A0A087YI39_POEFO Loading...

Glycine amidinotransferase

Catalyzes the biosynthesis of guanidinoacetate, the immediate precursor of creatine. Creatine plays a vital role in energy metabolism in muscle tissues. May play a role in embryonic and central nervous system development.

AlphaFold DB , UniProt , Accession A0A087YI39, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 423 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	36.5	Very low	33.3	Very low	237 Å²	237	160.9 Å²	160.9	100%	1.167	86%	0.856	S	S	*	*				0	126.9	0	-74.2	175.4	-161.8	0	0	108.4
2	L	35	Very low	33.4	Very low	167 Å²	167	168.5 Å²	168.5	87%	0.874	86%	0.864	S	S	*	*			trans	47.3	98.4	161.8	-70.2	148	0	0	0	118.3
3	R	31.3	Very low	33.1	Very low	233 Å²	233	161.8 Å²	161.8	88%	0.879	86%	0.863	S	S	*	*				69.7	104.5	73.5	-84.5	-168.3	176.2	178.8	0.4	117.6
4	V	35.6	Very low	33.1	Very low	126 Å²	126	157.2 Å²	157.2	76%	0.764	86%	0.858	S	S	*	*				47.3	125.3	120.2	-169.1	0	0	0	0	119.8
5	R	34.3	Very low	33	Very low	230 Å²	230	159.3 Å²	159.3	87%	0.868	86%	0.86	S	S	*	*				-173	127.8	108.8	-102	-174.6	177.6	165.8	-1.7	115.3
6	C	35.6	Very low	32.8	Very low	109 Å²	109	155.3 Å²	155.3	74%	0.736	86%	0.855	S	S	*	*			trans	-82	156	158.2	-174.8	0	0	0	0	109.4
7	L	32.7	Very low	32.8	Very low	163 Å²	163	151.1 Å²	151.1	85%	0.853	85%	0.845	S	S	*	*			trans	-158.6	127.3	148.6	-105.8	160.7	0	0	0	112.3
8	R	36.5	Very low	32.7	Very low	238 Å²	238	152.3 Å²	152.3	90%	0.898	84%	0.843	S	S	*	*			trans	-87.2	159.7	166.2	-83.7	174.3	162.5	177.6	-4.9	110.7
9	G	29.6	Very low	32.6	Very low	72 Å²	72	151.2 Å²	151.2	74%	0.742	84%	0.835	S	S	*	*			trans	172.7	120.6	152.1	0	0	0	0	0	108
10	G	28.9	Very low	32.6	Very low	82 Å²	82	151.7 Å²	151.7	85%	0.845	83%	0.834	S	S	*	*				71	120	50.5	0	0	0	0	0	108.2
11	S	30	Very low	32.3	Very low	113 Å²	113	147.9 Å²	147.9	79%	0.79	83%	0.83	S	S	*	*			cis	-176.3	153.5	31.2	47.4	0	0	0	0	111
12	R	34.8	Very low	32.2	Very low	252 Å²	252	141.2 Å²	141.2	95%	0.951	81%	0.813	S	S	*	*			trans	26.4	132.2	139.8	-64	-179.3	167.9	-173.9	-4.6	120.5
13	G	30	Very low	32	Very low	82 Å²	82	141.5 Å²	141.5	85%	0.845	81%	0.811	S	S	*	*			trans	-173.7	120	152.2	0	0	0	0	0	111.6
14	A	32.5	Very low	32.1	Very low	97 Å²	97	136.9 Å²	136.9	80%	0.802	80%	0.804	S	S	*	*			trans	-95.1	-178.7	177.9	0	0	0	0	0	111.3
15	E	31.3	Very low	32	Very low	189 Å²	189	134.2 Å²	134.2	88%	0.883	80%	0.801	S	S	*	*			trans	92.8	117	173.9	-58.9	-174.5	162.5	0	0	114.4
16	A	29.7	Very low	32	Very low	95 Å²	95	133.7 Å²	133.7	79%	0.785	80%	0.799	S	S	*	*			cis	102.1	122.1	41.3	0	0	0	0	0	112.6
17	A	33.3	Very low	31.9	Very low	83 Å²	83	133.3 Å²	133.3	69%	0.686	80%	0.798	S	S	*	*			trans	103.3	130.1	139.6	0	0	0	0	0	120.9
18	H	31.1	Very low	31.9	Very low	173 Å²	173	132.2 Å²	132.2	80%	0.801	80%	0.797	S	S	*	*			trans	69.8	150.1	147.3	-70.2	-63.2	0	0	0	120.2
19	L	31.1	Very low	31.7	Very low	131 Å²	131	125.6 Å²	125.6	69%	0.686	79%	0.793	S	S	*	*			cis	177.5	163.4	-24.6	-149.9	147.2	0	0	0	103.9
20	I	31.6	Very low	31.6	Very low	162 Å²	162	126 Å²	126	83%	0.831	80%	0.798	S	S	*	*			trans	91.4	131.6	160.6	-50.8	167.1	0	0	0	114.6
21	G	28.1	Very low	31.7	Very low	71 Å²	71	133.4 Å²	133.4	73%	0.732	80%	0.801	S	S	*	*			cis	-162.1	158	25.3	0	0	0	0	0	117.2
22	A	32.8	Very low	31.7	Very low	98 Å²	98	135 Å²	135	81%	0.81	81%	0.805	S	S	*	*			trans	-83.4	161.7	165.8	0	0	0	0	0	111.6
23	M	31	Very low	31.7	Very low	172 Å²	172	130.7 Å²	130.7	85%	0.847	80%	0.796	S	S	*	*			trans	164.3	141.5	142.5	-99.6	-165.7	-179.6	0	0	108.6
24	L	34.5	Very low	31.7	Very low	137 Å²	137	138 Å²	138	72%	0.717	80%	0.798	S	S	*	*			cis	-156	147.9	20.9	-90.6	131.2	0	0	0	106.7
25	G	32.2	Very low	31.8	Very low	69 Å²	69	139 Å²	139	71%	0.711	79%	0.794	S	S	*	*				116.6	147.7	62.7	0	0	0	0	0	107.8
26	R	35.2	Very low	31.6	Very low	220 Å²	220	138.4 Å²	138.4	83%	0.83	79%	0.789	S	S	*	*			cis	-176.8	141	15.6	-129.3	-178	-169.8	-168.8	2.7	109.3
27	S	33.8	Very low	31.6	Very low	101 Å²	101	141.9 Å²	141.9	71%	0.706	79%	0.789	S	S	*	*			trans	62.6	150.5	132.4	65.5	0	0	0	0	121
28	V	33.2	Very low	31.7	Very low	139 Å²	139	143.1 Å²	143.1	84%	0.842	79%	0.793	S	S	*	*			cis	-155.1	155.5	34.9	-179.9	0	0	0	0	111.1
29	A	32.2	Very low	31.7	Very low	99 Å²	99	141.8 Å²	141.8	82%	0.818	80%	0.797	S	S	*	*			trans	-86.8	175.6	-179.1	0	0	0	0	0	116
30	G	27.1	Very low	31.8	Very low	81 Å²	81	140.8 Å²	140.8	84%	0.835	80%	0.8	S	S	*	*			trans	-166.9	122.6	160.1	0	0	0	0	0	112.5
31	W	31.3	Very low	31.9	Very low	238 Å²	238	138.6 Å²	138.6	90%	0.902	80%	0.8	S	S	*	*			trans	-130.2	130	-173.4	-151.9	50.6	0	0	0	108
32	V	29.7	Very low	32.1	Very low	147 Å²	147	140 Å²	140	89%	0.891	80%	0.804	S	S	*	*			trans	-153.4	129	158.4	-175.6	0	0	0	0	111.2
33	Q	34.4	Very low	32.4	Very low	160 Å²	160	140.6 Å²	140.6	75%	0.748	81%	0.809	S	S	*	*			trans	-100	144.9	164.5	-102.4	172.1	-51.3	0	0	110.6
34	R	30	Very low	32.5	Very low	237 Å²	237	137 Å²	137	89%	0.894	81%	0.807	S	S	*	*			trans	171.9	107.9	143	-97.8	172	-171.2	-163.3	2.9	110.3
35	T	33.7	Very low	32.8	Very low	118 Å²	118	135.8 Å²	135.8	72%	0.724	82%	0.816	S	S	*	*				48.2	120.8	110.6	52.6	0	0	0	0	117.5
36	F	28.6	Very low	33	Very low	176 Å²	176	136.7 Å²	136.7	77%	0.772	82%	0.818	S	S	*	*				-177.8	129.9	119.1	-107.2	-81.4	0	0	0	112.4
37	Q	29.7	Very low	33	Very low	168 Å²	168	135.4 Å²	135.4	79%	0.785	82%	0.821	S	S	*	*			trans	31	145.7	146.1	-71.5	172.9	-23.1	0	0	124.9
38	S	34.8	Very low	33.1	Very low	109 Å²	109	142.3 Å²	142.3	76%	0.762	83%	0.831	S	S	*	*			trans	-53.1	146.4	172.3	54.7	0	0	0	0	117.3
39	T	31.2	Very low	33.3	Very low	145 Å²	145	144.6 Å²	144.6	89%	0.89	83%	0.833	S	S	*	*			trans	-142.7	137.3	141.9	45.6	0	0	0	0	110.7
40	S	33.9	Very low	33.5	Very low	109 Å²	109	144.4 Å²	144.4	76%	0.762	83%	0.831	S	S	*	*			trans	-74.3	172	179	54.3	0	0	0	0	114.7
41	S	31.8	Very low	34.1	Very low	117 Å²	117	144.8 Å²	144.8	82%	0.818	83%	0.827	S	S	*	*			trans	88.3	110.3	157.7	80.4	0	0	0	0	117.7
42	A	32.3	Very low	34.6	Very low	100 Å²	100	142.3 Å²	142.3	83%	0.826	83%	0.825	S	S	*	*				-179.1	134.5	90	0	0	0	0	0	109.5
43	A	39.3	Very low	35.2	Very low	110 Å²	110	144.2 Å²	144.2	91%	0.909	82%	0.824	S	S	*	*			trans	-69.3	131.5	177.9	0	0	0	0	0	111.3
44	A	33.4	Very low	35.7	Very low	96 Å²	96	144.8 Å²	144.8	79%	0.793	83%	0.827	S	S	*	*			trans	-128.1	108.1	156.3	0	0	0	0	0	107.2	A46	A44-A46 PolarHBondContact O-N 3.08Å; A44-A46 VanDerWaalsContact O-N 3.08Å
45	A	41	Very low	36.3	Very low	112 Å²	112	138.9 Å²	138.9	93%	0.926	82%	0.819	S	S	*	*			trans	-67	102.1	175.5	0	0	0	0	0	109.2
46	A	36.7	Very low	36.9	Very low	89 Å²	89	139.8 Å²	139.8	74%	0.736	82%	0.824	S	S	*	*			trans	-95.1	118.9	164.5	0	0	0	0	0	108.2	A44 R48	A44-A46 PolarHBondContact O-N 3.08Å; A44-A46 VanDerWaalsContact O-N 3.08Å; A46-R48 PolarHBondContact O-N 3.07Å
47	Q	35.8	Very low	37.7	Very low	192 Å²	192	137 Å²	137	90%	0.897	82%	0.822	S	S	*	*			trans	-51.7	117.4	174.8	-75.9	163	-46.4	0	0	110	Q49	Q47-Q49 PolarHBondContact O-N 3.17Å; Q47-Q49 VanDerWaalsContact O-N 3.07Å
48	R	34.9	Very low	38.5	Very low	246 Å²	246	137.1 Å²	137.1	93%	0.928	82%	0.823	S	S	*	*			trans	-70.5	97.7	162.6	-76.2	-178.4	178.2	-177.8	-1.8	107.4	A46 A50	A46-R48 PolarHBondContact O-N 3.07Å; R48-A50 PolarHBondContact O-N 3.26Å
49	Q	36.8	Very low	39	Very low	188 Å²	188	137.7 Å²	137.7	88%	0.879	82%	0.824	S	S	*	*			trans	-65.6	112.7	151	-87.7	175.7	-27.9	0	0	106.2	Q47 A51	Q47-Q49 PolarHBondContact O-N 3.17Å; Q47-Q49 VanDerWaalsContact O-N 3.07Å; Q49-A51 PolarHBondContact O-N 3.03Å
50	A	37.2	Very low	39.9	Very low	94 Å²	94	138.6 Å²	138.6	78%	0.777	82%	0.821	S	S	*	*			trans	-61.9	105.1	163.2	0	0	0	0	0	106.3	R48 E52	R48-A50 PolarHBondContact O-N 3.26Å; A50-E52 PolarHBondContact O-N 3.03Å
51	A	40.3	Very low	40.6	Very low	90 Å²	90	142.2 Å²	142.2	74%	0.744	83%	0.826	S	S	*	*			trans	-65	113.9	159.4	0	0	0	0	0	105.3	Q49 E53	Q49-A51 PolarHBondContact O-N 3.03Å; A51-E53 PolarHBondContact O-N 3.01Å
52	E	40.9	Very low	42	Very low	186 Å²	186	143.5 Å²	143.5	87%	0.869	82%	0.819	S	S	*	*			trans	-57.6	109	163.9	-74.4	175.6	157	0	0	106.4	A50 E54	A50-E52 PolarHBondContact O-N 3.03Å; E52-E54 PolarHBondContact O-N 3.22Å
53	E	43.4	Very low	44.6	Very low	187 Å²	187	147.1 Å²	147.1	87%	0.874	82%	0.819	S	S	*	*			trans	-62.8	103.7	165.7	-74.2	179.9	167.4	0	0	106.2	A51	A51-E53 PolarHBondContact O-N 3.01Å
54	E	43.3	Very low	47.2	Very low	172 Å²	172	143.5 Å²	143.5	80%	0.804	79%	0.787	S	S	*	*			trans	-53.8	129.4	165.1	-75.3	-160.8	161.4	0	0	107.5	E52 V56	E52-E54 PolarHBondContact O-N 3.22Å; E54-V56 PolarHBondContact O-N 2.95Å
55	P	43.1	Very low	50.2	Low	112 Å²	112	139.6 Å²	139.6	73%	0.727	75%	0.753	S	S	*	*			trans	-61.9	115.1	177.7	25.6	-30.6	0	0	0	106.8	T57	P55-T57 PolarHBondContact O-N 3.02Å
56	V	46.8	Very low	53	Low	137 Å²	137	134.2 Å²	134.2	83%	0.83	71%	0.709	S	S	*	*			trans	-58.1	98.1	164.1	179.9	0	0	0	0	104.9	E54 E58	E54-V56 PolarHBondContact O-N 2.95Å; V56-E58 PolarHBondContact O-N 2.79Å
57	T	45.1	Very low	55.9	Low	119 Å²	119	131.4 Å²	131.4	73%	0.73	68%	0.684	S	S	*	*			trans	-58.6	114	171.4	33.7	0	0	0	0	105.7	P55	P55-T57 PolarHBondContact O-N 3.02Å
58	E	46.6	Very low	58.9	Low	170 Å²	170	122.3 Å²	122.3	79%	0.794	64%	0.641	S	S	*	*			trans	-47.4	131.5	167.6	-70.9	-170.7	161.4	0	0	106.9	V56 I60	V56-E58 PolarHBondContact O-N 2.79Å; E58-I60 PolarHBondContact O-N 2.88Å
59	P	45.9	Very low	62	Low	121 Å²	121	112.7 Å²	112.7	79%	0.786	61%	0.605	S	S	*	*			trans	-54.9	117.7	179.2	21.2	-29.9	0	0	0	106.7	Q61	P59-Q61 PolarHBondContact O-N 3.36Å
60	I	48.5	Very low	64.9	Low	164 Å²	164	103.8 Å²	103.8	84%	0.841	56%	0.563	S	S	*	*			trans	-45.3	114	174.9	-63	170.1	0	0	0	105.3	E58 Q62	E58-I60 PolarHBondContact O-N 2.88Å; I60-Q62 VanDerWaalsContact C-N 3.28Å; I60-Q62 PolarHBondContact O-N 2.91Å
61	Q	49.8	Very low	67.9	Low	185 Å²	185	99.5 Å²	99.5	86%	0.864	53%	0.528	S	S	*	.			trans	-61.7	99.3	-175.8	-162.5	174.2	17	0	0	106.1	P59 E63	P59-Q61 PolarHBondContact O-N 3.36Å; Q61-E63 PolarHBondContact O-N 2.74Å
62	Q	61.6	Low	70.6	Confident	143 Å²	143	95.2 Å²	95.2	67%	0.668	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-63.7	116.4	-172.3	-170.7	169.3	15.8	0	0	106.7	I60 C64	I60-Q62 VanDerWaalsContact C-N 3.28Å; I60-Q62 PolarHBondContact O-N 2.91Å; Q62-C64 PolarHBondContact O-N 3.43Å
63	E	85.1	Confident	73.4	Confident	176 Å²	176	87 Å²	87	82%	0.822	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-52.9	133.1	177.5	-79.3	-174.6	159.3	0	0	109.2	Q61	Q61-E63 PolarHBondContact O-N 2.74Å
64	C	94.7	Very high	76	Confident	34 Å²	34	79.8 Å²	79.8	23%	0.23	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-57.3	125.9	-178.7	177.5	0	0	0	0	109.1	Q62 V66 A208	Q62-C64 PolarHBondContact O-N 3.43Å; C64-V66 PolarHBondContact O-N 3.31Å; C64-V66 VanDerWaalsContact O-N 3.14Å; C64-V66 PolarHBondContact SG-O 3.04Å; C64-A208 VanDerWaalsContact SG-CA 3.55Å
65	P	97	Very high	78.7	Confident	14 Å²	14	72.1 Å²	72.1	9%	0.091	39%	0.388	C	S	.	.	S	Bend	trans	-69.4	-15	-175.6	29.4	-37.3	0	0	0	112.9	Y203 K206 R413	P65-Y203 HydrophobicContact CB-CD1 4.08Å; P65-Y203 HydrophobicContact CB-CE1 4.44Å; P65-Y203 HydrophobicContact CG-CD1 3.87Å; P65-K206 VanDerWaalsContact CD-O 3.29Å; P65-K206 WeakPolarHBondContact CD-O 3.4Å; P65-K206 HydrophobicContact CG-CB 3.61Å; P65-K206 HydrophobicContact CG-CD 4.11Å; P65-R413 PolarHBondContact O-NH1 3.21Å
66	V	98.8	Very high	81.3	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.364	C	S	.	.			trans	-102.2	119	174.3	-178.4	0	0	0	0	107.8	C64 V174 N177 Y203 A208 V412	C64-V66 PolarHBondContact O-N 3.31Å; C64-V66 VanDerWaalsContact O-N 3.14Å; C64-V66 PolarHBondContact SG-O 3.04Å; V66-V174 HydrophobicContact CG1-CB 4.45Å; V66-V174 HydrophobicContact CG1-CG1 3.48Å; V66-V174 VanDerWaalsContact CG1-CG1 3.48Å; V66-V174 HydrophobicContact CG1-CG2 4.12Å; V66-N177 VanDerWaalsContact O-CA 3.3Å; V66-N177 WeakPolarHBondContact O-CA 3.3Å; V66-Y203 HydrophobicContact CG2-CD1 4.14Å; V66-Y203 HydrophobicContact CG2-CD2 4.15Å; V66-Y203 HydrophobicContact CG2-CG 3.77Å; V66-A208 HydrophobicContact CB-CB 3.76Å; V66-A208 HydrophobicContact CG2-CB 3.41Å; V66-A208 VanDerWaalsContact CG2-CB 3.41Å; V66-V412 WeakPolarHBondContact CA-O 3.29Å; V66-V412 HydrophobicContact CB-CG1 4.35Å; V66-V412 HydrophobicContact CG2-CG1 3.82Å
67	C	98.6	Very high	83.8	Confident	30 Å²	30	63.1 Å²	63.1	20%	0.203	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-163.4	98.7	175	-167.9	0	0	0	0	109.5	Y69 G176 V412 R413 R414	C67-Y69 VanDerWaalsContact SG-CE2 3.6Å; C67-G176 CarbonylContact C-O 3.38Å; C67-G176 WeakPolarHBondContact CA-O 3.45Å; C67-V412 PolarHBondContact N-O 3.44Å; C67-R413 HydrophobicContact CB-CG 4.31Å; C67-R413 CarbonylContact O-C 3.6Å; C67-R413 VanDerWaalsContact O-CA 3.26Å; C67-R413 WeakPolarHBondContact O-CA 3.45Å; C67-R414 PolarHBondContact O-N 3.26Å; C67-R414 VanDerWaalsContact O-O 3.12Å
