophobicContact CZ-CB 3.52Å; F525-F532 HydrophobicContact CZ-CD1 4.27Å; F525-F532 HydrophobicContact CZ-CD2 4.1Å; F525-F532 AromaticContact CZ-CG 3.71Å; F525-F532 HydrophobicContact CZ-CG 3.71Å; F525-F532 PolarHBondContact N-O 3.28Å; F525-F532 PolarHBondContact O-N 3.22Å; F525-L534 HydrophobicContact CE1-CD1 3.83Å; F525-L534 HydrophobicContact CZ-CD1 4.37Å
526	R	81.7	Confident	75.9	Confident	74 Å²	74	36 Å²	36	28%	0.279	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.1	174.7	-67.5	-173.1	74.1	176.5	4.7	111.2	V437 N438 I440 W530 A531	V437-R526 WeakPolarHBondContact CA-O 3.25Å; N438-R526 PolarHBondContact N-O 2.96Å; N438-R526 PolarHBondContact O-N 3.02Å; I440-R526 HydrophobicContact CD1-CG 3.72Å; I440-R526 HydrophobicContact CG1-CG 4.19Å; R526-W530 CarbonylContact C-O 3.53Å; R526-W530 WeakPolarHBondContact CA-O 3.14Å; R526-W530 WeakPolarHBondContact CB-O 3.48Å; R526-A531 HydrophobicContact CG-CB 3.85Å
527	I	83.4	Confident	76.7	Confident	5 Å²	5	35.7 Å²	35.7	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	111.2	170.3	-49.6	-166.9	0	0	0	107	V437 T470 A473 R474 L477 F525 K529 W530 F532	V437-I527 HydrophobicContact CG2-CD1 4.17Å; V437-I527 HydrophobicContact CG2-CG1 3.93Å; T470-I527 HydrophobicContact CG2-CD1 4.27Å; A473-I527 HydrophobicContact CB-CD1 3.87Å; R474-I527 HydrophobicContact CG-CD1 3.64Å; R474-I527 HydrophobicContact CG-CG2 4.43Å; L477-I527 HydrophobicContact CD1-CB 4.03Å; L477-I527 HydrophobicContact CD1-CD1 4.43Å; L477-I527 HydrophobicContact CD1-CG2 4Å; F525-I527 HydrophobicContact CD2-CD1 4.15Å; F525-I527 HydrophobicContact CD2-CG1 3.82Å; F525-I527 HydrophobicContact CE2-CD1 3.74Å; F525-I527 HydrophobicContact CE2-CG1 3.85Å; I527-K529 PolarHBondContact O-N 3.18Å; I527-W530 PolarHBondContact N-O 3.09Å; I527-W530 WeakPolarHBondContact O-CB 3.23Å; I527-W530 PolarHBondContact O-N 3.45Å; I527-F532 HydrophobicContact CB-CE2 4.18Å; I527-F532 HydrophobicContact CD1-CE2 4.36Å; I527-F532 HydrophobicContact CG1-CD2 4.32Å; I527-F532 HydrophobicContact CG1-CE2 4.05Å
528	D	80.4	Confident	77.8	Confident	105 Å²	105	36.1 Å²	36.1	56%	0.561	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	-117.1	-171.9	-57.3	-45.7	0	0	0	112.4	H436	H436-D528 IonicContact CE1-OD1 3.9Å; H436-D528 IonicContact CG-OD1 3.62Å; H436-D528 IonicContact ND1-OD1 2.89Å; H436-D528 PolarHBondContact ND1-OD1 3.3Å; H436-D528 PolarHBondContact O-N 2.88Å
529	K	82.7	Confident	79	Confident	132 Å²	132	33.5 Å²	33.5	57%	0.574	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.7	176.7	65.1	178.8	-178.6	174.1	0	113.6	T508 I527	T508-K529 CarbonylContact C-O 3.49Å; T508-K529 WeakPolarHBondContact CA-O 3.49Å; I527-K529 PolarHBondContact O-N 3.18Å