68	S	98.8	Very high	86.4	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-147.5	127.7	175.2	-175.7	0	0	0	0	111.6	N70 G176 R260 D411	S68-N70 PolarHBondContact OG-O 2.8Å; S68-G176 PolarHBondContact N-O 3.43Å; S68-G176 PolarHBondContact O-N 2.88Å; S68-R260 VanDerWaalsContact CB-NH1 3.33Å; S68-R260 PolarHBondContact O-NH1 2.71Å; S68-R260 VanDerWaalsContact O-NH1 3.13Å; S68-R260 PolarHBondContact OG-NH1 3.3Å; S68-R260 PolarHBondContact OG-NH2 2.91Å; S68-D411 PolarHBondContact OG-OD2 3.34Å
69	Y	98.8	Very high	88.9	Confident	45 Å²	45	49.4 Å²	49.4	18%	0.176	25%	0.254	C	S	.	.			trans	-111.9	-20.3	-175.2	-59.2	-71.3	0	0	0	113.9	C67 G262 Y289 G416 N417 L418	C67-Y69 VanDerWaalsContact SG-CE2 3.6Å; Y69-G262 VanDerWaalsContact O-CA 3.27Å; Y69-G262 WeakPolarHBondContact O-CA 3.45Å; Y69-G262 PolarHBondContact O-N 3.31Å; Y69-Y289 WeakPolarHBondContact CD1-OH 3.01Å; Y69-Y289 WeakPolarHBondContact CE1-OH 3.39Å; Y69-G416 WeakPolarHBondContact CE2-O 3.39Å; Y69-N417 VanDerWaalsContact CD2-C 3.48Å; Y69-L418 HydrophobicContact CD1-CB 3.82Å; Y69-L418 HydrophobicContact CD1-CD1 3.79Å; Y69-L418 HydrophobicContact CD1-CG 4.33Å; Y69-L418 HydrophobicContact CE1-CB 3.75Å; Y69-L418 HydrophobicContact CE1-CD1 4.4Å; Y69-L418 HydrophobicContact CE1-CG 4.49Å; Y69-L418 HydrophobicContact CG-CB 4.27Å; Y69-L418 HydrophobicContact CG-CD1 4.37Å
70	N	98.9	Very high	91.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-152.4	-178.9	-173.4	61	47.8	0	0	0	110.1	S68 W72 D73 R260 R414	S68-N70 PolarHBondContact OG-O 2.8Å; N70-W72 HydrophobicContact CB-CD2 4.03Å; N70-W72 HydrophobicContact CB-CE3 3.98Å; N70-W72 HydrophobicContact CB-CH2 3.79Å; N70-W72 HydrophobicContact CB-CZ2 3.82Å; N70-W72 HydrophobicContact CB-CZ3 3.83Å; N70-W72 PolarHBondContact OD1-N 3.34Å; N70-W72 VanDerWaalsContact OD1-N 3.16Å; N70-D73 PolarHBondContact ND2-OD1 2.72Å; N70-D73 PolarHBondContact ND2-OD2 2.8Å; N70-D73 WeakPolarHBondContact OD1-CB 3.28Å; N70-D73 VanDerWaalsContact OD1-CG 3.28Å; N70-D73 PolarHBondContact OD1-N 3.04Å; N70-D73 PolarHBondContact OD1-OD2 3.17Å; N70-R260 PolarHBondContact O-NH2 2.96Å; N70-R260 VanDerWaalsContact O-NH2 3.14Å; N70-R414 VanDerWaalsContact O-CD 3.24Å; N70-R414 WeakPolarHBondContact O-CD 3.38Å; N70-R414 PolarHBondContact O-NE 3.42Å
71	E	98.9	Very high	93.8	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.023	18%	0.177	C	C	.	.	S	Bend	trans	-96.4	3.1	-174.1	-49.7	-53.3	156	0	0	114.3	R169 I259 R260 I310 M364 H406 R414	E71-R169 IonicContact OE2-NH1 2.88Å; E71-I259 HydrophobicContact CG-CD1 4.28Å; E71-I259 HydrophobicContact CG-CG1 3.73Å; E71-R260 VanDerWaalsContact CD-NH2 3.26Å; E71-R260 VanDerWaalsContact OE1-CB 3.31Å; E71-R260 WeakPolarHBondContact OE1-CB 3.4Å; E71-R260 IonicContact OE1-CZ 3.37Å; E71-R260 PolarHBondContact OE1-N 2.73Å; E71-R260 IonicContact OE1-NE 2.76Å; E71-R260 PolarHBondContact OE1-NE 2.86Å; E71-R260 IonicContact OE1-NH2 3.92Å; E71-R260 PolarHBondContact OE1-NH2 3.36Å; E71-R260 IonicContact OE2-CZ 3.56Å; E71-R260 IonicContact OE2-NE 2.79Å; E71-R260 IonicContact OE2-NH2 3.39Å; E71-R260 PolarHBondContact OE2-NH2 2.75Å; E71-I310 WeakPolarHBondContact CB-O 3.39Å; E71-M364 WeakPolarHBondContact O-CB 3.49Å; E71-H406 IonicContact OE2-NE2 2.7Å; E71-R414 VanDerWaalsContact O-CZ 3.24Å; E71-R414 PolarHBondContact O-NH2 2.9Å
72	W	98.9	Very high	96.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-136.5	-13.1	-167.1	61.1	79.4	0	0	0	116.5	N70 A261 I310 P313 M364 D366 E367 Y421	N70-W72 HydrophobicContact CB-CD2 4.03Å; N70-W72 HydrophobicContact CB-CE3 3.98Å; N70-W72 HydrophobicContact CB-CH2 3.79Å; N70-W72 HydrophobicContact CB-CZ2 3.82Å; N70-W72 HydrophobicContact CB-CZ3 3.83Å; N70-W72 PolarHBondContact OD1-N 3.34Å; N70-W72 VanDerWaalsContact OD1-N 3.16Å; W72-A261 HydrophobicContact CH2-CB 3.84Å; W72-A261 HydrophobicContact CZ3-CB 4.28Å; W72-I310 HydrophobicContact CE3-CG2 4.03Å; W72-I310 HydrophobicContact CH2-CG2 4.08Å; W72-I310 HydrophobicContact CZ3-CB 4.2Å; W72-I310 HydrophobicContact CZ3-CG2 3.35Å; W72-P313 HydrophobicContact CZ2-CB 4.29Å; W72-M364 HydrophobicContact CB-CB 4.32Å; W72-M364 HydrophobicContact CB-CG 4.47Å; W72-D366 CarbonylContact O-C 3.59Å; W72-D366 WeakPolarHBondContact O-CA 3.39Å; W72-E367 HydrophobicContact CB-CG 4.49Å; W72-E367 HydrophobicContact CG-CG 4.38Å; W72-E367 PolarHBondContact O-N 2.97Å; W72-Y421 AromaticContact CH2-CD2 3.86Å; W72-Y421 HydrophobicContact CH2-CD2 3.86Å; W72-Y421 HydrophobicContact CH2-CE2 4.09Å; W72-Y421 HydrophobicContact CH2-CG 4.36Å; W72-Y421 HydrophobicContact CZ2-CD1 4.27Å; W72-Y421 AromaticContact CZ2-CD2 3.57Å; W72-Y421 HydrophobicContact CZ2-CD2 3.57Å; W72-Y421 HydrophobicContact CZ2-CE1 4.19Å; W72-Y421 AromaticContact CZ2-CE2 3.45Å; W72-Y421 HydrophobicContact CZ2-CE2 3.45Å; W72-Y421 VanDerWaalsContact CZ2-CE2 3.45Å; W72-Y421 AromaticContact CZ2-CG 3.97Å; W72-Y421 HydrophobicContact CZ2-CG 3.97Å; W72-Y421 AromaticContact CZ2-CZ 3.77Å
73	D	98.9	Very high	97.9	Very high	14 Å²	14	22.6 Å²	22.6	8%	0.075	11%	0.113	C	C	.	.	S	Bend	trans	-58.5	152.9	173.8	-78.6	-15.4	0	0	0	110.9	N70 L75 R414 G416	N70-D73 PolarHBondContact ND2-OD1 2.72Å; N70-D73 PolarHBondContact ND2-OD2 2.8Å; N70-D73 WeakPolarHBondContact OD1-CB 3.28Å; N70-D73 VanDerWaalsContact OD1-CG 3.28Å; N70-D73 PolarHBondContact OD1-N 3.04Å; N70-D73 PolarHBondContact OD1-OD2 3.17Å; D73-L75 PolarHBondContact O-N 2.98Å; D73-R414 HydrophobicContact CB-CB 3.69Å; D73-R414 VanDerWaalsContact O-CD 3.31Å; D73-R414 WeakPolarHBondContact O-CD 3.29Å; D73-R414 WeakPolarHBondContact O-CG 3.37Å; D73-R414 PolarHBondContact O-NH1 3.26Å; D73-G416 WeakPolarHBondContact OD2-CA 3.44Å
74	P	98.9	Very high	98.5	Very high	34 Å²	34	16.5 Å²	16.5	22%	0.221	8%	0.084	C	C	.	.			trans	-49.2	115.3	-177.8	-29.1	33.9	0	0	0	113.8	L365 D366 R414 R415	P74-L365 CarbonylContact C-O 3.59Å; P74-L365 WeakPolarHBondContact CA-O 3.07Å; P74-D366 HydrophobicContact CB-CB 4.4Å; P74-D366 HydrophobicContact CG-CB 4.2Å; P74-R414 CarbonylContact O-C 3.6Å; P74-R414 VanDerWaalsContact O-CA 3.24Å; P74-R414 WeakPolarHBondContact O-CA 3.2Å; P74-R415 HydrophobicContact CB-CB 4.37Å; P74-R415 WeakPolarHBondContact CD-O 3.29Å; P74-R415 PolarHBondContact O-N 3.38Å
75	L	98.9	Very high	98.7	Very high	12 Å²	12	18.5 Å²	18.5	6%	0.063	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.7	-176.6	-173.4	65.2	0	0	0	111.2	D73 V78 V139 L363 L365 D411 R414	D73-L75 PolarHBondContact O-N 2.98Å; L75-V78 HydrophobicContact CD1-CB 4.4Å; L75-V78 HydrophobicContact CD2-CB 4.21Å; L75-V78 HydrophobicContact CD2-CG2 4.48Å; L75-V139 HydrophobicContact CB-CG2 4.35Å; L75-V139 HydrophobicContact CD2-CG1 3.94Å; L75-V139 HydrophobicContact CD2-CG2 4.11Å; L75-V139 HydrophobicContact CG-CG1 3.87Å; L75-V139 HydrophobicContact CG-CG2 4.15Å; L75-L363 HydrophobicContact CD2-CD2 4.29Å; L75-L365 WeakPolarHBondContact CB-O 3.28Å; L75-L365 HydrophobicContact CD2-CD2 3.79Å; L75-L365 PolarHBondContact N-O 3.42Å; L75-D411 HydrophobicContact CD1-CB 3.45Å; L75-D411 VanDerWaalsContact CD1-CB 3.45Å; L75-R414 HydrophobicContact CD1-CG 3.98Å
76	E	98.9	Very high	98.7	Very high	48 Å²	48	17.9 Å²	17.9	22%	0.224	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-36.2	-179.7	-60	-168	158.9	0	0	113.1	V140 R413 R415	E76-V140 WeakPolarHBondContact O-CB 3.3Å; E76-V140 PolarHBondContact O-N 3.39Å; E76-R413 HydrophobicContact CB-CB 4.29Å; E76-R413 HydrophobicContact CB-CG 4.26Å; E76-R413 PolarHBondContact N-O 3Å; E76-R413 WeakPolarHBondContact OE2-CD 3.43Å; E76-R413 IonicContact OE2-CZ 3Å; E76-R413 IonicContact OE2-NE 2.69Å; E76-R413 PolarHBondContact OE2-NE 2.96Å; E76-R415 HydrophobicContact CG-CB 4.4Å; E76-R415 WeakPolarHBondContact OE1-CB 3.38Å; E76-R415 IonicContact OE1-CZ 2.8Å; E76-R415 IonicContact OE1-NH1 3.79Å; E76-R415 PolarHBondContact OE1-NH1 3.46Å
77	E	98.9	Very high	98.7	Very high	12 Å²	12	18.8 Å²	18.8	6%	0.056	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	137.5	177.7	-173.5	166.7	160.1	0	0	111.6	V140 K142 Y203 V412 R413	E77-V140 CarbonylContact C-O 3.16Å; E77-V140 WeakPolarHBondContact CA-O 3.47Å; E77-V140 HydrophobicContact CB-CB 4.06Å; E77-V140 HydrophobicContact CG-CB 3.92Å; E77-V140 HydrophobicContact CG-CG1 3.93Å; E77-K142 HydrophobicContact CG-CG 4.45Å; E77-K142 WeakPolarHBondContact OE1-CE 3.34Å; E77-K142 WeakPolarHBondContact OE1-CG 3.43Å; E77-Y203 WeakPolarHBondContact OE1-CE1 3.34Å; E77-Y203 VanDerWaalsContact OE1-CZ 3.28Å; E77-Y203 PolarHBondContact OE1-OH 3.02Å; E77-V412 HydrophobicContact CB-CB 4.35Å; E77-V412 HydrophobicContact CG-CB 4.2Å; E77-V412 PolarHBondContact O-N 2.87Å; E77-R413 HydrophobicContact CB-CB 3.99Å; E77-R413 PolarHBondContact N-O 3.2Å; E77-R413 PolarHBondContact O-N 3.35Å; E77-R413 VanDerWaalsContact O-N 3.09Å; E77-R413 IonicContact OE2-CZ 2.87Å; E77-R413 IonicContact OE2-NH1 3.86Å; E77-R413 PolarHBondContact OE2-NH1 3.31Å; E77-R413 IonicContact OE2-NH2 3.7Å; E77-R413 PolarHBondContact OE2-NH2 3.01Å
78	V	98.9	Very high	98.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.3	-175.5	70.5	0	0	0	0	111.2	L75 V80 L134 V139 V140 V141 K142 T409 T410	L75-V78 HydrophobicContact CD1-CB 4.4Å; L75-V78 HydrophobicContact CD2-CB 4.21Å; L75-V78 HydrophobicContact CD2-CG2 4.48Å; V78-V80 HydrophobicContact CG1-CG2 4.1Å; V78-L134 HydrophobicContact CG1-CD1 4.04Å; V78-V139 HydrophobicContact CB-CG1 4.12Å; V78-V139 HydrophobicContact CG1-CG1 3.58Å; V78-V140 PolarHBondContact N-O 3.4Å; V78-V141 HydrophobicContact CG1-CG2 4.17Å; V78-K142 PolarHBondContact O-N 2.97Å; V78-T409 HydrophobicContact CG2-CG2 3.87Å; V78-T410 WeakPolarHBondContact CA-O 3.48Å; V78-T410 WeakPolarHBondContact CG2-O 3.34Å
79	I	98.9	Very high	98.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.2	165.5	-62.5	168.4	0	0	0	107.7	K142 P168 L172 Y196 L199 Y203 T409 T410 V412	I79-K142 CarbonylContact C-O 3.59Å; I79-K142 WeakPolarHBondContact CA-O 3.46Å; I79-K142 HydrophobicContact CG1-CB 4.2Å; I79-P168 HydrophobicContact CG2-CB 3.96Å; I79-P168 HydrophobicContact CG2-CG 4.31Å; I79-L172 HydrophobicContact CD1-CD1 3.81Å; I79-Y196 HydrophobicContact CG2-CD1 4.22Å; I79-Y196 HydrophobicContact CG2-CE1 4.05Å; I79-L199 HydrophobicContact CD1-CD1 4.15Å; I79-L199 HydrophobicContact CG1-CD1 4.1Å; I79-L199 HydrophobicContact CG2-CD1 4.33Å; I79-Y203 HydrophobicContact CD1-CE2 4.34Å; I79-T409 CarbonylContact O-C 3.54Å; I79-T409 WeakPolarHBondContact O-CA 3.43Å; I79-T410 PolarHBondContact N-O 2.76Å; I79-T410 PolarHBondContact O-N 3.22Å; I79-V412 HydrophobicContact CD1-CG2 3.81Å; I79-V412 HydrophobicContact CG1-CG2 3.68Å
80	V	99	Very high	98.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.3	172.7	-176.5	0	0	0	0	109.2	V78 I127 L134 V141 K142 R143 P144 W408 T409	V78-V80 HydrophobicContact CG1-CG2 4.1Å; V80-I127 HydrophobicContact CG1-CG2 3.71Å; V80-L134 HydrophobicContact CG2-CD1 3.66Å; V80-V141 HydrophobicContact CB-CG1 4.24Å; V80-V141 HydrophobicContact CG2-CG1 3.74Å; V80-K142 PolarHBondContact N-O 3.48Å; V80-R143 VanDerWaalsContact O-CD 3.23Å; V80-R143 WeakPolarHBondContact O-CD 3.42Å; V80-R143 PolarHBondContact O-NE 3.23Å; V80-P144 WeakPolarHBondContact O-CD 3.5Å; V80-W408 WeakPolarHBondContact CA-O 3.41Å; V80-T409 HydrophobicContact CG2-CG2 4.04Å
81	G	98.9	Very high	98.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.			trans	-67.3	-176.3	-176.1	0	0	0	0	0	115.9	R143 A165 A166 W408	G81-R143 PolarHBondContact O-NE 3.26Å; G81-R143 PolarHBondContact O-NH2 3.32Å; G81-A165 CarbonylContact C-O 3.21Å; G81-A165 VanDerWaalsContact CA-O 3.29Å; G81-A165 WeakPolarHBondContact CA-O 3.46Å; G81-A166 WeakPolarHBondContact CA-O 3.47Å; G81-W408 PolarHBondContact N-O 3.08Å
82	R	98.8	Very high	98.7	Very high	51 Å²	51	21.2 Å²	21.2	19%	0.192	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-129.1	137.2	179.3	-80.5	-168.4	-174.5	-73.9	-3.1	112.1	E84 P144 A165 A166	R82-E84 WeakPolarHBondContact CA-OE2 3.37Å; R82-E84 WeakPolarHBondContact CB-OE2 3.29Å; R82-E84 WeakPolarHBondContact CG-OE2 3.14Å; R82-E84 IonicContact CZ-OE1 3.42Å; R82-E84 IonicContact NH1-OE1 3.71Å; R82-E84 PolarHBondContact NH1-OE1 3.41Å; R82-P144 HydrophobicContact CB-CG 4.25Å; R82-P144 WeakPolarHBondContact CD-O 3.16Å; R82-P144 HydrophobicContact CG-CG 3.99Å; R82-P144 PolarHBondContact NE-O 3.2Å; R82-A165 PolarHBondContact N-O 3.36Å; R82-A165 CarbonylContact O-C 3.42Å; R82-A166 WeakPolarHBondContact O-CA 3.48Å; R82-A166 WeakPolarHBondContact O-CB 3.42Å; R82-A166 PolarHBondContact O-N 3.23Å