530	W	84.6	Confident	80.3	Confident	28 Å²	28	29.4 Å²	29.4	11%	0.106	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138.3	-174.1	-63	88.2	0	0	0	111.4	L477 K481 L483 L486 V506 G507 T508 R526 I527 F532	L477-W530 HydrophobicContact CD1-CG 4.5Å; L477-W530 HydrophobicContact CD2-CB 4.33Å; L477-W530 HydrophobicContact CD2-CD2 3.64Å; L477-W530 HydrophobicContact CD2-CE3 4.22Å; L477-W530 HydrophobicContact CD2-CG 3.66Å; L477-W530 HydrophobicContact CD2-CZ2 4.36Å; K481-W530 WeakPolarHBondContact O-CH2 3.29Å; L483-W530 HydrophobicContact CD2-CE3 4.23Å; L483-W530 HydrophobicContact CD2-CH2 4.17Å; L483-W530 HydrophobicContact CD2-CZ3 3.42Å; L483-W530 VanDerWaalsContact CD2-CZ3 3.42Å; L483-W530 HydrophobicContact CG-CH2 4.33Å; L483-W530 HydrophobicContact CG-CZ3 4.03Å; L486-W530 HydrophobicContact CD2-CE3 3.92Å; L486-W530 HydrophobicContact CD2-CH2 4.36Å; L486-W530 HydrophobicContact CD2-CZ3 3.77Å; V506-W530 HydrophobicContact CG1-CE3 3.69Å; V506-W530 HydrophobicContact CG1-CZ3 4.05Å; G507-W530 CarbonylContact O-C 3.51Å; G507-W530 WeakPolarHBondContact O-CA 3.31Å; T508-W530 HydrophobicContact CG2-CD2 3.72Å; T508-W530 HydrophobicContact CG2-CE3 3.73Å; T508-W530 HydrophobicContact CG2-CG 4.47Å; T508-W530 HydrophobicContact CG2-CH2 3.83Å; T508-W530 HydrophobicContact CG2-CZ2 3.81Å; T508-W530 HydrophobicContact CG2-CZ3 3.82Å; R526-W530 CarbonylContact C-O 3.53Å; R526-W530 WeakPolarHBondContact CA-O 3.14Å; R526-W530 WeakPolarHBondContact CB-O 3.48Å; I527-W530 PolarHBondContact N-O 3.09Å; I527-W530 WeakPolarHBondContact O-CB 3.23Å; I527-W530 PolarHBondContact O-N 3.45Å; W530-F532 HydrophobicContact CB-CD2 4.41Å; W530-F532 HydrophobicContact CB-CE2 3.6Å; W530-F532 HydrophobicContact CB-CZ 4.1Å
531	A	85.1	Confident	81.5	Confident	7 Å²	7	30.5 Å²	30.5	6%	0.058	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.8	174.5	0	0	0	0	0	109.2	V506 G507 Y511 R526	V506-A531 WeakPolarHBondContact CA-O 3.4Å; G507-A531 PolarHBondContact N-O 3.24Å; G507-A531 PolarHBondContact O-N 3.01Å; Y511-A531 HydrophobicContact CD1-CB 4.25Å; Y511-A531 HydrophobicContact CE1-CB 3.4Å; R526-A531 HydrophobicContact CG-CB 3.85Å