83	A	98.6	Very high	98.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.			trans	-92.1	-15.5	174.3	0	0	0	0	0	112.3	N85 A86 A123 V124 L401 W408	A83-N85 PolarHBondContact O-N 3.06Å; A83-A86 WeakPolarHBondContact O-CB 3.37Å; A83-A86 PolarHBondContact O-N 3.24Å; A83-A123 HydrophobicContact CB-CB 3.95Å; A83-V124 HydrophobicContact CB-CG2 3.84Å; A83-L401 HydrophobicContact CB-CD1 3.96Å; A83-W408 HydrophobicContact CB-CH2 3.97Å
84	E	98.3	Very high	98.6	Very high	47 Å²	47	21.7 Å²	21.7	22%	0.22	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	135.7	-176.2	-63.3	93.3	130.6	0	0	111.5	R82 A86 V124	R82-E84 WeakPolarHBondContact CA-OE2 3.37Å; R82-E84 WeakPolarHBondContact CB-OE2 3.29Å; R82-E84 WeakPolarHBondContact CG-OE2 3.14Å; R82-E84 IonicContact CZ-OE1 3.42Å; R82-E84 IonicContact NH1-OE1 3.71Å; R82-E84 PolarHBondContact NH1-OE1 3.41Å; E84-A86 PolarHBondContact O-N 2.88Å; E84-A86 VanDerWaalsContact O-N 3.09Å; E84-V124 HydrophobicContact CG-CG2 3.94Å
85	N	97.4	Very high	98.6	Very high	77 Å²	77	20.1 Å²	20.1	41%	0.412	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	19.3	179	-50.3	-35.4	0	0	0	114.9	A83 H87 I147	A83-N85 PolarHBondContact O-N 3.06Å; N85-H87 PolarHBondContact O-N 2.97Å; N85-H87 PolarHBondContact O-ND1 3.07Å; N85-I147 WeakPolarHBondContact CB-O 3.32Å; N85-I147 PolarHBondContact ND2-O 3.02Å
86	A	98.5	Very high	98.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.			trans	-57.6	130.5	178.1	0	0	0	0	0	111.2	A83 E84 F115 L120 M163 Y164	A83-A86 WeakPolarHBondContact O-CB 3.37Å; A83-A86 PolarHBondContact O-N 3.24Å; E84-A86 PolarHBondContact O-N 2.88Å; E84-A86 VanDerWaalsContact O-N 3.09Å; A86-F115 HydrophobicContact CB-CD2 3.87Å; A86-F115 PolarHBondContact O-N 2.54Å; A86-L120 HydrophobicContact CB-CD1 4.28Å; A86-L120 HydrophobicContact CB-CD2 3.95Å; A86-M163 CarbonylContact C-O 3.6Å; A86-M163 WeakPolarHBondContact CA-O 3.3Å; A86-Y164 HydrophobicContact CB-CD1 4.47Å
87	H	98	Very high	98.4	Very high	19 Å²	19	20 Å²	20	9%	0.088	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-113.2	140.4	-179	-85.9	58.8	0	0	0	111.3	N85 G112 Q113 S114 F115 W149 S150 M163	N85-H87 PolarHBondContact O-N 2.97Å; N85-H87 PolarHBondContact O-ND1 3.07Å; H87-G112 PolarHBondContact CD2-O 3Å; H87-Q113 CarbonylContact C-O 3.55Å; H87-Q113 WeakPolarHBondContact CA-O 3.23Å; H87-Q113 PolarHBondContact CD2-O 2.81Å; H87-S114 PolarHBondContact CD2-N 3.08Å; H87-S114 PolarHBondContact NE2-N 3.03Å; H87-F115 VanDerWaalsContact C-CE2 3.45Å; H87-F115 VanDerWaalsContact O-CE2 3.25Å; H87-F115 WeakPolarHBondContact O-CE2 3.29Å; H87-W149 HydrophobicContact CB-CB 4.22Å; H87-S150 WeakPolarHBondContact NE2-CB 3.24Å; H87-M163 PolarHBondContact N-O 2.92Å
88	V	98.8	Very high	98.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-67.9	121.3	172.5	-177.5	0	0	0	0	107.2	F106 Y107 H110 G112 Q113 F115	V88-F106 HydrophobicContact CB-CE1 4.42Å; V88-F106 HydrophobicContact CG1-CD1 4.36Å; V88-F106 HydrophobicContact CG1-CE1 3.78Å; V88-F106 HydrophobicContact CG1-CZ 4.4Å; V88-F106 HydrophobicContact CG2-CE1 3.68Å; V88-F106 HydrophobicContact CG2-CZ 3.52Å; V88-Y107 HydrophobicContact CG1-CD1 3.47Å; V88-Y107 VanDerWaalsContact CG1-CD1 3.47Å; V88-Y107 HydrophobicContact CG1-CE1 3.95Å; V88-Y107 HydrophobicContact CG1-CG 4.38Å; V88-H110 HydrophobicContact CB-CB 4.35Å; V88-H110 WeakPolarHBondContact CB-O 3.23Å; V88-H110 HydrophobicContact CG1-CB 4.27Å; V88-H110 HydrophobicContact CG2-CB 4.1Å; V88-G112 PolarHBondContact O-N 3.45Å; V88-Q113 PolarHBondContact N-O 2.79Å; V88-F115 HydrophobicContact CB-CZ 4.48Å; V88-F115 HydrophobicContact CG2-CD1 3.8Å; V88-F115 HydrophobicContact CG2-CD2 4.03Å; V88-F115 HydrophobicContact CG2-CE1 3.87Å; V88-F115 HydrophobicContact CG2-CE2 4.12Å; V88-F115 HydrophobicContact CG2-CG 3.88Å; V88-F115 HydrophobicContact CG2-CZ 4.03Å
89	P	98.6	Very high	98.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-63.8	147.9	179.3	28.6	-35.9	0	0	0	110.2	V95 Y107 G111 M163 W186 A188	P89-V95 HydrophobicContact CB-CG2 4.05Å; P89-V95 HydrophobicContact CG-CG1 4.05Å; P89-V95 HydrophobicContact CG-CG2 4.12Å; P89-Y107 HydrophobicContact CG-CD1 4.19Å; P89-Y107 HydrophobicContact CG-CE1 4Å; P89-G111 WeakPolarHBondContact O-CA 3.46Å; P89-M163 HydrophobicContact CB-CG 4.45Å; P89-M163 HydrophobicContact CG-CE 4.35Å; P89-M163 HydrophobicContact CG-CG 4.47Å; P89-M163 HydrophobicContact CG-SD 4.43Å; P89-W186 HydrophobicContact CG-CZ3 4.04Å; P89-A188 HydrophobicContact CB-CB 3.74Å
90	P	98.7	Very high	97.9	Very high	34 Å²	34	22.3 Å²	22.3	22%	0.221	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-51.5	141.9	169.1	-26.1	35.7	0	0	0	111.2	T92 V95	P90-T92 VanDerWaalsContact C-N 3.29Å; P90-T92 PolarHBondContact O-N 2.93Å; P90-T92 PolarHBondContact O-OG1 3.18Å; P90-V95 WeakPolarHBondContact O-CG2 3.48Å
91	F	98.6	Very high	97.7	Very high	53 Å²	53	25.7 Å²	25.7	23%	0.232	13%	0.125	C	C	.	.			trans	-80.2	75	-175.1	-168.8	-119.8	0	0	0	112.4	V95 K96 W104 Y107 Q108	F91-V95 HydrophobicContact CD2-CG1 4.12Å; F91-K96 HydrophobicContact CD2-CB 4.49Å; F91-K96 HydrophobicContact CE1-CB 4.35Å; F91-K96 HydrophobicContact CE1-CD 4.29Å; F91-K96 HydrophobicContact CE1-CG 4.36Å; F91-K96 HydrophobicContact CE2-CB 3.72Å; F91-K96 HydrophobicContact CE2-CG 4.14Å; F91-K96 HydrophobicContact CZ-CB 3.65Å; F91-K96 HydrophobicContact CZ-CD 4.03Å; F91-K96 HydrophobicContact CZ-CG 3.63Å; F91-W104 HydrophobicContact CE1-CB 4.25Å; F91-W104 HydrophobicContact CE2-CB 4.04Å; F91-W104 AromaticContact CE2-CD1 3.73Å; F91-W104 AromaticContact CE2-CG 3.93Å; F91-W104 HydrophobicContact CE2-CG 3.93Å; F91-W104 HydrophobicContact CZ-CB 3.49Å; F91-W104 VanDerWaalsContact CZ-CB 3.49Å; F91-W104 AromaticContact CZ-CD1 3.71Å; F91-W104 HydrophobicContact CZ-CD2 4.05Å; F91-W104 AromaticContact CZ-CG 3.46Å; F91-W104 HydrophobicContact CZ-CG 3.46Å; F91-W104 VanDerWaalsContact CZ-CG 3.46Å; F91-Y107 HydrophobicContact CD2-CD2 4.45Å; F91-Y107 HydrophobicContact CD2-CG 4.03Å; F91-Y107 HydrophobicContact CE2-CD2 4.49Å; F91-Q108 HydrophobicContact CB-CG 4.38Å; F91-Q108 HydrophobicContact CD1-CB 4.5Å; F91-Q108 HydrophobicContact CD1-CG 3.28Å; F91-Q108 HydrophobicContact CE1-CG 3.62Å; F91-Q108 HydrophobicContact CG-CG 3.95Å
92	T	98.4	Very high	97.6	Very high	44 Å²	44	32 Å²	32	27%	0.27	15%	0.152	S	C	.	.			trans	-90.9	173.7	176.4	49	0	0	0	0	111.8	P90 E94 V95 K96	P90-T92 VanDerWaalsContact C-N 3.29Å; P90-T92 PolarHBondContact O-N 2.93Å; P90-T92 PolarHBondContact O-OG1 3.18Å; T92-E94 VanDerWaalsContact C-N 3.32Å; T92-E94 WeakPolarHBondContact CB-OE2 3.49Å; T92-E94 PolarHBondContact O-N 3.14Å; T92-E94 PolarHBondContact OG1-OE1 3.03Å; T92-E94 PolarHBondContact OG1-OE2 2.87Å; T92-V95 PolarHBondContact O-N 3.48Å; T92-K96 WeakPolarHBondContact O-CB 3.49Å; T92-K96 PolarHBondContact O-N 3.48Å
93	V	98.1	Very high	97.5	Very high	23 Å²	23	31 Å²	31	14%	0.139	15%	0.148	C	C	.	.	H	α-helix	trans	-62.1	-38.3	-172.6	68.5	0	0	0	0	112.5	K96 A97 Y223 D224 V245	V93-K96 PolarHBondContact O-N 2.95Å; V93-A97 WeakPolarHBondContact O-CB 3.39Å; V93-A97 PolarHBondContact O-N 3.15Å; V93-Y223 HydrophobicContact CG1-CG 4.27Å; V93-D224 WeakPolarHBondContact CG2-O 3.19Å; V93-V245 HydrophobicContact CB-CG2 4.32Å; V93-V245 HydrophobicContact CG1-CG2 3.93Å; V93-V245 HydrophobicContact CG2-CG2 3.76Å
94	E	98.3	Very high	97.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	15%	0.154	C	C	.	.	H	α-helix	trans	-69.3	-40.9	176.6	75.6	-73.3	-176.8	0	0	111.7	T92 K96 A97 N98 W186 Y223 V245	T92-E94 VanDerWaalsContact C-N 3.32Å; T92-E94 WeakPolarHBondContact CB-OE2 3.49Å; T92-E94 PolarHBondContact O-N 3.14Å; T92-E94 PolarHBondContact OG1-OE1 3.03Å; T92-E94 PolarHBondContact OG1-OE2 2.87Å; E94-K96 VanDerWaalsContact C-N 3.34Å; E94-K96 PolarHBondContact O-N 2.72Å; E94-A97 PolarHBondContact O-N 2.87Å; E94-N98 WeakPolarHBondContact O-CB 3.49Å; E94-N98 PolarHBondContact O-N 3.35Å; E94-N98 PolarHBondContact O-OD1 3.31Å; E94-W186 HydrophobicContact CG-CB 4.32Å; E94-W186 VanDerWaalsContact CG-CD1 3.43Å; E94-W186 HydrophobicContact CG-CD2 4.47Å; E94-W186 HydrophobicContact CG-CG 3.83Å; E94-Y223 HydrophobicContact CB-CD1 4.04Å; E94-Y223 HydrophobicContact CB-CE1 3.9Å; E94-Y223 HydrophobicContact CG-CE1 4.06Å; E94-V245 HydrophobicContact CB-CG1 4.35Å
95	V	98.1	Very high	97.5	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-63.3	-43.3	174.9	176.3	0	0	0	0	110.6	P89 P90 F91 T92 N98 T99 Y107 W186	P89-V95 HydrophobicContact CB-CG2 4.05Å; P89-V95 HydrophobicContact CG-CG1 4.05Å; P89-V95 HydrophobicContact CG-CG2 4.12Å; P90-V95 WeakPolarHBondContact O-CG2 3.48Å; F91-V95 HydrophobicContact CD2-CG1 4.12Å; T92-V95 PolarHBondContact O-N 3.48Å; V95-N98 PolarHBondContact O-N 2.9Å; V95-T99 HydrophobicContact CG1-CG2 4.39Å; V95-T99 WeakPolarHBondContact O-CB 3.48Å; V95-T99 VanDerWaalsContact O-CG2 3.31Å; V95-T99 WeakPolarHBondContact O-CG2 3.33Å; V95-T99 PolarHBondContact O-N 2.96Å; V95-T99 PolarHBondContact O-OG1 2.85Å; V95-Y107 HydrophobicContact CG1-CD1 3.99Å; V95-Y107 HydrophobicContact CG1-CE1 4.25Å; V95-Y107 HydrophobicContact CG1-CG 4.27Å; V95-W186 HydrophobicContact CG2-CD2 4.17Å; V95-W186 HydrophobicContact CG2-CE3 3.9Å; V95-W186 HydrophobicContact CG2-CH2 4.47Å; V95-W186 HydrophobicContact CG2-CZ3 4.05Å
96	K	97.3	Very high	97.5	Very high	57 Å²	57	32 Å²	32	25%	0.248	16%	0.156	C	C	.	.	H	α-helix	trans	-61.2	-44.8	175.7	-178.7	-179.6	176.8	-156.8	0	111.8	F91 T92 V93 E94 N98 T99 W104 I229	F91-K96 HydrophobicContact CD2-CB 4.49Å; F91-K96 HydrophobicContact CE1-CB 4.35Å; F91-K96 HydrophobicContact CE1-CD 4.29Å; F91-K96 HydrophobicContact CE1-CG 4.36Å; F91-K96 HydrophobicContact CE2-CB 3.72Å; F91-K96 HydrophobicContact CE2-CG 4.14Å; F91-K96 HydrophobicContact CZ-CB 3.65Å; F91-K96 HydrophobicContact CZ-CD 4.03Å; F91-K96 HydrophobicContact CZ-CG 3.63Å; T92-K96 WeakPolarHBondContact O-CB 3.49Å; T92-K96 PolarHBondContact O-N 3.48Å; V93-K96 PolarHBondContact O-N 2.95Å; E94-K96 VanDerWaalsContact C-N 3.34Å; E94-K96 PolarHBondContact O-N 2.72Å; K96-N98 PolarHBondContact O-N 3.12Å; K96-T99 PolarHBondContact O-N 3.49Å; K96-W104 VanDerWaalsContact CE-CH2 3.49Å; K96-W104 HydrophobicContact CG-CD2 4.15Å; K96-W104 HydrophobicContact CG-CH2 4.35Å; K96-W104 HydrophobicContact CG-CZ2 3.83Å; K96-W104 PolarHBondContact O-NE1 3.46Å; K96-I229 HydrophobicContact CD-CG2 4.27Å; K96-I229 WeakPolarHBondContact CE-O 3.33Å; K96-I229 HydrophobicContact CG-CG2 4.29Å; K96-I229 PolarHBondContact NZ-O 3.09Å
97	A	96.6	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-22.1	-179	0	0	0	0	0	113.3	V93 E94 Y227 R235 V245	V93-A97 WeakPolarHBondContact O-CB 3.39Å; V93-A97 PolarHBondContact O-N 3.15Å; E94-A97 PolarHBondContact O-N 2.87Å; A97-Y227 HydrophobicContact CB-CD1 4.04Å; A97-Y227 HydrophobicContact CB-CE1 4Å; A97-R235 WeakPolarHBondContact O-CD 3.45Å; A97-R235 PolarHBondContact O-NH1 3.41Å; A97-V245 HydrophobicContact CB-CB 3.68Å; A97-V245 HydrophobicContact CB-CG1 3.76Å; A97-V245 HydrophobicContact CB-CG2 4.06Å
98	N	96.9	Very high	97.6	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.027	18%	0.18	C	C	.	.	H	α-helix	trans	-105.2	-3.9	-175.7	-75.2	101.5	0	0	0	114.7	E94 V95 K96 W186 Q271 N300 M302	E94-N98 WeakPolarHBondContact O-CB 3.49Å; E94-N98 PolarHBondContact O-N 3.35Å; E94-N98 PolarHBondContact O-OD1 3.31Å; V95-N98 PolarHBondContact O-N 2.9Å; K96-N98 PolarHBondContact O-N 3.12Å; N98-W186 HydrophobicContact CB-CH2 4.32Å; N98-W186 HydrophobicContact CB-CZ2 3.41Å; N98-W186 VanDerWaalsContact CB-CZ2 3.41Å; N98-W186 PolarHBondContact OD1-NE1 2.75Å; N98-Q271 VanDerWaalsContact ND2-CB 3.33Å; N98-Q271 WeakPolarHBondContact ND2-CB 3.42Å; N98-N300 PolarHBondContact O-ND2 3.3Å; N98-M302 HydrophobicContact CB-SD 3.86Å; N98-M302 VanDerWaalsContact ND2-CB 3.32Å; N98-M302 WeakPolarHBondContact ND2-CB 3.26Å; N98-M302 PolarHBondContact ND2-SD 3.2Å
99	T	96.1	Very high	97.5	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	21%	0.211	C	C	.	.	S	Bend	trans	-117.3	153	-176.9	54.5	0	0	0	0	111.9	V95 K96 W104 Y107 M353	V95-T99 HydrophobicContact CG1-CG2 4.39Å; V95-T99 WeakPolarHBondContact O-CB 3.48Å; V95-T99 VanDerWaalsContact O-CG2 3.31Å; V95-T99 WeakPolarHBondContact O-CG2 3.33Å; V95-T99 PolarHBondContact O-N 2.96Å; V95-T99 PolarHBondContact O-OG1 2.85Å; K96-T99 PolarHBondContact O-N 3.49Å; T99-W104 PolarHBondContact O-NE1 3.18Å; T99-W104 VanDerWaalsContact O-NE1 3.08Å; T99-W104 PolarHBondContact OG1-NE1 2.8Å; T99-Y107 HydrophobicContact CG2-CD2 4.32Å; T99-Y107 HydrophobicContact CG2-CE2 3.5Å; T99-Y107 VanDerWaalsContact CG2-CE2 3.5Å; T99-M353 HydrophobicContact CG2-CG 4.29Å
100	Y	94.8	Very high	97.5	Very high	55 Å²	55	46.7 Å²	46.7	22%	0.216	22%	0.222	C	C	.	.			trans	-72.9	144.7	176.8	-73.9	-93	0	0	0	111.3	K102 Y103 V232 S354	Y100-K102 PolarHBondContact O-N 3.35Å; Y100-K102 VanDerWaalsContact O-N 3.12Å; Y100-Y103 PolarHBondContact O-N 3.36Å; Y100-V232 HydrophobicContact CD1-CB 4.33Å; Y100-V232 HydrophobicContact CD1-CG1 4.29Å; Y100-V232 HydrophobicContact CD1-CG2 3.65Å; Y100-V232 HydrophobicContact CE1-CG1 3.97Å; Y100-V232 HydrophobicContact CE1-CG2 4.14Å; Y100-V232 HydrophobicContact CG-CG2 4.22Å; Y100-S354 WeakPolarHBondContact CE2-O 3.43Å
101	E	94.3	Very high	97.5	Very high	71 Å²	71	46.5 Å²	46.5	33%	0.332	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-57.5	-30.9	-176.4	60.2	-89.1	-108.8	0	0	113.4	Y103 W104 T231 V232	E101-Y103 PolarHBondContact O-N 3.29Å; E101-Y103 VanDerWaalsContact O-N 3.14Å; E101-W104 HydrophobicContact CB-CD2 4.03Å; E101-W104 HydrophobicContact CB-CE3 4.05Å; E101-W104 HydrophobicContact CB-CH2 4.19Å; E101-W104 HydrophobicContact CB-CZ2 4.16Å; E101-W104 HydrophobicContact CB-CZ3 4.12Å; E101-W104 PolarHBondContact O-N 2.87Å; E101-T231 WeakPolarHBondContact OE1-CA 3.36Å; E101-T231 WeakPolarHBondContact OE1-CB 3.41Å; E101-V232 PolarHBondContact OE1-N 2.71Å; E101-V232 WeakPolarHBondContact OE2-CG2 3.47Å
102	K	95.6	Very high	97.4	Very high	132 Å²	132	45.2 Å²	45.2	57%	0.574	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-54.7	-30.2	173.4	-178.5	-179.5	176.1	-174.8	0	112.7	Y100 D347	Y100-K102 PolarHBondContact O-N 3.35Å; Y100-K102 VanDerWaalsContact O-N 3.12Å; K102-D347 PolarHBondContact NZ-O 3.14Å
103	Y	97.6	Very high	97.4	Very high	30 Å²	30	47.9 Å²	47.9	12%	0.118	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-103.8	-5.9	-176.5	-59	-69	0	0	0	113.8	Y100 E101 P105 F106 Y107 L351 W352	Y100-Y103 PolarHBondContact O-N 3.36Å; E101-Y103 PolarHBondContact O-N 3.29Å; E101-Y103 VanDerWaalsContact O-N 3.14Å; Y103-P105 VanDerWaalsContact C-CD 3.5Å; Y103-P105 VanDerWaalsContact C-N 3.33Å; Y103-F106 WeakPolarHBondContact O-CA 3.45Å; Y103-F106 VanDerWaalsContact O-CB 3.27Å; Y103-F106 WeakPolarHBondContact O-CB 3.26Å; Y103-F106 PolarHBondContact O-N 2.77Å; Y103-Y107 WeakPolarHBondContact O-CD2 3.46Å; Y103-Y107 PolarHBondContact O-N 3.31Å; Y103-Y107 VanDerWaalsContact O-N 3.15Å; Y103-L351 WeakPolarHBondContact CD2-O 3.42Å; Y103-L351 WeakPolarHBondContact CE2-O 3.47Å; Y103-L351 PolarHBondContact OH-N 2.93Å; Y103-L351 VanDerWaalsContact OH-N 3.14Å; Y103-W352 AromaticContact CD1-CD1 3.97Å
104	W	97.9	Very high	97.4	Very high	30 Å²	30	49.3 Å²	49.3	11%	0.114	25%	0.248	C	C	.	.	H	α-helix	trans	-54.1	-43.2	176.4	-64.6	-7.7	0	0	0	113.2	F91 K96 T99 E101 F106 Y107 Q108 I229 R230	F91-W104 HydrophobicContact CE1-CB 4.25Å; F91-W104 HydrophobicContact CE2-CB 4.04Å; F91-W104 AromaticContact CE2-CD1 3.73Å; F91-W104 AromaticContact CE2-CG 3.93Å; F91-W104 HydrophobicContact CE2-CG 3.93Å; F91-W104 HydrophobicContact CZ-CB 3.49Å; F91-W104 VanDerWaalsContact CZ-CB 3.49Å; F91-W104 AromaticContact CZ-CD1 3.71Å; F91-W104 HydrophobicContact CZ-CD2 4.05Å; F91-W104 AromaticContact CZ-CG 3.46Å; F91-W104 HydrophobicContact CZ-CG 3.46Å; F91-W104 VanDerWaalsContact CZ-CG 3.46Å; K96-W104 VanDerWaalsContact CE-CH2 3.49Å; K96-W104 HydrophobicContact CG-CD2 4.15Å; K96-W104 HydrophobicContact CG-CH2 4.35Å; K96-W104 HydrophobicContact CG-CZ2 3.83Å; K96-W104 PolarHBondContact O-NE1 3.46Å; T99-W104 PolarHBondContact O-NE1 3.18Å; T99-W104 VanDerWaalsContact O-NE1 3.08Å; T99-W104 PolarHBondContact OG1-NE1 2.8Å; E101-W104 HydrophobicContact CB-CD2 4.03Å; E101-W104 HydrophobicContact CB-CE3 4.05Å; E101-W104 HydrophobicContact CB-CH2 4.19Å; E101-W104 HydrophobicContact CB-CZ2 4.16Å; E101-W104 HydrophobicContact CB-CZ3 4.12Å; E101-W104 PolarHBondContact O-N 2.87Å; W104-F106 PolarHBondContact O-N 2.72Å; W104-Y107 PolarHBondContact O-N 2.77Å; W104-Q108 VanDerWaalsContact O-CG 3.29Å; W104-Q108 WeakPolarHBondContact O-CG 3.28Å; W104-Q108 PolarHBondContact O-N 3.25Å; W104-I229 HydrophobicContact CH2-CG1 4.23Å; W104-I229 HydrophobicContact CZ2-CD1 4.06Å; W104-I229 HydrophobicContact CZ2-CG1 4.22Å; W104-R230 VanDerWaalsContact CH2-C 3.5Å; W104-R230 WeakPolarHBondContact CH2-O 3.34Å; W104-R230 WeakPolarHBondContact CZ3-O 3.49Å
105	P	98.5	Very high	97.4	Very high	80 Å²	80	49.2 Å²	49.2	52%	0.519	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-30.5	175	-23.8	35.6	0	0	0	113.7	Y103 K109	Y103-P105 VanDerWaalsContact C-CD 3.5Å; Y103-P105 VanDerWaalsContact C-N 3.33Å; P105-K109 VanDerWaalsContact O-CB 3.29Å; P105-K109 WeakPolarHBondContact O-CB 3.23Å; P105-K109 PolarHBondContact O-N 3.34Å; P105-K109 VanDerWaalsContact O-N 3.09Å
106	F	98.6	Very high	97.5	Very high	34 Å²	34	52 Å²	52	15%	0.149	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-49.5	175.4	167.4	-93.5	0	0	0	110.6	V88 Y103 W104 Q108 K109 H110 F115 W352	V88-F106 HydrophobicContact CB-CE1 4.42Å; V88-F106 HydrophobicContact CG1-CD1 4.36Å; V88-F106 HydrophobicContact CG1-CE1 3.78Å; V88-F106 HydrophobicContact CG1-CZ 4.4Å; V88-F106 HydrophobicContact CG2-CE1 3.68Å; V88-F106 HydrophobicContact CG2-CZ 3.52Å; Y103-F106 WeakPolarHBondContact O-CA 3.45Å; Y103-F106 VanDerWaalsContact O-CB 3.27Å; Y103-F106 WeakPolarHBondContact O-CB 3.26Å; Y103-F106 PolarHBondContact O-N 2.77Å; W104-F106 PolarHBondContact O-N 2.72Å; F106-Q108 PolarHBondContact O-N 2.97Å; F106-K109 PolarHBondContact O-N 2.96Å; F106-H110 AromaticContact CD2-CD2 3.45Å; F106-H110 VanDerWaalsContact CD2-CD2 3.45Å; F106-H110 WeakPolarHBondContact CD2-CD2 3.4Å; F106-H110 HydrophobicContact CE2-CB 4.3Å; F106-H110 AromaticContact CE2-CD2 3.69Å; F106-H110 HydrophobicContact CZ-CB 4.44Å; F106-H110 WeakPolarHBondContact O-CB 3.34Å; F106-H110 PolarHBondContact O-CD2 2.96Å; F106-H110 PolarHBondContact O-N 3.29Å; F106-F115 HydrophobicContact CE1-CD1 4.22Å; F106-F115 AromaticContact CE1-CE1 3.83Å; F106-F115 HydrophobicContact CE1-CE1 3.83Å; F106-F115 AromaticContact CZ-CD1 3.88Å; F106-F115 HydrophobicContact CZ-CD1 3.88Å; F106-F115 AromaticContact CZ-CE1 3.99Å; F106-F115 HydrophobicContact CZ-CE1 3.99Å; F106-W352 AromaticContact CD1-CD1 3.62Å; F106-W352 HydrophobicContact CD1-CG 4.36Å; F106-W352 AromaticContact CD2-NE1 3.96Å; F106-W352 AromaticContact CE1-CD1 3.53Å; F106-W352 HydrophobicContact CE1-CD2 4.39Å; F106-W352 AromaticContact CE1-CG 3.96Å; F106-W352 HydrophobicContact CE1-CG 3.96Å; F106-W352 AromaticContact CE1-NE1 3.73Å; F106-W352 AromaticContact CE2-NE1 3.69Å; F106-W352 AromaticContact CZ-CD1 3.88Å; F106-W352 HydrophobicContact CZ-CD2 4.37Å; F106-W352 AromaticContact CZ-CE2 3.91Å; F106-W352 HydrophobicContact CZ-CG 4.37Å; F106-W352 HydrophobicContact CZ-CZ2 4.46Å; F106-W352 AromaticContact CZ-NE1 3.56Å
107	Y	98.6	Very high	97.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-39.7	177.6	-69	-77	0	0	0	112.6	V88 P89 F91 V95 T99 Y103 W104 K109 G111 W352 M353	V88-Y107 HydrophobicContact CG1-CD1 3.47Å; V88-Y107 VanDerWaalsContact CG1-CD1 3.47Å; V88-Y107 HydrophobicContact CG1-CE1 3.95Å; V88-Y107 HydrophobicContact CG1-CG 4.38Å; P89-Y107 HydrophobicContact CG-CD1 4.19Å; P89-Y107 HydrophobicContact CG-CE1 4Å; F91-Y107 HydrophobicContact CD2-CD2 4.45Å; F91-Y107 HydrophobicContact CD2-CG 4.03Å; F91-Y107 HydrophobicContact CE2-CD2 4.49Å; V95-Y107 HydrophobicContact CG1-CD1 3.99Å; V95-Y107 HydrophobicContact CG1-CE1 4.25Å; V95-Y107 HydrophobicContact CG1-CG 4.27Å; T99-Y107 HydrophobicContact CG2-CD2 4.32Å; T99-Y107 HydrophobicContact CG2-CE2 3.5Å; T99-Y107 VanDerWaalsContact CG2-CE2 3.5Å; Y103-Y107 WeakPolarHBondContact O-CD2 3.46Å; Y103-Y107 PolarHBondContact O-N 3.31Å; Y103-Y107 VanDerWaalsContact O-N 3.15Å; W104-Y107 PolarHBondContact O-N 2.77Å; Y107-K109 VanDerWaalsContact C-N 3.28Å; Y107-K109 PolarHBondContact O-N 3.16Å; Y107-G111 WeakPolarHBondContact O-CA 3.3Å; Y107-G111 PolarHBondContact O-N 3.1Å; Y107-W352 WeakPolarHBondContact OH-CB 3.46Å; Y107-W352 PolarHBondContact OH-O 3.06Å; Y107-M353 VanDerWaalsContact OH-CG 3.25Å; Y107-M353 WeakPolarHBondContact OH-CG 3.38Å
108	Q	98.4	Very high	97.6	Very high	128 Å²	128	58.9 Å²	58.9	60%	0.598	32%	0.315	S	S	*	.	H	α-helix	trans	-59.5	-40.4	175.6	-73.6	174	-34.4	0	0	112.3	F91 W104 F106	F91-Q108 HydrophobicContact CB-CG 4.38Å; F91-Q108 HydrophobicContact CD1-CB 4.5Å; F91-Q108 HydrophobicContact CD1-CG 3.28Å; F91-Q108 HydrophobicContact CE1-CG 3.62Å; F91-Q108 HydrophobicContact CG-CG 3.95Å; W104-Q108 VanDerWaalsContact O-CG 3.29Å; W104-Q108 WeakPolarHBondContact O-CG 3.28Å; W104-Q108 PolarHBondContact O-N 3.25Å; F106-Q108 PolarHBondContact O-N 2.97Å
109	K	98.5	Very high	97.7	Very high	151 Å²	151	59.8 Å²	59.8	66%	0.657	32%	0.319	S	S	*	.	H	α-helix	trans	-81.4	-36.3	-177.5	-177.1	177	175.9	-174.9	0	113.2	P105 F106 Y107 Q113	P105-K109 VanDerWaalsContact O-CB 3.29Å; P105-K109 WeakPolarHBondContact O-CB 3.23Å; P105-K109 PolarHBondContact O-N 3.34Å; P105-K109 VanDerWaalsContact O-N 3.09Å; F106-K109 PolarHBondContact O-N 2.96Å; Y107-K109 VanDerWaalsContact C-N 3.28Å; Y107-K109 PolarHBondContact O-N 3.16Å; K109-Q113 PolarHBondContact O-NE2 2.76Å
110	H	98.5	Very high	97.8	Very high	49 Å²	49	60.3 Å²	60.3	23%	0.227	32%	0.322	C	S	.	.	H	α-helix	trans	-111.6	-1.6	-168.6	-63.7	-71.5	0	0	0	114.2	V88 F106 G112 Q113	V88-H110 HydrophobicContact CB-CB 4.35Å; V88-H110 WeakPolarHBondContact CB-O 3.23Å; V88-H110 HydrophobicContact CG1-CB 4.27Å; V88-H110 HydrophobicContact CG2-CB 4.1Å; F106-H110 AromaticContact CD2-CD2 3.45Å; F106-H110 VanDerWaalsContact CD2-CD2 3.45Å; F106-H110 WeakPolarHBondContact CD2-CD2 3.4Å; F106-H110 HydrophobicContact CE2-CB 4.3Å; F106-H110 AromaticContact CE2-CD2 3.69Å; F106-H110 HydrophobicContact CZ-CB 4.44Å; F106-H110 WeakPolarHBondContact O-CB 3.34Å; F106-H110 PolarHBondContact O-CD2 2.96Å; F106-H110 PolarHBondContact O-N 3.29Å; H110-G112 PolarHBondContact O-N 2.73Å; H110-Q113 PolarHBondContact ND1-OE1 3.39Å; H110-Q113 WeakPolarHBondContact O-CA 3.45Å; H110-Q113 VanDerWaalsContact O-CB 3.23Å; H110-Q113 WeakPolarHBondContact O-CB 3.35Å; H110-Q113 PolarHBondContact O-N 2.69Å
111	G	98.3	Very high	98	Very high	30 Å²	30	65.3 Å²	65.3	31%	0.309	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	127.7	177.6	0	0	0	0	0	112.4	P89 Y107 Q113	P89-G111 WeakPolarHBondContact O-CA 3.46Å; Y107-G111 WeakPolarHBondContact O-CA 3.3Å; Y107-G111 PolarHBondContact O-N 3.1Å; G111-Q113 VanDerWaalsContact C-N 3.33Å
112	G	96.8	Very high	98.2	Very high	26 Å²	26	67 Å²	67	27%	0.268	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-1.3	-173.6	0	0	0	0	0	115.2	H87 V88 H110	H87-G112 PolarHBondContact CD2-O 3Å; V88-G112 PolarHBondContact O-N 3.45Å; H110-G112 PolarHBondContact O-N 2.73Å
113	Q	98.2	Very high	98.4	Very high	100 Å²	100	60.7 Å²	60.7	47%	0.467	32%	0.324	S	S	.	.	S	Bend	trans	-105	164	175.1	-55.8	169.5	27.4	0	0	111	H87 V88 K109 H110 G111	H87-Q113 CarbonylContact C-O 3.55Å; H87-Q113 WeakPolarHBondContact CA-O 3.23Å; H87-Q113 PolarHBondContact CD2-O 2.81Å; V88-Q113 PolarHBondContact N-O 2.79Å; K109-Q113 PolarHBondContact O-NE2 2.76Å; H110-Q113 PolarHBondContact ND1-OE1 3.39Å; H110-Q113 WeakPolarHBondContact O-CA 3.45Å; H110-Q113 VanDerWaalsContact O-CB 3.23Å; H110-Q113 WeakPolarHBondContact O-CB 3.35Å; H110-Q113 PolarHBondContact O-N 2.69Å; G111-Q113 VanDerWaalsContact C-N 3.33Å
114	S	98.1	Very high	98.4	Very high	53 Å²	53	61.1 Å²	61.1	37%	0.371	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-61.1	146.1	172.8	-179.3	0	0	0	0	111.5	H87	H87-S114 PolarHBondContact CD2-N 3.08Å; H87-S114 PolarHBondContact NE2-N 3.03Å
115	F	98.6	Very high	98.5	Very high	1 Å²	1	62.6 Å²	62.6	0%	0.004	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-58.4	157.9	160	-79.7	-83.8	0	0	0	110.4	A86 H87 V88 F106 A117 L120 W352 M353 L401	A86-F115 HydrophobicContact CB-CD2 3.87Å; A86-F115 PolarHBondContact O-N 2.54Å; H87-F115 VanDerWaalsContact C-CE2 3.45Å; H87-F115 VanDerWaalsContact O-CE2 3.25Å; H87-F115 WeakPolarHBondContact O-CE2 3.29Å; V88-F115 HydrophobicContact CB-CZ 4.48Å; V88-F115 HydrophobicContact CG2-CD1 3.8Å; V88-F115 HydrophobicContact CG2-CD2 4.03Å; V88-F115 HydrophobicContact CG2-CE1 3.87Å; V88-F115 HydrophobicContact CG2-CE2 4.12Å; V88-F115 HydrophobicContact CG2-CG 3.88Å; V88-F115 HydrophobicContact CG2-CZ 4.03Å; F106-F115 HydrophobicContact CE1-CD1 4.22Å; F106-F115 AromaticContact CE1-CE1 3.83Å; F106-F115 HydrophobicContact CE1-CE1 3.83Å; F106-F115 AromaticContact CZ-CD1 3.88Å; F106-F115 HydrophobicContact CZ-CD1 3.88Å; F106-F115 AromaticContact CZ-CE1 3.99Å; F106-F115 HydrophobicContact CZ-CE1 3.99Å; F115-A117 PolarHBondContact O-N 2.83Å; F115-A117 VanDerWaalsContact O-N 3.13Å; F115-L120 HydrophobicContact CB-CD1 4.02Å; F115-L120 HydrophobicContact CB-CD2 3.85Å; F115-L120 HydrophobicContact CB-CG 3.96Å; F115-W352 AromaticContact CD1-CD2 3.7Å; F115-W352 HydrophobicContact CD1-CD2 3.7Å; F115-W352 AromaticContact CD1-CE3 3.33Å; F115-W352 HydrophobicContact CD1-CE3 3.33Å; F115-W352 HydrophobicContact CD1-CG 4.45Å; F115-W352 AromaticContact CD1-CH2 3.93Å; F115-W352 HydrophobicContact CD1-CH2 3.93Å; F115-W352 HydrophobicContact CD1-CZ2 4.23Å; F115-W352 AromaticContact CD1-CZ3 3.46Å; F115-W352 HydrophobicContact CD1-CZ3 3.46Å; F115-W352 VanDerWaalsContact CD1-CZ3 3.46Å; F115-W352 HydrophobicContact CE1-CB 4.09Å; F115-W352 AromaticContact CE1-CD2 3.55Å; F115-W352 HydrophobicContact CE1-CD2 3.55Å; F115-W352 AromaticContact CE1-CE3 3.35Å; F115-W352 HydrophobicContact CE1-CE3 3.35Å; F115-W352 AromaticContact CE1-CG 3.88Å; F115-W352 HydrophobicContact CE1-CG 3.88Å; F115-W352 AromaticContact CE1-CZ3 4Å; F115-W352 HydrophobicContact CE1-CZ3 4Å; F115-W352 HydrophobicContact CG-CE3 4.42Å; F115-W352 HydrophobicContact CG-CZ3 4.26Å; F115-W352 HydrophobicContact CZ-CE3 4.45Å; F115-M353 HydrophobicContact CZ-CE 4.07Å; F115-L401 HydrophobicContact CD1-CD2 4.21Å; F115-L401 HydrophobicContact CD2-CD2 4.06Å; F115-L401 HydrophobicContact CE1-CD2 4.39Å; F115-L401 HydrophobicContact CE2-CD2 4.23Å; F115-L401 HydrophobicContact CG-CD2 4.05Å; F115-L401 HydrophobicContact CZ-CD2 4.4Å