532	F	86.8	Confident	82.3	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.3	-177.4	-64.3	-94.4	0	0	0	108.6	A473 L477 L486 M490 I505 V506 Y511 S524 F525 I527 W530	A473-F532 HydrophobicContact CB-CD1 4.26Å; A473-F532 HydrophobicContact CB-CE1 4Å; A473-F532 HydrophobicContact CB-CE2 4.41Å; A473-F532 HydrophobicContact CB-CZ 4.09Å; L477-F532 HydrophobicContact CD1-CE2 4.01Å; L477-F532 HydrophobicContact CD1-CZ 3.77Å; L477-F532 HydrophobicContact CD2-CZ 4.08Å; L477-F532 HydrophobicContact CG-CZ 3.89Å; L486-F532 HydrophobicContact CD2-CE1 4.23Å; L486-F532 HydrophobicContact CD2-CZ 4.29Å; L486-F532 HydrophobicContact CG-CE1 4.41Å; M490-F532 HydrophobicContact CE-CD1 4.49Å; I505-F532 WeakPolarHBondContact O-CA 3.43Å; V506-F532 HydrophobicContact CB-CD1 4.44Å; V506-F532 HydrophobicContact CB-CE1 4.47Å; V506-F532 HydrophobicContact CG1-CD1 4.02Å; V506-F532 HydrophobicContact CG1-CE1 3.71Å; V506-F532 HydrophobicContact CG1-CZ 4.15Å; V506-F532 HydrophobicContact CG2-CD1 3.69Å; V506-F532 HydrophobicContact CG2-CE1 3.89Å; Y511-F532 PolarHBondContact OH-N 3.45Å; Y511-F532 PolarHBondContact OH-O 3.36Å; S524-F532 WeakPolarHBondContact CA-O 2.97Å; F525-F532 HydrophobicContact CD1-CB 4Å; F525-F532 HydrophobicContact CD2-CB 4.19Å; F525-F532 HydrophobicContact CD2-CD2 4.04Å; F525-F532 HydrophobicContact CD2-CG 4.37Å; F525-F532 HydrophobicContact CE1-CB 3.63Å; F525-F532 HydrophobicContact CE1-CG 4.34Å; F525-F532 HydrophobicContact CE2-CB 3.8Å; F525-F532 HydrophobicContact CE2-CD1 4.5Å; F525-F532 AromaticContact CE2-CD2 3.58Å; F525-F532 HydrophobicContact CE2-CD2 3.58Å; F525-F532 HydrophobicContact CE2-CE2 4.3Å; F525-F532 AromaticContact CE2-CG 3.71Å; F525-F532 HydrophobicContact CE2-CG 3.71Å; F525-F532 HydrophobicContact CG-CB 4.29Å; F525-F532 HydrophobicContact CZ-CB 3.52Å; F525-F532 HydrophobicContact CZ-CD1 4.27Å; F525-F532 HydrophobicContact CZ-CD2 4.1Å; F525-F532 AromaticContact CZ-CG 3.71Å; F525-F532 HydrophobicContact CZ-CG 3.71Å; F525-F532 PolarHBondContact N-O 3.28Å; F525-F532 PolarHBondContact O-N 3.22Å; I527-F532 HydrophobicContact CB-CE2 4.18Å; I527-F532 HydrophobicContact CD1-CE2 4.36Å; I527-F532 HydrophobicContact CG1-CD2 4.32Å; I527-F532 HydrophobicContact CG1-CE2 4.05Å; W530-F532 HydrophobicContact CB-CD2 4.41Å; W530-F532 HydrophobicContact CB-CE2 3.6Å; W530-F532 HydrophobicContact CB-CZ 4.1Å
533	L	86.1	Confident	82.7	Confident	7 Å²	7	33.1 Å²	33.1	4%	0.037	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	115.2	171.2	168.8	66.3	0	0	0	107.8	I505 Y511 S513 L515 L522 V523 W535	I505-L533 HydrophobicContact CB-CB 4.17Å; I505-L533 HydrophobicContact CD1-CD2 4.08Å; I505-L533 PolarHBondContact N-O 3.22Å; I505-L533 PolarHBondContact O-N 3.26Å; Y511-L533 HydrophobicContact CD2-CD2 4.39Å; Y511-L533 HydrophobicContact CE2-CB 3.57Å; Y511-L533 HydrophobicContact CE2-CD2 3.76Å; Y511-L533 