116	P	98.5	Very high	98.5	Very high	58 Å²	58	59.8 Å²	59.8	38%	0.377	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-52.6	119.8	-178.2	-28.7	36.3	0	0	0	112.8	D118 H119 L120 W352	P116-D118 VanDerWaalsContact C-N 3.33Å; P116-D118 PolarHBondContact O-N 2.88Å; P116-H119 HydrophobicContact CB-CB 4.1Å; P116-H119 WeakPolarHBondContact O-CA 3.43Å; P116-H119 VanDerWaalsContact O-CB 3.29Å; P116-H119 WeakPolarHBondContact O-CB 3.14Å; P116-H119 PolarHBondContact O-N 2.87Å; P116-L120 PolarHBondContact O-N 3.07Å; P116-W352 HydrophobicContact CG-CH2 4.14Å; P116-W352 HydrophobicContact CG-CZ2 3.82Å
117	A	98.1	Very high	98.5	Very high	71 Å²	71	58.2 Å²	58.2	59%	0.587	32%	0.321	S	S	*	.	H	α-helix	trans	-59.3	-40.6	-170.6	0	0	0	0	0	113.3	F115 H119 L120 K121	F115-A117 PolarHBondContact O-N 2.83Å; F115-A117 VanDerWaalsContact O-N 3.13Å; A117-H119 PolarHBondContact O-N 2.85Å; A117-L120 PolarHBondContact O-N 3.09Å; A117-K121 WeakPolarHBondContact O-CB 3.38Å; A117-K121 PolarHBondContact O-N 2.84Å
118	D	98.4	Very high	98.5	Very high	132 Å²	132	61.1 Å²	61.1	71%	0.706	34%	0.335	S	S	*	.	H	α-helix	trans	-63.5	-31.5	176.6	-70.1	-27.4	0	0	0	112.4	P116 K122	P116-D118 VanDerWaalsContact C-N 3.33Å; P116-D118 PolarHBondContact O-N 2.88Å; D118-K122 WeakPolarHBondContact O-CG 3.41Å
119	H	98.7	Very high	98.5	Very high	23 Å²	23	59.6 Å²	59.6	11%	0.106	33%	0.328	C	S	.	.	H	α-helix	trans	-74	-45	176.2	-159.4	102.9	0	0	0	110.8	P116 A117 K121 K122 A123 W352 H397 S400	P116-H119 HydrophobicContact CB-CB 4.1Å; P116-H119 WeakPolarHBondContact O-CA 3.43Å; P116-H119 VanDerWaalsContact O-CB 3.29Å; P116-H119 WeakPolarHBondContact O-CB 3.14Å; P116-H119 PolarHBondContact O-N 2.87Å; A117-H119 PolarHBondContact O-N 2.85Å; H119-K121 VanDerWaalsContact C-N 3.32Å; H119-K121 PolarHBondContact O-N 2.87Å; H119-K122 PolarHBondContact O-N 2.79Å; H119-A123 PolarHBondContact O-N 3.49Å; H119-W352 HydrophobicContact CB-CH2 4.01Å; H119-W352 AromaticContact CD2-CH2 3.66Å; H119-W352 AromaticContact CD2-CZ3 3.81Å; H119-W352 AromaticContact CG-CH2 3.62Å; H119-H397 PolarHBondContact CD2-O 2.9Å; H119-H397 AromaticContact CE1-CD2 3.69Å; H119-H397 AromaticContact ND1-CD2 3.92Å; H119-H397 PolarHBondContact NE2-O 3.19Å; H119-S400 PolarHBondContact CE1-OG 3.27Å; H119-S400 WeakPolarHBondContact NE2-CB 3.49Å; H119-S400 PolarHBondContact NE2-OG 2.8Å
120	L	98.7	Very high	98.5	Very high	12 Å²	12	52.4 Å²	52.4	6%	0.063	30%	0.296	C	S	.	.	H	α-helix	trans	-60.6	-40.6	175.9	-66.7	-174.9	0	0	0	112	A86 F115 P116 A117 K122 A123 V124 L401	A86-L120 HydrophobicContact CB-CD1 4.28Å; A86-L120 HydrophobicContact CB-CD2 3.95Å; F115-L120 HydrophobicContact CB-CD1 4.02Å; F115-L120 HydrophobicContact CB-CD2 3.85Å; F115-L120 HydrophobicContact CB-CG 3.96Å; P116-L120 PolarHBondContact O-N 3.07Å; A117-L120 PolarHBondContact O-N 3.09Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 3.42Å; L120-A123 PolarHBondContact O-N 2.78Å; L120-A123 VanDerWaalsContact O-N 3.16Å; L120-V124 WeakPolarHBondContact O-CG2 3.42Å; L120-V124 PolarHBondContact O-N 3.13Å; L120-L401 HydrophobicContact CD2-CD1 4.04Å; L120-L401 HydrophobicContact CD2-CD2 4.01Å
121	K	98.8	Very high	98.6	Very high	160 Å²	160	50.1 Å²	50.1	70%	0.696	29%	0.286	S	S	*	.	H	α-helix	trans	-57.3	-40	176.8	-174.9	178.5	179.6	-179.8	0	112.3	A117 H119 A125	A117-K121 WeakPolarHBondContact O-CB 3.38Å; A117-K121 PolarHBondContact O-N 2.84Å; H119-K121 VanDerWaalsContact C-N 3.32Å; H119-K121 PolarHBondContact O-N 2.87Å; K121-A125 PolarHBondContact O-N 3.18Å
122	K	98.8	Very high	98.6	Very high	107 Å²	107	51.5 Å²	51.5	47%	0.465	29%	0.286	S	S	.	.	H	α-helix	trans	-70.8	-43.8	176.2	-64.4	174.3	-174.4	175.2	0	111.5	D118 H119 L120 V124 A125 E126 H397	D118-K122 WeakPolarHBondContact O-CG 3.41Å; H119-K122 PolarHBondContact O-N 2.79Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 3.42Å; K122-V124 VanDerWaalsContact C-N 3.32Å; K122-V124 PolarHBondContact O-N 2.84Å; K122-A125 PolarHBondContact O-N 2.81Å; K122-A125 VanDerWaalsContact O-N 3.17Å; K122-E126 WeakPolarHBondContact O-CG 3.49Å; K122-E126 PolarHBondContact O-N 2.63Å; K122-H397 HydrophobicContact CB-CB 3.86Å; K122-H397 WeakPolarHBondContact CD-CD2 3.26Å; K122-H397 WeakPolarHBondContact CD-NE2 3.44Å; K122-H397 PolarHBondContact NZ-NE2 3.41Å
123	A	98.8	Very high	98.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.2	-41.9	175.6	0	0	0	0	0	112	A83 H119 L120 A125 E126 I127 H397 A398	A83-A123 HydrophobicContact CB-CB 3.95Å; H119-A123 PolarHBondContact O-N 3.49Å; L120-A123 PolarHBondContact O-N 2.78Å; L120-A123 VanDerWaalsContact O-N 3.16Å; A123-A125 PolarHBondContact O-N 3.5Å; A123-E126 PolarHBondContact O-N 2.85Å; A123-I127 WeakPolarHBondContact O-CB 3.1Å; A123-I127 VanDerWaalsContact O-CG1 3.24Å; A123-I127 WeakPolarHBondContact O-CG1 3.45Å; A123-I127 PolarHBondContact O-N 3.17Å; A123-H397 HydrophobicContact CB-CB 4.42Å; A123-A398 HydrophobicContact CB-CB 4.11Å
124	V	98.9	Very high	98.7	Very high	38 Å²	38	47.1 Å²	47.1	23%	0.23	26%	0.259	C	S	.	.	H	α-helix	trans	-57.8	-50.3	173.6	171.3	0	0	0	0	110.5	A83 E84 L120 K122 E126 I127 E128	A83-V124 HydrophobicContact CB-CG2 3.84Å; E84-V124 HydrophobicContact CG-CG2 3.94Å; L120-V124 WeakPolarHBondContact O-CG2 3.42Å; L120-V124 PolarHBondContact O-N 3.13Å; K122-V124 VanDerWaalsContact C-N 3.32Å; K122-V124 PolarHBondContact O-N 2.84Å; V124-E126 VanDerWaalsContact C-N 3.35Å; V124-E126 PolarHBondContact O-N 3.25Å; V124-I127 PolarHBondContact O-N 2.8Å; V124-E128 HydrophobicContact CG1-CG 4.38Å; V124-E128 WeakPolarHBondContact O-CG 3.24Å; V124-E128 PolarHBondContact O-N 3.31Å
125	A	98.9	Very high	98.8	Very high	62 Å²	62	49.9 Å²	49.9	51%	0.512	26%	0.262	S	S	.	.	H	α-helix	trans	-61	-42.1	-179.8	0	0	0	0	0	112.8	K121 K122 A123 E129	K121-A125 PolarHBondContact O-N 3.18Å; K122-A125 PolarHBondContact O-N 2.81Å; K122-A125 VanDerWaalsContact O-N 3.17Å; A123-A125 PolarHBondContact O-N 3.5Å; A125-E129 PolarHBondContact O-N 3.07Å; A125-E129 VanDerWaalsContact O-N 3.11Å
126	E	98.9	Very high	98.8	Very high	20 Å²	20	57.7 Å²	57.7	9%	0.093	30%	0.298	C	S	.	.	H	α-helix	trans	-62.2	-43.1	176.7	-72.4	172.4	171.4	0	0	112.1	K122 A123 V124 E129 M130 N394 I395 R396 H397 A398	K122-E126 WeakPolarHBondContact O-CG 3.49Å; K122-E126 PolarHBondContact O-N 2.63Å; A123-E126 PolarHBondContact O-N 2.85Å; V124-E126 VanDerWaalsContact C-N 3.35Å; V124-E126 PolarHBondContact O-N 3.25Å; E126-E129 PolarHBondContact O-N 3.48Å; E126-M130 PolarHBondContact O-N 2.92Å; E126-N394 WeakPolarHBondContact CB-O 3.43Å; E126-N394 WeakPolarHBondContact CG-O 3.44Å; E126-I395 HydrophobicContact CB-CG2 4.47Å; E126-I395 WeakPolarHBondContact OE2-CA 3.34Å; E126-R396 PolarHBondContact OE1-N 2.94Å; E126-R396 PolarHBondContact OE2-N 3.38Å; E126-H397 IonicContact OE1-CE1 3.78Å; E126-H397 IonicContact OE1-CG 2.58Å; E126-H397 PolarHBondContact OE1-N 3.21Å; E126-H397 VanDerWaalsContact OE1-N 3.11Å; E126-H397 IonicContact OE1-ND1 2.75Å; E126-H397 PolarHBondContact OE1-ND1 3.24Å; E126-H397 WeakPolarHBondContact OE2-CA 3.44Å; E126-H397 WeakPolarHBondContact OE2-CB 3.44Å; E126-H397 PolarHBondContact OE2-N 3.16Å; E126-A398 PolarHBondContact OE2-N 3.02Å
127	I	98.9	Very high	98.8	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-75	-33.3	-178.6	-64	-63.6	0	0	0	112.1	V80 A123 V124 E129 M130 C131 I395 A398 W408	V80-I127 HydrophobicContact CG1-CG2 3.71Å; A123-I127 WeakPolarHBondContact O-CB 3.1Å; A123-I127 VanDerWaalsContact O-CG1 3.24Å; A123-I127 WeakPolarHBondContact O-CG1 3.45Å; A123-I127 PolarHBondContact O-N 3.17Å; V124-I127 PolarHBondContact O-N 2.8Å; I127-E129 VanDerWaalsContact C-N 3.29Å; I127-E129 PolarHBondContact O-N 2.83Å; I127-M130 HydrophobicContact CD1-SD 4.07Å; I127-M130 WeakPolarHBondContact O-CB 3.44Å; I127-M130 PolarHBondContact O-N 3.16Å; I127-C131 PolarHBondContact O-N 3.43Å; I127-C131 PolarHBondContact O-SG 3.36Å; I127-I395 HydrophobicContact CD1-CG2 4.13Å; I127-A398 HydrophobicContact CD1-CB 3.79Å; I127-A398 HydrophobicContact CG1-CB 3.86Å; I127-W408 HydrophobicContact CB-CZ3 4.4Å; I127-W408 HydrophobicContact CD1-CD2 3.47Å; I127-W408 VanDerWaalsContact CD1-CD2 3.47Å; I127-W408 HydrophobicContact CD1-CE3 3.46Å; I127-W408 VanDerWaalsContact CD1-CE3 3.46Å; I127-W408 HydrophobicContact CD1-CG 3.98Å; I127-W408 HydrophobicContact CD1-CH2 4.18Å; I127-W408 HydrophobicContact CD1-CZ2 4.2Å; I127-W408 HydrophobicContact CD1-CZ3 3.83Å; I127-W408 HydrophobicContact CG1-CD2 4.17Å; I127-W408 HydrophobicContact CG1-CE3 3.75Å; I127-W408 HydrophobicContact CG1-CH2 3.81Å; I127-W408 HydrophobicContact CG1-CZ2 4.21Å; I127-W408 HydrophobicContact CG1-CZ3 3.56Å; I127-W408 HydrophobicContact CG2-CE3 4.18Å; I127-W408 HydrophobicContact CG2-CZ3 4.16Å
128	E	98.9	Very high	98.8	Very high	61 Å²	61	57 Å²	57	29%	0.285	29%	0.294	S	S	.	.	H	α-helix	trans	-62.8	-39.1	169.9	-70.4	-47.2	131.6	0	0	111.5	V124 C131 N132 R143	V124-E128 HydrophobicContact CG1-CG 4.38Å; V124-E128 WeakPolarHBondContact O-CG 3.24Å; V124-E128 PolarHBondContact O-N 3.31Å; E128-C131 WeakPolarHBondContact O-CB 3.31Å; E128-C131 PolarHBondContact O-N 3.16Å; E128-N132 VanDerWaalsContact O-CG 3.3Å; E128-N132 PolarHBondContact O-N 3.48Å; E128-N132 PolarHBondContact O-ND2 3.39Å; E128-R143 VanDerWaalsContact CD-NH1 3.31Å; E128-R143 IonicContact OE1-CZ 3.43Å; E128-R143 IonicContact OE1-NH1 2.84Å; E128-R143 PolarHBondContact OE1-NH1 3.18Å; E128-R143 IonicContact OE1-NH2 3.84Å; E128-R143 PolarHBondContact OE1-NH2 2.84Å; E128-R143 VanDerWaalsContact OE1-NH2 3.1Å; E128-R143 IonicContact OE2-NH1 2.83Å; E128-R143 PolarHBondContact OE2-NH1 3.05Å
129	E	98.9	Very high	98.8	Very high	97 Å²	97	51 Å²	51	45%	0.453	26%	0.262	S	S	.	.	H	α-helix	trans	-68.2	-40.8	175.5	-176.4	55.1	-162.9	0	0	112.3	A125 E126 I127 C131 N132 I133	A125-E129 PolarHBondContact O-N 3.07Å; A125-E129 VanDerWaalsContact O-N 3.11Å; E126-E129 PolarHBondContact O-N 3.48Å; I127-E129 VanDerWaalsContact C-N 3.29Å; I127-E129 PolarHBondContact O-N 2.83Å; E129-C131 PolarHBondContact O-N 2.89Å; E129-N132 WeakPolarHBondContact O-CB 3.27Å; E129-N132 PolarHBondContact O-N 3.14Å; E129-N132 VanDerWaalsContact O-N 3.08Å; E129-N132 PolarHBondContact OE2-ND2 2.77Å; E129-I133 HydrophobicContact CG-CD1 4.11Å; E129-I133 WeakPolarHBondContact O-CG1 3.24Å; E129-I133 PolarHBondContact O-N 3.36Å
130	M	98.9	Very high	98.8	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-54.4	-43.2	169.8	179.4	-177	168.5	0	0	111.6	E126 I127 I133 L134 M371 V393 I395 F405 T409	E126-M130 PolarHBondContact O-N 2.92Å; I127-M130 HydrophobicContact CD1-SD 4.07Å; I127-M130 WeakPolarHBondContact O-CB 3.44Å; I127-M130 PolarHBondContact O-N 3.16Å; M130-I133 PolarHBondContact O-N 2.86Å; M130-L134 HydrophobicContact CE-CD1 4.13Å; M130-L134 HydrophobicContact CG-CD1 4.25Å; M130-L134 WeakPolarHBondContact O-CG 3.46Å; M130-L134 PolarHBondContact O-N 3.05Å; M130-M371 HydrophobicContact CE-SD 3.89Å; M130-M371 HydrophobicContact CG-SD 3.81Å; M130-M371 HydrophobicContact SD-SD 4.41Å; M130-V393 HydrophobicContact CB-CG1 3.98Å; M130-V393 HydrophobicContact CG-CG1 4.45Å; M130-I395 HydrophobicContact SD-CG2 4.43Å; M130-F405 HydrophobicContact CE-CB 4.37Å; M130-F405 HydrophobicContact CE-CD1 3.89Å; M130-F405 HydrophobicContact SD-CD1 3.91Å; M130-F405 HydrophobicContact SD-CE1 4.38Å; M130-T409 HydrophobicContact CE-CG2 3.42Å; M130-T409 VanDerWaalsContact CE-CG2 3.42Å
131	C	98.9	Very high	98.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-41	175.9	-67	0	0	0	0	112.2	I127 E128 E129 I133 L134 R135 V141 R143	I127-C131 PolarHBondContact O-N 3.43Å; I127-C131 PolarHBondContact O-SG 3.36Å; E128-C131 WeakPolarHBondContact O-CB 3.31Å; E128-C131 PolarHBondContact O-N 3.16Å; E129-C131 PolarHBondContact O-N 2.89Å; C131-I133 VanDerWaalsContact C-N 3.35Å; C131-L134 PolarHBondContact O-N 3.43Å; C131-R135 WeakPolarHBondContact O-CG 3.39Å; C131-R135 PolarHBondContact O-N 2.9Å; C131-V141 HydrophobicContact CB-CG1 4.11Å; C131-R143 PolarHBondContact SG-NH1 3.05Å; C131-R143 VanDerWaalsContact SG-NH1 3.42Å
132	N	98.9	Very high	98.9	Very high	60 Å²	60	47.9 Å²	47.9	32%	0.321	26%	0.255	S	S	.	.	H	α-helix	trans	-62.4	-43.6	177.2	-67.1	-25.7	0	0	0	111.6	E128 E129 R135 H136	E128-N132 VanDerWaalsContact O-CG 3.3Å; E128-N132 PolarHBondContact O-N 3.48Å; E128-N132 PolarHBondContact O-ND2 3.39Å; E129-N132 WeakPolarHBondContact O-CB 3.27Å; E129-N132 PolarHBondContact O-N 3.14Å; E129-N132 VanDerWaalsContact O-N 3.08Å; E129-N132 PolarHBondContact OE2-ND2 2.77Å; N132-R135 PolarHBondContact O-N 2.79Å; N132-R135 PolarHBondContact OD1-NH1 2.83Å; N132-R135 VanDerWaalsContact OD1-NH1 3.1Å; N132-H136 PolarHBondContact O-N 3.01Å; N132-H136 PolarHBondContact O-ND1 2.93Å
133	I	98.9	Very high	98.9	Very high	33 Å²	33	44.2 Å²	44.2	17%	0.169	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-44.8	178.3	-66.6	170.6	0	0	0	110.5	E129 M130 C131 R135 H136 E137 M371 I391 V393	E129-I133 HydrophobicContact CG-CD1 4.11Å; E129-I133 WeakPolarHBondContact O-CG1 3.24Å; E129-I133 PolarHBondContact O-N 3.36Å; M130-I133 PolarHBondContact O-N 2.86Å; C131-I133 VanDerWaalsContact C-N 3.35Å; I133-R135 VanDerWaalsContact C-N 3.31Å; I133-R135 PolarHBondContact O-N 2.82Å; I133-H136 WeakPolarHBondContact O-CB 3.43Å; I133-H136 PolarHBondContact O-N 3.48Å; I133-H136 VanDerWaalsContact O-N 3.1Å; I133-E137 HydrophobicContact CG2-CG 4.46Å; I133-E137 WeakPolarHBondContact O-CG 3.41Å; I133-E137 PolarHBondContact O-N 2.94Å; I133-M371 HydrophobicContact CG2-CE 3.97Å; I133-I391 HydrophobicContact CG2-CG2 3.61Å; I133-V393 HydrophobicContact CD1-CB 4.38Å; I133-V393 HydrophobicContact CD1-CG1 4.12Å; I133-V393 HydrophobicContact CD1-CG2 3.65Å; I133-V393 HydrophobicContact CG2-CG2 4.17Å
134	L	98.9	Very high	98.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.3	-43.1	174.6	-76.1	167.3	0	0	0	112.3	V78 V80 M130 C131 E137 G138 V139 V141 L363 L365 M371	V78-L134 HydrophobicContact CG1-CD1 4.04Å; V80-L134 HydrophobicContact CG2-CD1 3.66Å; M130-L134 HydrophobicContact CE-CD1 4.13Å; M130-L134 HydrophobicContact CG-CD1 4.25Å; M130-L134 WeakPolarHBondContact O-CG 3.46Å; M130-L134 PolarHBondContact O-N 3.05Å; C131-L134 PolarHBondContact O-N 3.43Å; L134-E137 CarbonylContact O-C 3.51Å; L134-E137 PolarHBondContact O-N 2.92Å; L134-G138 PolarHBondContact O-N 2.88Å; L134-V139 HydrophobicContact CB-CB 4.37Å; L134-V139 HydrophobicContact CD2-CG2 4.41Å; L134-V139 WeakPolarHBondContact O-CB 3.29Å; L134-V139 PolarHBondContact O-N 2.88Å; L134-V141 HydrophobicContact CB-CG2 3.6Å; L134-V141 HydrophobicContact CD1-CG2 4.25Å; L134-L363 HydrophobicContact CD2-CD2 4.34Å; L134-L365 HydrophobicContact CD2-CD2 3.7Å; L134-M371 HydrophobicContact CD2-CE 3.7Å; L134-M371 HydrophobicContact CD2-SD 4.49Å; L134-M371 HydrophobicContact CG-CE 3.8Å
135	R	98.8	Very high	98.8	Very high	112 Å²	112	47.4 Å²	47.4	42%	0.423	25%	0.25	S	S	.	.	H	α-helix	trans	-63.5	-39.8	175.1	-68.7	177.7	-164.5	116.7	-0.6	112.2	C131 N132 I133 E137 G138 V141	C131-R135 WeakPolarHBondContact O-CG 3.39Å; C131-R135 PolarHBondContact O-N 2.9Å; N132-R135 PolarHBondContact O-N 2.79Å; N132-R135 PolarHBondContact OD1-NH1 2.83Å; N132-R135 VanDerWaalsContact OD1-NH1 3.1Å; I133-R135 VanDerWaalsContact C-N 3.31Å; I133-R135 PolarHBondContact O-N 2.82Å; R135-E137 VanDerWaalsContact C-N 3.28Å; R135-E137 PolarHBondContact O-N 3.47Å; R135-G138 PolarHBondContact O-N 3.32Å; R135-G138 VanDerWaalsContact O-N 3.1Å; R135-V141 HydrophobicContact CG-CB 4.32Å; R135-V141 HydrophobicContact CG-CG2 3.91Å
136	H	98.7	Very high	98.7	Very high	165 Å²	165	48.2 Å²	48.2	76%	0.764	25%	0.25	S	S	*	.	H	α-helix	trans	-65	-32.4	175	-80.9	74.8	0	0	0	112.5	N132 I133 G138	N132-H136 PolarHBondContact O-N 3.01Å; N132-H136 PolarHBondContact O-ND1 2.93Å; I133-H136 WeakPolarHBondContact O-CB 3.43Å; I133-H136 PolarHBondContact O-N 3.48Å; I133-H136 VanDerWaalsContact O-N 3.1Å; H136-G138 PolarHBondContact O-N 2.92Å
137	E	98.7	Very high	98.7	Very high	54 Å²	54	48.3 Å²	48.3	25%	0.252	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	4.5	174.3	-65.8	-70.5	151.6	0	0	113.2	I133 L134 R135 L365 R369 I391	I133-E137 HydrophobicContact CG2-CG 4.46Å; I133-E137 WeakPolarHBondContact O-CG 3.41Å; I133-E137 PolarHBondContact O-N 2.94Å; L134-E137 CarbonylContact O-C 3.51Å; L134-E137 PolarHBondContact O-N 2.92Å; R135-E137 VanDerWaalsContact C-N 3.28Å; R135-E137 PolarHBondContact O-N 3.47Å; E137-L365 HydrophobicContact CB-CD1 3.69Å; E137-L365 HydrophobicContact CG-CD1 3.74Å; E137-R369 IonicContact OE2-CZ 3.87Å; E137-R369 IonicContact OE2-NH1 2.79Å; E137-R369 PolarHBondContact OE2-NH1 3.17Å; E137-I391 HydrophobicContact CG-CD1 3.97Å
138	G	98.6	Very high	98.6	Very high	61 Å²	61	52.2 Å²	52.2	63%	0.629	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	10.6	175.1	0	0	0	0	0	115	L134 R135 H136	L134-G138 PolarHBondContact O-N 2.88Å; R135-G138 PolarHBondContact O-N 3.32Å; R135-G138 VanDerWaalsContact O-N 3.1Å; H136-G138 PolarHBondContact O-N 2.92Å
139	V	98.9	Very high	98.6	Very high	6 Å²	6	50 Å²	50	4%	0.036	26%	0.261	C	S	.	.			trans	-90.6	133.4	-177.1	-174.1	0	0	0	0	110.9	L75 V78 L134 V141	L75-V139 HydrophobicContact CB-CG2 4.35Å; L75-V139 HydrophobicContact CD2-CG1 3.94Å; L75-V139 HydrophobicContact CD2-CG2 4.11Å; L75-V139 HydrophobicContact CG-CG1 3.87Å; L75-V139 HydrophobicContact CG-CG2 4.15Å; V78-V139 HydrophobicContact CB-CG1 4.12Å; V78-V139 HydrophobicContact CG1-CG1 3.58Å; L134-V139 HydrophobicContact CB-CB 4.37Å; L134-V139 HydrophobicContact CD2-CG2 4.41Å; L134-V139 WeakPolarHBondContact O-CB 3.29Å; L134-V139 PolarHBondContact O-N 2.88Å; V139-V141 PolarHBondContact O-N 3.46Å
140	V	98.9	Very high	98.5	Very high	65 Å²	65	47.7 Å²	47.7	39%	0.394	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	120.2	168.9	178.4	0	0	0	0	109.2	E76 E77 V78	E76-V140 WeakPolarHBondContact O-CB 3.3Å; E76-V140 PolarHBondContact O-N 3.39Å; E77-V140 CarbonylContact C-O 3.16Å; E77-V140 WeakPolarHBondContact CA-O 3.47Å; E77-V140 HydrophobicContact CB-CB 4.06Å; E77-V140 HydrophobicContact CG-CB 3.92Å; E77-V140 HydrophobicContact CG-CG1 3.93Å; V78-V140 PolarHBondContact N-O 3.4Å
141	V	98.9	Very high	98.5	Very high	20 Å²	20	51.7 Å²	51.7	12%	0.121	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.1	-179.1	179.3	0	0	0	0	110.7	V78 V80 C131 L134 R135 V139	V78-V141 HydrophobicContact CG1-CG2 4.17Å; V80-V141 HydrophobicContact CB-CG1 4.24Å; V80-V141 HydrophobicContact CG2-CG1 3.74Å; C131-V141 HydrophobicContact CB-CG1 4.11Å; L134-V141 HydrophobicContact CB-CG2 3.6Å; L134-V141 HydrophobicContact CD1-CG2 4.25Å; R135-V141 HydrophobicContact CG-CB 4.32Å; R135-V141 HydrophobicContact CG-CG2 3.91Å; V139-V141 PolarHBondContact O-N 3.46Å
142	K	98.9	Very high	98.5	Very high	44 Å²	44	56.8 Å²	56.8	19%	0.191	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	153.7	171.1	-64	-73.3	-163.7	157.8	0	110.1	E77 V78 I79 V80 L199 E202 Y203	E77-K142 HydrophobicContact CG-CG 4.45Å; E77-K142 WeakPolarHBondContact OE1-CE 3.34Å; E77-K142 WeakPolarHBondContact OE1-CG 3.43Å; V78-K142 PolarHBondContact O-N 2.97Å; I79-K142 CarbonylContact C-O 3.59Å; I79-K142 WeakPolarHBondContact CA-O 3.46Å; I79-K142 HydrophobicContact CG1-CB 4.2Å; V80-K142 PolarHBondContact N-O 3.48Å; K142-L199 HydrophobicContact CB-CD1 4.06Å; K142-L199 HydrophobicContact CB-CD2 4.02Å; K142-L199 HydrophobicContact CD-CD2 3.97Å; K142-L199 HydrophobicContact CG-CD2 4.32Å; K142-E202 VanDerWaalsContact NZ-CD 3.31Å; K142-E202 IonicContact NZ-OE1 3.13Å; K142-E202 PolarHBondContact NZ-OE1 3.29Å; K142-E202 IonicContact NZ-OE2 3.45Å; K142-E202 PolarHBondContact NZ-OE2 3.15Å; K142-Y203 WeakPolarHBondContact CG-OH 3.49Å
143	R	98.9	Very high	98.5	Very high	30 Å²	30	55.6 Å²	55.6	11%	0.113	30%	0.295	C	S	.	.			trans	-133.2	142.9	-176.7	-53.6	-62.9	-65.5	-70.8	-3.9	109.8	V80 G81 E128 C131 L199	V80-R143 VanDerWaalsContact O-CD 3.23Å; V80-R143 WeakPolarHBondContact O-CD 3.42Å; V80-R143 PolarHBondContact O-NE 3.23Å; G81-R143 PolarHBondContact O-NE 3.26Å; G81-R143 PolarHBondContact O-NH2 3.32Å; E128-R143 VanDerWaalsContact CD-NH1 3.31Å; E128-R143 IonicContact OE1-CZ 3.43Å; E128-R143 IonicContact OE1-NH1 2.84Å; E128-R143 PolarHBondContact OE1-NH1 3.18Å; E128-R143 IonicContact OE1-NH2 3.84Å; E128-R143 PolarHBondContact OE1-NH2 2.84Å; E128-R143 VanDerWaalsContact OE1-NH2 3.1Å; E128-R143 IonicContact OE2-NH1 2.83Å; E128-R143 PolarHBondContact OE2-NH1 3.05Å; C131-R143 PolarHBondContact SG-NH1 3.05Å; C131-R143 VanDerWaalsContact SG-NH1 3.42Å; R143-L199 WeakPolarHBondContact O-CD1 3.33Å
144	P	98.6	Very high	98.5	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.013	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-62.7	162.1	171.5	25.2	-30.4	0	0	0	111.4	V80 R82 A165 A195 Y196	V80-P144 WeakPolarHBondContact O-CD 3.5Å; R82-P144 HydrophobicContact CB-CG 4.25Å; R82-P144 WeakPolarHBondContact CD-O 3.16Å; R82-P144 HydrophobicContact CG-CG 3.99Å; R82-P144 PolarHBondContact NE-O 3.2Å; P144-A165 HydrophobicContact CB-CB 4.24Å; P144-A165 HydrophobicContact CG-CB 4.11Å; P144-A195 WeakPolarHBondContact CA-O 3.45Å; P144-A195 HydrophobicContact CB-CB 3.83Å; P144-Y196 HydrophobicContact CB-CD1 3.84Å; P144-Y196 HydrophobicContact CB-CE1 3.66Å; P144-Y196 HydrophobicContact CG-CE1 3.92Å
145	E	97.9	Very high	98.5	Very high	103 Å²	103	62.7 Å²	62.7	48%	0.481	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-66.6	143.3	171.4	-73.5	-61.5	150.1	0	0	111.3	I147 A195 P198	E145-I147 PolarHBondContact O-N 3.16Å; E145-A195 PolarHBondContact N-O 3.01Å; E145-P198 HydrophobicContact CG-CB 4.38Å; E145-P198 HydrophobicContact CG-CG 3.68Å
146	P	97.6	Very high	98.5	Very high	79 Å²	79	63.6 Å²	63.6	51%	0.513	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-59.7	128.1	164.9	-19.4	32.5	0	0	0	110.4
147	I	97.6	Very high	98.5	Very high	22 Å²	22	59.2 Å²	59.2	11%	0.113	33%	0.329	C	S	.	.			trans	-125.7	147.2	176.1	-70.4	-169.7	0	0	0	108.8	N85 E145 W149 R194 A195	N85-I147 WeakPolarHBondContact CB-O 3.32Å; N85-I147 PolarHBondContact ND2-O 3.02Å; E145-I147 PolarHBondContact O-N 3.16Å; I147-W149 HydrophobicContact CB-CD2 4.25Å; I147-W149 HydrophobicContact CB-CH2 4.14Å; I147-W149 HydrophobicContact CB-CZ2 3.65Å; I147-W149 HydrophobicContact CD1-CH2 3.95Å; I147-W149 HydrophobicContact CD1-CZ2 4.15Å; I147-W149 HydrophobicContact CG1-CZ2 4.27Å; I147-W149 HydrophobicContact CG2-CD2 3.82Å; I147-W149 HydrophobicContact CG2-CE3 3.89Å; I147-W149 HydrophobicContact CG2-CG 4.45Å; I147-W149 HydrophobicContact CG2-CH2 4.03Å; I147-W149 HydrophobicContact CG2-CZ2 3.91Å; I147-W149 HydrophobicContact CG2-CZ3 4Å; I147-W149 PolarHBondContact O-N 3.01Å; I147-R194 HydrophobicContact CD1-CB 3.85Å; I147-A195 HydrophobicContact CD1-CB 3.71Å; I147-A195 HydrophobicContact CG1-CB 4.29Å
148	D	97.9	Very high	98.5	Very high	82 Å²	82	57.4 Å²	57.4	44%	0.439	32%	0.32	S	S	.	.			trans	-82	106.1	164.5	179.5	8.5	0	0	0	109.5	S150 V151	D148-S150 VanDerWaalsContact C-N 3.29Å; D148-S150 VanDerWaalsContact CG-OG 3.23Å; D148-S150 WeakPolarHBondContact OD1-CB 3.5Å; D148-S150 PolarHBondContact OD1-N 2.59Å; D148-S150 PolarHBondContact OD1-OG 3.39Å; D148-S150 PolarHBondContact OD2-OG 2.94Å; D148-V151 HydrophobicContact CB-CG2 4.11Å
149	W	98.5	Very high	98.5	Very high	15 Å²	15	60.2 Å²	60.2	6%	0.057	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-4.4	-179.6	-57.2	106.2	0	0	0	113.3	H87 I147 V151 G162 M163 A165 E192 A195	H87-W149 HydrophobicContact CB-CB 4.22Å; I147-W149 HydrophobicContact CB-CD2 4.25Å; I147-W149 HydrophobicContact CB-CH2 4.14Å; I147-W149 HydrophobicContact CB-CZ2 3.65Å; I147-W149 HydrophobicContact CD1-CH2 3.95Å; I147-W149 HydrophobicContact CD1-CZ2 4.15Å; I147-W149 HydrophobicContact CG1-CZ2 4.27Å; I147-W149 HydrophobicContact CG2-CD2 3.82Å; I147-W149 HydrophobicContact CG2-CE3 3.89Å; I147-W149 HydrophobicContact CG2-CG 4.45Å; I147-W149 HydrophobicContact CG2-CH2 4.03Å; I147-W149 HydrophobicContact CG2-CZ2 3.91Å; I147-W149 HydrophobicContact CG2-CZ3 4Å; I147-W149 PolarHBondContact O-N 3.01Å; W149-V151 PolarHBondContact O-N 2.71Å; W149-G162 CarbonylContact O-C 3.57Å; W149-G162 VanDerWaalsContact O-CA 3.22Å; W149-G162 WeakPolarHBondContact O-CA 3.49Å; W149-G162 PolarHBondContact O-N 3.05Å; W149-M163 WeakPolarHBondContact CB-O 3.21Å; W149-A165 HydrophobicContact CH2-CB 4.21Å; W149-A165 HydrophobicContact CZ2-CB 3.52Å; W149-E192 HydrophobicContact CH2-CG 4.39Å; W149-A195 HydrophobicContact CH2-CB 4.06Å; W149-A195 HydrophobicContact CZ2-CB 4.01Å