HydrophobicContact CE2-CG 4.28Å; Y511-L533 WeakPolarHBondContact OH-CB 2.98Å; Y511-L533 PolarHBondContact OH-N 3.08Å; S513-L533 VanDerWaalsContact CB-CD2 3.45Å; L515-L533 HydrophobicContact CD1-CD2 3.92Å; L515-L533 HydrophobicContact CD1-CG 4.41Å; L522-L533 HydrophobicContact CD1-CD1 3.96Å; L522-L533 HydrophobicContact CD2-CD1 4Å; L522-L533 HydrophobicContact CG-CD1 3.92Å; V523-L533 WeakPolarHBondContact O-CA 3.43Å; L533-W535 HydrophobicContact CD2-CZ3 4.39Å; L533-W535 HydrophobicContact CG-CE3 4.04Å; L533-W535 HydrophobicContact CG-CZ3 4.16Å
534	L	86.5	Confident	82.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.2	-178.5	-56.8	167.5	0	0	0	108.4	I469 M490 L494 W502 H503 S504 L522 V523 F525	I469-L534 HydrophobicContact CG2-CD1 3.27Å; M490-L534 HydrophobicContact CE-CD1 3.81Å; M490-L534 HydrophobicContact CE-CD2 4.14Å; L494-L534 HydrophobicContact CD1-CD1 4.04Å; L494-L534 HydrophobicContact CD1-CD2 3.75Å; L494-L534 HydrophobicContact CD1-CG 4.39Å; W502-L534 HydrophobicContact CE3-CB 4.3Å; W502-L534 HydrophobicContact CZ3-CB 4.13Å; H503-L534 VanDerWaalsContact O-CA 3.26Å; H503-L534 WeakPolarHBondContact O-CA 3.33Å; S504-L534 WeakPolarHBondContact OG-CD2 3.41Å; L522-L534 CarbonylContact C-O 3.13Å; L522-L534 WeakPolarHBondContact CA-O 3.14Å; V523-L534 HydrophobicContact CB-CB 4.37Å; V523-L534 PolarHBondContact N-O 3.39Å; V523-L534 PolarHBondContact O-N 3.32Å; F525-L534 HydrophobicContact CE1-CD1 3.83Å; F525-L534 HydrophobicContact CZ-CD1 4.37Å
535	W	84.5	Confident	82.9	Confident	12 Å²	12	37.5 Å²	37.5	5%	0.045	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	163.7	171.9	70.6	96.4	0	0	0	112.3	W502 H503 I505 L515 T517 A521 L522 L533	W502-W535 WeakPolarHBondContact CA-O 3.42Å; H503-W535 HydrophobicContact CB-CD2 3.49Å; H503-W535 VanDerWaalsContact CB-CD2 3.49Å; H503-W535 HydrophobicContact CB-CE3 3.74Å; H503-W535 HydrophobicContact CB-CG 4.16Å; H503-W535 HydrophobicContact CB-CH2 3.51Å; H503-W535 HydrophobicContact CB-CZ2 3.25Å; H503-W535 HydrophobicContact CB-CZ3 3.74Å; H503-W535 AromaticContact CD2-CD1 3.8Å; H503-W535 AromaticContact CD2-CE2 3.94Å; H503-W535 AromaticContact CD2-NE1 3.46Å; H503-W535 PolarHBondContact CD2-NE1 3.46Å; H503-W535 PolarHBondContact CD2-O 3.16Å; H503-W535 AromaticContact CE1-NE1 3.97Å; H503-W535 AromaticContact CG-CE2 3.4Å; H503-W535 AromaticContact CG-CZ2 3.55Å; H503-W535 AromaticContact CG-NE1 3.38Å; H503-W535 PolarHBondContact N-O 2.98Å; H503-W535 AromaticContact ND1-CE2 3.79Å; H503-W535 AromaticContact ND1-CZ2 3.58Å; H503-W535 AromaticContact ND1-NE1 