150	S	97.6	Very high	98.5	Very high	49 Å²	49	60.3 Å²	60.3	34%	0.343	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-20.3	173.9	78.5	0	0	0	0	112.7	H87 D148 E152	H87-S150 WeakPolarHBondContact NE2-CB 3.24Å; D148-S150 VanDerWaalsContact C-N 3.29Å; D148-S150 VanDerWaalsContact CG-OG 3.23Å; D148-S150 WeakPolarHBondContact OD1-CB 3.5Å; D148-S150 PolarHBondContact OD1-N 2.59Å; D148-S150 PolarHBondContact OD1-OG 3.39Å; D148-S150 PolarHBondContact OD2-OG 2.94Å; S150-E152 PolarHBondContact O-N 3.26Å; S150-E152 VanDerWaalsContact O-N 3.12Å
151	V	98.1	Very high	98.5	Very high	84 Å²	84	58 Å²	58	51%	0.509	30%	0.302	S	S	.	.			trans	-59.6	118.8	-176.5	179.2	0	0	0	0	109.9	D148 W149	D148-V151 HydrophobicContact CB-CG2 4.11Å; W149-V151 PolarHBondContact O-N 2.71Å
152	E	98.5	Very high	98.4	Very high	107 Å²	107	57.2 Å²	57.2	50%	0.5	30%	0.298	S	S	.	.			trans	-76.9	132.8	173.8	-166.4	-178.1	59	0	0	110.1	S150 K159 S160 T161	S150-E152 PolarHBondContact O-N 3.26Å; S150-E152 VanDerWaalsContact O-N 3.12Å; E152-K159 HydrophobicContact CG-CD 4.48Å; E152-K159 HydrophobicContact CG-CG 4.07Å; E152-K159 WeakPolarHBondContact OE1-CE 3.46Å; E152-K159 IonicContact OE1-NZ 2.9Å; E152-K159 PolarHBondContact OE1-NZ 2.85Å; E152-K159 WeakPolarHBondContact OE2-CE 3.48Å; E152-K159 IonicContact OE2-NZ 3.91Å; E152-K159 PolarHBondContact OE2-NZ 2.9Å; E152-S160 WeakPolarHBondContact CA-O 3.38Å; E152-T161 HydrophobicContact CB-CG2 4.31Å
153	Y	98.7	Very high	98.4	Very high	34 Å²	34	55.2 Å²	55.2	13%	0.133	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	158.7	175.7	53.4	-92.5	0	0	0	110.7	F158 K159 S160 T161 R187 A188 F190 F191	Y153-F158 HydrophobicContact CD2-CE2 4.39Å; Y153-F158 AromaticContact CE2-CE2 3.74Å; Y153-F158 HydrophobicContact CE2-CE2 3.74Å; Y153-F158 HydrophobicContact CE2-CZ 4.2Å; Y153-K159 WeakPolarHBondContact O-CA 3.45Å; Y153-S160 WeakPolarHBondContact CD1-O 3.41Å; Y153-S160 PolarHBondContact N-O 3.33Å; Y153-S160 PolarHBondContact O-N 2.82Å; Y153-T161 VanDerWaalsContact CE1-C 3.49Å; Y153-T161 WeakPolarHBondContact CE1-O 3.43Å; Y153-T161 PolarHBondContact OH-O 3.21Å; Y153-R187 PolarHBondContact OH-O 2.88Å; Y153-A188 VanDerWaalsContact OH-CA 3.25Å; Y153-A188 WeakPolarHBondContact OH-CA 3.27Å; Y153-A188 PolarHBondContact OH-O 2.88Å; Y153-A188 VanDerWaalsContact OH-O 3.08Å; Y153-F190 HydrophobicContact CE2-CB 4.06Å; Y153-F191 AromaticContact CD1-CD2 3.98Å; Y153-F191 HydrophobicContact CD1-CD2 3.98Å; Y153-F191 AromaticContact CD2-CD2 3.52Å; Y153-F191 HydrophobicContact CD2-CD2 3.52Å; Y153-F191 AromaticContact CD2-CE2 3.54Å; Y153-F191 HydrophobicContact CD2-CE2 3.54Å; Y153-F191 HydrophobicContact CE1-CD2 4.23Å; Y153-F191 AromaticContact CE2-CD2 3.76Å; Y153-F191 HydrophobicContact CE2-CD2 3.76Å; Y153-F191 HydrophobicContact CE2-CE2 4.1Å; Y153-F191 AromaticContact CG-CD2 3.61Å; Y153-F191 HydrophobicContact CG-CD2 3.61Å; Y153-F191 AromaticContact CG-CE2 3.81Å; Y153-F191 HydrophobicContact CG-CE2 3.81Å
154	K	98.8	Very high	98.4	Very high	166 Å²	166	54 Å²	54	72%	0.722	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	124.4	-178.9	178.7	174.9	178.5	-178.3	0	109.4	F158 K159	K154-F158 WeakPolarHBondContact CA-O 3.27Å; K154-K159 HydrophobicContact CB-CG 4.45Å
155	T	98.8	Very high	98.4	Very high	16 Å²	16	54 Å²	54	10%	0.098	29%	0.285	C	S	.	.			trans	-94.1	175.2	163.9	71.3	0	0	0	0	108.5	D157 F158 F190	T155-D157 PolarHBondContact O-N 3.39Å; T155-D157 PolarHBondContact OG1-N 2.81Å; T155-D157 VanDerWaalsContact OG1-N 3.15Å; T155-F158 HydrophobicContact CG2-CD1 4.31Å; T155-F158 HydrophobicContact CG2-CE1 3.72Å; T155-F158 HydrophobicContact CG2-CZ 3.84Å; T155-F158 PolarHBondContact N-O 2.87Å; T155-F158 WeakPolarHBondContact OG1-CD1 3.33Å; T155-F158 WeakPolarHBondContact OG1-CE1 3.29Å; T155-F158 PolarHBondContact OG1-N 2.77Å; T155-F158 PolarHBondContact OG1-O 3.33Å; T155-F190 HydrophobicContact CG2-CE1 4.3Å; T155-F190 HydrophobicContact CG2-CE2 4.48Å; T155-F190 HydrophobicContact CG2-CZ 4.25Å
156	P	98.8	Very high	98.5	Very high	132 Å²	132	49 Å²	49	86%	0.857	26%	0.262	S	S	*	.	S	Bend	trans	-57.5	-27.5	167.7	-26.6	37.8	0	0	0	113.6
157	D	98.8	Very high	98.5	Very high	73 Å²	73	45.3 Å²	45.3	39%	0.39	24%	0.237	S	C	.	.	S	Bend	trans	-99.5	-29.3	-169	-47.1	-77.9	0	0	0	113.8	T155 A219	T155-D157 PolarHBondContact O-N 3.39Å; T155-D157 PolarHBondContact OG1-N 2.81Å; T155-D157 VanDerWaalsContact OG1-N 3.15Å; D157-A219 HydrophobicContact CB-CB 4.17Å
158	F	98.8	Very high	98.6	Very high	15 Å²	15	44.3 Å²	44.3	7%	0.066	23%	0.232	C	C	.	.			trans	-156	172.9	-178	71.7	-88.6	0	0	0	113.9	Y153 K154 T155 R187 F190 T217 M218	Y153-F158 HydrophobicContact CD2-CE2 4.39Å; Y153-F158 AromaticContact CE2-CE2 3.74Å; Y153-F158 HydrophobicContact CE2-CE2 3.74Å; Y153-F158 HydrophobicContact CE2-CZ 4.2Å; K154-F158 WeakPolarHBondContact CA-O 3.27Å; T155-F158 HydrophobicContact CG2-CD1 4.31Å; T155-F158 HydrophobicContact CG2-CE1 3.72Å; T155-F158 HydrophobicContact CG2-CZ 3.84Å; T155-F158 PolarHBondContact N-O 2.87Å; T155-F158 WeakPolarHBondContact OG1-CD1 3.33Å; T155-F158 WeakPolarHBondContact OG1-CE1 3.29Å; T155-F158 PolarHBondContact OG1-N 2.77Å; T155-F158 PolarHBondContact OG1-O 3.33Å; F158-R187 HydrophobicContact CB-CG 4.49Å; F158-R187 HydrophobicContact CD1-CG 4.09Å; F158-R187 HydrophobicContact CD2-CB 3.71Å; F158-R187 HydrophobicContact CD2-CG 3.67Å; F158-R187 HydrophobicContact CE1-CG 4.24Å; F158-R187 HydrophobicContact CE2-CB 3.56Å; F158-R187 HydrophobicContact CE2-CG 3.81Å; F158-R187 HydrophobicContact CG-CB 4.38Å; F158-R187 HydrophobicContact CG-CG 3.83Å; F158-R187 HydrophobicContact CZ-CB 4.14Å; F158-R187 HydrophobicContact CZ-CG 4.11Å; F158-F190 AromaticContact CE1-CD2 3.88Å; F158-F190 HydrophobicContact CE1-CD2 3.88Å; F158-F190 HydrophobicContact CE1-CE2 4.21Å; F158-F190 HydrophobicContact CZ-CB 3.88Å; F158-F190 AromaticContact CZ-CD2 3.65Å; F158-F190 HydrophobicContact CZ-CD2 3.65Å; F158-F190 HydrophobicContact CZ-CE2 4.36Å; F158-F190 AromaticContact CZ-CG 3.88Å; F158-F190 HydrophobicContact CZ-CG 3.88Å; F158-T217 WeakPolarHBondContact CE1-O 3.43Å; F158-M218 HydrophobicContact CD1-CB 4.1Å; F158-M218 HydrophobicContact CE1-CB 3.79Å; F158-M218 HydrophobicContact CZ-SD 4.47Å
159	K	98.7	Very high	98.6	Very high	120 Å²	120	40.7 Å²	40.7	52%	0.522	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.1	174	-169.4	-178	-164.3	-135.8	0	109.3	E152 Y153 K154	E152-K159 HydrophobicContact CG-CD 4.48Å; E152-K159 HydrophobicContact CG-CG 4.07Å; E152-K159 WeakPolarHBondContact OE1-CE 3.46Å; E152-K159 IonicContact OE1-NZ 2.9Å; E152-K159 PolarHBondContact OE1-NZ 2.85Å; E152-K159 WeakPolarHBondContact OE2-CE 3.48Å; E152-K159 IonicContact OE2-NZ 3.91Å; E152-K159 PolarHBondContact OE2-NZ 2.9Å; Y153-K159 WeakPolarHBondContact O-CA 3.45Å; K154-K159 HydrophobicContact CB-CG 4.45Å
160	S	98.8	Very high	98.7	Very high	8 Å²	8	40.1 Å²	40.1	6%	0.056	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	161	179.3	-170.7	0	0	0	0	111.3	E152 Y153 A188	E152-S160 WeakPolarHBondContact CA-O 3.38Å; Y153-S160 WeakPolarHBondContact CD1-O 3.41Å; Y153-S160 PolarHBondContact N-O 3.33Å; Y153-S160 PolarHBondContact O-N 2.82Å; S160-A188 WeakPolarHBondContact OG-CA 3.47Å
161	T	98.6	Very high	98.7	Very high	17 Å²	17	37.8 Å²	37.8	10%	0.104	19%	0.194	C	C	.	.			trans	-86.9	172.4	157	56.8	0	0	0	0	110.3	E152 Y153 A188	E152-T161 HydrophobicContact CB-CG2 4.31Å; Y153-T161 VanDerWaalsContact CE1-C 3.49Å; Y153-T161 WeakPolarHBondContact CE1-O 3.43Å; Y153-T161 PolarHBondContact OH-O 3.21Å; T161-A188 WeakPolarHBondContact O-CA 3.47Å
162	G	98.4	Very high	98.8	Very high	3 Å²	3	33.8 Å²	33.8	3%	0.031	17%	0.17	C	C	.	.			trans	-77.8	-174.8	172.9	0	0	0	0	0	113.3	W149 A188	W149-G162 CarbonylContact O-C 3.57Å; W149-G162 VanDerWaalsContact O-CA 3.22Å; W149-G162 WeakPolarHBondContact O-CA 3.49Å; W149-G162 PolarHBondContact O-N 3.05Å; G162-A188 CarbonylContact C-O 3.52Å; G162-A188 WeakPolarHBondContact CA-O 3.29Å
163	M	98.5	Very high	98.8	Very high	2 Å²	2	29 Å²	29	1%	0.01	15%	0.148	C	C	.	.			trans	-124.3	-77.3	176.2	-163	-178.1	170.5	0	0	110.6	A86 H87 P89 W149 W186 A188 R189 M353	A86-M163 CarbonylContact C-O 3.6Å; A86-M163 WeakPolarHBondContact CA-O 3.3Å; H87-M163 PolarHBondContact N-O 2.92Å; P89-M163 HydrophobicContact CB-CG 4.45Å; P89-M163 HydrophobicContact CG-CE 4.35Å; P89-M163 HydrophobicContact CG-CG 4.47Å; P89-M163 HydrophobicContact CG-SD 4.43Å; W149-M163 WeakPolarHBondContact CB-O 3.21Å; M163-W186 HydrophobicContact CE-CE3 4.32Å; M163-W186 HydrophobicContact CE-CZ3 3.65Å; M163-W186 HydrophobicContact SD-CE3 3.84Å; M163-W186 HydrophobicContact SD-CZ3 3.79Å; M163-A188 HydrophobicContact CB-CB 4.34Å; M163-A188 PolarHBondContact N-O 2.92Å; M163-R189 HydrophobicContact CB-CG 4.38Å; M163-R189 HydrophobicContact SD-CG 3.85Å; M163-M353 HydrophobicContact CE-CE 3.36Å; M163-M353 HydrophobicContact CE-SD 3.14Å; M163-M353 WeakPolarHBondContact CE-SD 3.22Å
164	Y	98.8	Very high	98.8	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.016	14%	0.141	C	C	.	.			trans	-176.4	175.1	-173.6	59.7	161.1	0	0	0	111.7	A86 A166 M167 E192 M353 L401	A86-Y164 HydrophobicContact CB-CD1 4.47Å; Y164-A166 HydrophobicContact CD1-CB 3.19Å; Y164-A166 HydrophobicContact CE1-CB 3.45Å; Y164-A166 VanDerWaalsContact CE1-CB 3.45Å; Y164-A166 HydrophobicContact CG-CB 4.11Å; Y164-M167 HydrophobicContact CE1-CE 4.21Å; Y164-M167 HydrophobicContact CE1-CG 4.18Å; Y164-E192 WeakPolarHBondContact O-CG 3.31Å; Y164-M353 HydrophobicContact CE1-CE 4.46Å; Y164-L401 HydrophobicContact CE1-CB 4.04Å; Y164-L401 WeakPolarHBondContact CE1-O 3.23Å; Y164-L401 PolarHBondContact OH-O 2.8Å
165	A	98.7	Very high	98.8	Very high	2 Å²	2	19.8 Å²	19.8	2%	0.017	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-125.4	45.1	166.2	0	0	0	0	0	111.1	G81 R82 P144 W149 A195 Y196	G81-A165 CarbonylContact C-O 3.21Å; G81-A165 VanDerWaalsContact CA-O 3.29Å; G81-A165 WeakPolarHBondContact CA-O 3.46Å; R82-A165 PolarHBondContact N-O 3.36Å; R82-A165 CarbonylContact O-C 3.42Å; P144-A165 HydrophobicContact CB-CB 4.24Å; P144-A165 HydrophobicContact CG-CB 4.11Å; W149-A165 HydrophobicContact CH2-CB 4.21Å; W149-A165 HydrophobicContact CZ2-CB 3.52Å; A165-A195 HydrophobicContact CB-CB 3.71Å; A165-Y196 HydrophobicContact CB-CE2 4.2Å; A165-Y196 PolarHBondContact O-OH 2.98Å
166	A	98.8	Very high	98.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-80.4	-32.2	178.2	0	0	0	0	0	113	G81 R82 Y164 P168 W408	G81-A166 WeakPolarHBondContact CA-O 3.47Å; R82-A166 WeakPolarHBondContact O-CA 3.48Å; R82-A166 WeakPolarHBondContact O-CB 3.42Å; R82-A166 PolarHBondContact O-N 3.23Å; Y164-A166 HydrophobicContact CD1-CB 3.19Å; Y164-A166 HydrophobicContact CE1-CB 3.45Å; Y164-A166 VanDerWaalsContact CE1-CB 3.45Å; Y164-A166 HydrophobicContact CG-CB 4.11Å; A166-P168 VanDerWaalsContact C-CD 3.45Å; A166-P168 WeakPolarHBondContact O-CD 3.37Å; A166-W408 HydrophobicContact CB-CE3 4.17Å; A166-W408 HydrophobicContact CB-CH2 3.51Å; A166-W408 HydrophobicContact CB-CZ2 3.96Å; A166-W408 HydrophobicContact CB-CZ3 3.62Å
167	M	98.9	Very high	98.8	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.081	C	C	.	.			trans	-113.4	77.1	-170.3	-52.2	-52.9	172	0	0	110.6	Y164 R169 D170 L401 G403 C407 W408	Y164-M167 HydrophobicContact CE1-CE 4.21Å; Y164-M167 HydrophobicContact CE1-CG 4.18Å; M167-R169 PolarHBondContact O-N 3.09Å; M167-R169 VanDerWaalsContact O-N 3.17Å; M167-D170 HydrophobicContact CB-CB 4.23Å; M167-D170 WeakPolarHBondContact CB-OD1 3.41Å; M167-D170 WeakPolarHBondContact CB-OD2 3.48Å; M167-D170 WeakPolarHBondContact O-CB 3.34Å; M167-D170 PolarHBondContact O-N 2.99Å; M167-D170 VanDerWaalsContact O-N 3.11Å; M167-L401 HydrophobicContact CE-CB 4.07Å; M167-L401 WeakPolarHBondContact CE-O 3.2Å; M167-G403 VanDerWaalsContact CE-N 3.27Å; M167-C407 CarbonylContact C-O 3.45Å; M167-C407 VanDerWaalsContact CA-O 3.25Å; M167-C407 WeakPolarHBondContact CA-O 3.12Å; M167-C407 HydrophobicContact CG-CB 4.44Å; M167-C407 HydrophobicContact SD-CB 3.67Å; M167-W408 HydrophobicContact CE-CD2 4.36Å; M167-W408 HydrophobicContact CE-CZ2 4.01Å; M167-W408 HydrophobicContact SD-CD2 4.14Å; M167-W408 HydrophobicContact SD-CG 4.02Å