3.75Å; H503-W535 AromaticContact NE2-NE1 3.91Å; H503-W535 PolarHBondContact O-N 3.2Å; H503-W535 VanDerWaalsContact O-N 3.13Å; I505-W535 HydrophobicContact CB-CZ3 4.44Å; I505-W535 HydrophobicContact CD1-CH2 3.59Å; I505-W535 HydrophobicContact CD1-CZ3 3.56Å; I505-W535 HydrophobicContact CG1-CH2 3.91Å; I505-W535 HydrophobicContact CG1-CZ3 3.74Å; L515-W535 HydrophobicContact CD1-CD2 3.43Å; L515-W535 VanDerWaalsContact CD1-CD2 3.43Å; L515-W535 HydrophobicContact CD1-CE3 3.47Å; L515-W535 VanDerWaalsContact CD1-CE3 3.47Å; L515-W535 HydrophobicContact CD1-CG 4.03Å; L515-W535 HydrophobicContact CD1-CH2 4.03Å; L515-W535 HydrophobicContact CD1-CZ2 3.98Å; L515-W535 HydrophobicContact CD1-CZ3 3.79Å; L515-W535 HydrophobicContact CD2-CZ2 4.23Å; T517-W535 HydrophobicContact CG2-CB 3.68Å; T517-W535 HydrophobicContact CG2-CG 3.73Å; A521-W535 CarbonylContact O-C 3.45Å; A521-W535 WeakPolarHBondContact O-CA 3.37Å; A521-W535 WeakPolarHBondContact O-CB 3.41Å; L522-W535 HydrophobicContact CB-CB 4.17Å; L522-W535 HydrophobicContact CD1-CB 4.33Å; L522-W535 HydrophobicContact CG-CB 4.25Å; L533-W535 HydrophobicContact CD2-CZ3 4.39Å; L533-W535 HydrophobicContact CG-CE3 4.04Å; L533-W535 HydrophobicContact CG-CZ3 4.16Å
536	Q	81.1	Confident	82.8	Confident	25 Å²	25	40.7 Å²	40.7	12%	0.117	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	148.4	172.9	-49.6	173.8	-13	0	0	110.9	I501 W502 A521	I501-Q536 HydrophobicContact CB-CB 4.45Å; I501-Q536 HydrophobicContact CD1-CB 4Å; I501-Q536 HydrophobicContact CD1-CG 3.92Å; I501-Q536 HydrophobicContact CG1-CB 4.14Å; I501-Q536 HydrophobicContact CG1-CG 4.09Å; I501-Q536 VanDerWaalsContact O-CA 3.25Å; I501-Q536 WeakPolarHBondContact O-CA 3.43Å; W502-Q536 HydrophobicContact CD2-CG 3.8Å; W502-Q536 VanDerWaalsContact CE2-NE2 3.31Å; W502-Q536 HydrophobicContact CE3-CG 3.9Å; W502-Q536 HydrophobicContact CG-CG 4.48Å; W502-Q536 HydrophobicContact CH2-CG 4.15Å; W502-Q536 HydrophobicContact CZ2-CG 4.04Å; W502-Q536 HydrophobicContact CZ3-CG 4.05Å; A521-Q536 HydrophobicContact CB-CB 4.1Å; A521-Q536 HydrophobicContact CB-CG 4.45Å; A521-Q536 PolarHBondContact O-N 3.37Å
537	T	70.8	Confident	82.9	Confident	93 Å²	93	37.6 Å²	37.6	57%	0.571	19%	0.19	S	C	*	.			trans	-111	0	170.9	45.8	0	0	0	0	113.5	I501 H503	I501-T537 PolarHBondContact O-N 3.03Å; I501-T537 VanDerWaalsContact O-N 3.08Å; H503-T537 WeakPolarHBondContact NE2-CB 3.45Å; H503-T537 WeakPolarHBondContact NE2-CG2 3.44Å; H503-T537 PolarHBondContact NE2-OG1 3.35Å

Retrieved 537 of 537 residues in 267.7 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).