168	P	98.9	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-56.7	-29.8	177.4	25.3	-35.7	0	0	0	112.3	I79 A166 D170 I171 L172 Y196 C407 W408 T410	I79-P168 HydrophobicContact CG2-CB 3.96Å; I79-P168 HydrophobicContact CG2-CG 4.31Å; A166-P168 VanDerWaalsContact C-CD 3.45Å; A166-P168 WeakPolarHBondContact O-CD 3.37Å; P168-D170 PolarHBondContact O-N 2.9Å; P168-I171 PolarHBondContact O-N 3.05Å; P168-L172 WeakPolarHBondContact O-CB 3.4Å; P168-L172 PolarHBondContact O-N 3.24Å; P168-Y196 WeakPolarHBondContact CA-OH 3.49Å; P168-Y196 HydrophobicContact CB-CE1 3.77Å; P168-C407 WeakPolarHBondContact CD-O 3.47Å; P168-W408 WeakPolarHBondContact CD-O 3.4Å; P168-W408 WeakPolarHBondContact CG-O 3.41Å; P168-T410 WeakPolarHBondContact CB-OG1 3.32Å; P168-T410 PolarHBondContact O-OG1 3.31Å; P168-T410 VanDerWaalsContact O-OG1 3.09Å
169	R	98.9	Very high	98.8	Very high	7 Å²	7	12.3 Å²	12.3	3%	0.026	6%	0.061	C	C	.	.	H	α-helix	trans	-58.5	-32	177.4	-169.3	58.7	61	173.9	-0.5	113.6	E71 M167 I171 A255 A256 H406 C407 T409 T410 D411	E71-R169 IonicContact OE2-NH1 2.88Å; M167-R169 PolarHBondContact O-N 3.09Å; M167-R169 VanDerWaalsContact O-N 3.17Å; R169-I171 VanDerWaalsContact C-N 3.28Å; R169-I171 PolarHBondContact O-N 2.68Å; R169-A255 CarbonylContact O-C 3.57Å; R169-A255 VanDerWaalsContact O-CB 3.24Å; R169-A255 WeakPolarHBondContact O-CB 3.37Å; R169-A256 HydrophobicContact CG-CB 3.93Å; R169-A256 PolarHBondContact O-N 2.79Å; R169-H406 WeakPolarHBondContact CB-O 3.33Å; R169-H406 VanDerWaalsContact CD-CE1 3.41Å; R169-H406 WeakPolarHBondContact CD-CE1 3.48Å; R169-H406 PolarHBondContact NE-CE1 3.09Å; R169-H406 PolarHBondContact NE-O 2.83Å; R169-C407 WeakPolarHBondContact CB-O 3.24Å; R169-C407 PolarHBondContact N-O 2.82Å; R169-T409 WeakPolarHBondContact CB-O 3.44Å; R169-T409 VanDerWaalsContact CZ-O 3.22Å; R169-T409 PolarHBondContact NE-O 3.27Å; R169-T409 PolarHBondContact NH2-O 2.79Å; R169-T410 PolarHBondContact N-OG1 3.21Å; R169-D411 IonicContact CZ-OD1 3.26Å; R169-D411 VanDerWaalsContact CZ-OD1 3.25Å; R169-D411 IonicContact NH1-OD1 2.91Å; R169-D411 PolarHBondContact NH1-OD1 2.9Å; R169-D411 IonicContact NH2-OD1 3.32Å; R169-D411 PolarHBondContact NH2-OD1 3.42Å
170	D	98.9	Very high	98.8	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.011	4%	0.037	C	C	.	.	H	α-helix	trans	-71.3	-29.6	-176.3	-61.3	4.7	0	0	0	111.7	M167 P168 M184 R189 D254 A255 H303	M167-D170 HydrophobicContact CB-CB 4.23Å; M167-D170 WeakPolarHBondContact CB-OD1 3.41Å; M167-D170 WeakPolarHBondContact CB-OD2 3.48Å; M167-D170 WeakPolarHBondContact O-CB 3.34Å; M167-D170 PolarHBondContact O-N 2.99Å; M167-D170 VanDerWaalsContact O-N 3.11Å; P168-D170 PolarHBondContact O-N 2.9Å; D170-M184 HydrophobicContact CB-CE 4.14Å; D170-R189 IonicContact OD2-CZ 3.2Å; D170-R189 VanDerWaalsContact OD2-CZ 3.24Å; D170-R189 IonicContact OD2-NH1 3.25Å; D170-R189 PolarHBondContact OD2-NH1 2.89Å; D170-R189 IonicContact OD2-NH2 3.94Å; D170-R189 PolarHBondContact OD2-NH2 2.75Å; D170-D254 CarbonylContact O-C 3.53Å; D170-D254 WeakPolarHBondContact O-CA 3.48Å; D170-A255 PolarHBondContact O-N 3.48Å; D170-H303 IonicContact OD1-CE1 2.88Å; D170-H303 PolarHBondContact OD1-CE1 2.73Å; D170-H303 VanDerWaalsContact OD1-CE1 3.31Å; D170-H303 IonicContact OD1-ND1 2.71Å; D170-H303 IonicContact OD1-NE2 3.32Å; D170-H303 IonicContact OD2-CE1 3.54Å; D170-H303 PolarHBondContact OD2-CE1 2.79Å
171	I	98.9	Very high	98.8	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-113.5	-24.2	-172.7	-173.8	165.2	0	0	0	113.9	P168 R169 E181 A182 M184 E192 Y196	P168-I171 PolarHBondContact O-N 3.05Å; R169-I171 VanDerWaalsContact C-N 3.28Å; R169-I171 PolarHBondContact O-N 2.68Å; I171-E181 CarbonylContact O-C 3.47Å; I171-E181 WeakPolarHBondContact O-CA 3.11Å; I171-A182 PolarHBondContact O-N 3.37Å; I171-M184 HydrophobicContact CB-CE 4.25Å; I171-M184 HydrophobicContact CB-SD 3.67Å; I171-M184 HydrophobicContact CD1-CG 4.32Å; I171-M184 HydrophobicContact CD1-SD 4.1Å; I171-M184 HydrophobicContact CG1-CG 4.48Å; I171-M184 HydrophobicContact CG1-SD 3.71Å; I171-E192 HydrophobicContact CD1-CB 3.77Å; I171-E192 HydrophobicContact CD1-CG 3.91Å; I171-Y196 HydrophobicContact CG2-CD2 4.1Å; I171-Y196 HydrophobicContact CG2-CE2 3.52Å
172	L	98.9	Very high	98.8	Very high	1 Å²	1	6 Å²	6	1%	0.005	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128	-178.3	-56.4	176.9	0	0	0	111	I79 P168 I179 I180 E181 Y196 I200 T410	I79-L172 HydrophobicContact CD1-CD1 3.81Å; P168-L172 WeakPolarHBondContact O-CB 3.4Å; P168-L172 PolarHBondContact O-N 3.24Å; L172-I179 HydrophobicContact CD1-CD1 4.31Å; L172-I179 HydrophobicContact CD2-CD1 4.47Å; L172-I179 HydrophobicContact CD2-CG1 4.49Å; L172-I180 WeakPolarHBondContact CA-O 3.41Å; L172-E181 HydrophobicContact CD2-CG 3.92Å; L172-Y196 HydrophobicContact CD1-CD1 3.65Å; L172-Y196 HydrophobicContact CD1-CD2 4.47Å; L172-Y196 HydrophobicContact CD1-CE1 4.19Å; L172-Y196 HydrophobicContact CD1-CG 3.81Å; L172-Y196 HydrophobicContact CG-CG 4.5Å; L172-I200 HydrophobicContact CD2-CD1 3.85Å; L172-T410 HydrophobicContact CB-CG2 3.97Å; L172-T410 PolarHBondContact O-OG1 3.13Å
173	M	98.7	Very high	98.8	Very high	6 Å²	6	5.9 Å²	5.9	3%	0.03	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.1	166.4	-172.9	167.4	57.3	0	0	110.2	V175 I180 A255 F258 R260 L265 M281	M173-V175 HydrophobicContact CE-CG2 4Å; M173-V175 HydrophobicContact CG-CG2 4.04Å; M173-V175 HydrophobicContact SD-CG2 4.26Å; M173-I180 PolarHBondContact N-O 3.4Å; M173-I180 VanDerWaalsContact N-O 3.07Å; M173-I180 PolarHBondContact O-N 3.46Å; M173-A255 HydrophobicContact CB-CB 3.97Å; M173-F258 HydrophobicContact CE-CB 4.34Å; M173-F258 HydrophobicContact CE-CG 4.35Å; M173-F258 HydrophobicContact SD-CB 3.72Å; M173-F258 HydrophobicContact SD-CG 4.35Å; M173-R260 HydrophobicContact SD-CG 4.37Å; M173-L265 HydrophobicContact CE-CD2 4.11Å; M173-L265 HydrophobicContact SD-CD2 4.11Å; M173-M281 HydrophobicContact CE-CE 3.21Å; M173-M281 HydrophobicContact CE-SD 4.19Å
174	V	98.9	Very high	98.8	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.006	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.7	172.2	174.7	0	0	0	0	109.6	V66 G176 E178 I179 R260 T410	V66-V174 HydrophobicContact CG1-CB 4.45Å; V66-V174 HydrophobicContact CG1-CG1 3.48Å; V66-V174 VanDerWaalsContact CG1-CG1 3.48Å; V66-V174 HydrophobicContact CG1-CG2 4.12Å; V174-G176 WeakPolarHBondContact CG1-O 3.25Å; V174-E178 CarbonylContact C-O 3.52Å; V174-E178 VanDerWaalsContact CA-O 3.29Å; V174-E178 WeakPolarHBondContact CA-O 3.31Å; V174-I179 HydrophobicContact CG2-CB 4.28Å; V174-I179 HydrophobicContact CG2-CD1 4.3Å; V174-I179 HydrophobicContact CG2-CG1 4.14Å; V174-R260 WeakPolarHBondContact O-CD 3.35Å; V174-R260 PolarHBondContact O-NH1 3.39Å; V174-T410 HydrophobicContact CG2-CG2 4.23Å
175	V	98.8	Very high	98.9	Very high	6 Å²	6	5.6 Å²	5.6	4%	0.036	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	102	177.3	-176.5	0	0	0	0	108.4	M173 N177 E178 I180 L265 L285 Y289	M173-V175 HydrophobicContact CE-CG2 4Å; M173-V175 HydrophobicContact CG-CG2 4.04Å; M173-V175 HydrophobicContact SD-CG2 4.26Å; V175-N177 PolarHBondContact O-N 3.07Å; V175-E178 PolarHBondContact N-O 3.04Å; V175-E178 WeakPolarHBondContact O-CB 3.42Å; V175-E178 PolarHBondContact O-N 3.2Å; V175-I180 HydrophobicContact CG2-CD1 4.26Å; V175-L265 HydrophobicContact CG2-CD2 4.21Å; V175-L285 HydrophobicContact CB-CD2 4.33Å; V175-L285 HydrophobicContact CG1-CD1 4.26Å; V175-L285 HydrophobicContact CG1-CD2 4.02Å; V175-L285 HydrophobicContact CG2-CD1 4.3Å; V175-Y289 HydrophobicContact CG1-CD1 3.87Å; V175-Y289 HydrophobicContact CG1-CD2 3.93Å; V175-Y289 HydrophobicContact CG1-CE1 3.52Å; V175-Y289 HydrophobicContact CG1-CE2 3.6Å; V175-Y289 HydrophobicContact CG1-CG 4.07Å
176	G	98.6	Very high	98.9	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.01	3%	0.03	C	C	.	.	B	Isolated β-bridge	trans	61.3	-126.7	-169.4	0	0	0	0	0	110.8	C67 S68 V174 E178	C67-G176 CarbonylContact C-O 3.38Å; C67-G176 WeakPolarHBondContact CA-O 3.45Å; S68-G176 PolarHBondContact N-O 3.43Å; S68-G176 PolarHBondContact O-N 2.88Å; V174-G176 WeakPolarHBondContact CG1-O 3.25Å; G176-E178 VanDerWaalsContact C-N 3.29Å; G176-E178 PolarHBondContact O-N 2.64Å
177	N	98.7	Very high	98.9	Very high	69 Å²	69	7 Å²	7	37%	0.369	4%	0.035	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	15	178.6	68.6	-27.9	0	0	0	114.4	V66 V175 K209	V66-N177 VanDerWaalsContact O-CA 3.3Å; V66-N177 WeakPolarHBondContact O-CA 3.3Å; V175-N177 PolarHBondContact O-N 3.07Å; N177-K209 PolarHBondContact O-N 3.2Å
178	E	98.9	Very high	98.9	Very high	8 Å²	8	7.2 Å²	7.2	4%	0.037	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.2	-178	-172.5	173.2	168.8	0	0	112.1	V174 V175 G176 I180 K209 T211 H284	V174-E178 CarbonylContact C-O 3.52Å; V174-E178 VanDerWaalsContact CA-O 3.29Å; V174-E178 WeakPolarHBondContact CA-O 3.31Å; V175-E178 PolarHBondContact N-O 3.04Å; V175-E178 WeakPolarHBondContact O-CB 3.42Å; V175-E178 PolarHBondContact O-N 3.2Å; G176-E178 VanDerWaalsContact C-N 3.29Å; G176-E178 PolarHBondContact O-N 2.64Å; E178-I180 HydrophobicContact CG-CG1 3.94Å; E178-K209 WeakPolarHBondContact CA-O 3.47Å; E178-K209 HydrophobicContact CB-CB 3.81Å; E178-K209 HydrophobicContact CB-CD 4.36Å; E178-K209 HydrophobicContact CG-CB 3.79Å; E178-K209 WeakPolarHBondContact OE2-CE 3.38Å; E178-K209 IonicContact OE2-NZ 2.71Å; E178-K209 PolarHBondContact OE2-NZ 3.22Å; E178-T211 WeakPolarHBondContact OE1-CB 3.43Å; E178-T211 PolarHBondContact OE1-OG1 2.97Å; E178-H284 IonicContact OE1-CD2 3.26Å; E178-H284 IonicContact OE1-CE1 3.44Å; E178-H284 PolarHBondContact OE1-CE1 3.3Å; E178-H284 IonicContact OE1-NE2 3.89Å; E178-H284 PolarHBondContact OE1-NE2 3.31Å; E178-H284 IonicContact OE2-NE2 2.75Å
179	I	98.9	Very high	98.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125	167.2	-171.2	161.4	0	0	0	109.8	L172 V174 I200 K209 W210 T211	L172-I179 HydrophobicContact CD1-CD1 4.31Å; L172-I179 HydrophobicContact CD2-CD1 4.47Å; L172-I179 HydrophobicContact CD2-CG1 4.49Å; V174-I179 HydrophobicContact CG2-CB 4.28Å; V174-I179 HydrophobicContact CG2-CD1 4.3Å; V174-I179 HydrophobicContact CG2-CG1 4.14Å; I179-I200 HydrophobicContact CD1-CG1 4.18Å; I179-I200 HydrophobicContact CG2-CG2 4.1Å; I179-K209 PolarHBondContact N-O 3.16Å; I179-W210 HydrophobicContact CG2-CB 4.37Å; I179-T211 PolarHBondContact O-N 2.8Å
180	I	98.9	Very high	98.9	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.1	-175.6	-55.2	174.8	0	0	0	108.8	L172 M173 V175 E178 T211 W280 M281 L285	L172-I180 WeakPolarHBondContact CA-O 3.41Å; M173-I180 PolarHBondContact N-O 3.4Å; M173-I180 VanDerWaalsContact N-O 3.07Å; M173-I180 PolarHBondContact O-N 3.46Å; V175-I180 HydrophobicContact CG2-CD1 4.26Å; E178-I180 HydrophobicContact CG-CG1 3.94Å; I180-T211 CarbonylContact C-O 3.55Å; I180-T211 WeakPolarHBondContact CA-O 3.19Å; I180-T211 HydrophobicContact CG2-CG2 4.45Å; I180-W280 HydrophobicContact CG2-CH2 4.29Å; I180-W280 HydrophobicContact CG2-CZ3 4.23Å; I180-M281 HydrophobicContact CD1-CE 4.08Å; I180-M281 HydrophobicContact CG2-SD 4.48Å; I180-L285 HydrophobicContact CD1-CD2 4.07Å
181	E	98.9	Very high	98.9	Very high	7 Å²	7	10.8 Å²	10.8	3%	0.033	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.8	168.1	-61.1	179.9	-154.3	0	0	110	I171 L172 Y193 R197 I200 W210 T211 T212 A213	I171-E181 CarbonylContact O-C 3.47Å; I171-E181 WeakPolarHBondContact O-CA 3.11Å; L172-E181 HydrophobicContact CD2-CG 3.92Å; E181-Y193 VanDerWaalsContact OE2-CB 3.29Å; E181-Y193 WeakPolarHBondContact OE2-CB 3.44Å; E181-R197 IonicContact OE1-CZ 3.67Å; E181-R197 IonicContact OE1-NE 2.68Å; E181-R197 PolarHBondContact OE1-NE 3.19Å; E181-R197 IonicContact OE1-NH2 3.66Å; E181-R197 IonicContact OE2-CZ 2.73Å; E181-R197 IonicContact OE2-NE 3.53Å; E181-R197 PolarHBondContact OE2-NE 3.16Å; E181-R197 IonicContact OE2-NH2 2.72Å; E181-R197 PolarHBondContact OE2-NH2 2.82Å; E181-I200 HydrophobicContact CG-CD1 4Å; E181-I200 WeakPolarHBondContact OE1-CD1 3.4Å; E181-W210 WeakPolarHBondContact OE1-CZ2 3.43Å; E181-W210 PolarHBondContact OE1-NE1 2.92Å; E181-T211 PolarHBondContact N-O 3.43Å; E181-T212 HydrophobicContact CB-CG2 4.08Å; E181-T212 HydrophobicContact CG-CG2 4.16Å; E181-A213 PolarHBondContact O-N 3.22Å
182	A	98.9	Very high	98.9	Very high	5 Å²	5	10.9 Å²	10.9	4%	0.041	5%	0.053	C	C	.	.			trans	-69.6	149.2	175.4	0	0	0	0	0	111.3	I171 M184 F253 A255	I171-A182 PolarHBondContact O-N 3.37Å; A182-M184 HydrophobicContact CB-SD 4Å; A182-M184 PolarHBondContact O-N 3.21Å; A182-F253 HydrophobicContact CB-CD2 3.97Å; A182-F253 HydrophobicContact CB-CE2 3.72Å; A182-A255 HydrophobicContact CB-CB 4.05Å
183	P	98.8	Very high	98.8	Very high	1 Å²	1	13 Å²	13	1%	0.006	6%	0.061	C	C	.	.			trans	-69.8	-24.6	179.9	25.9	-29.5	0	0	0	112.7	A213 P214 K215 P216 F253	P183-A213 HydrophobicContact CB-CB 4.4Å; P183-A213 HydrophobicContact CG-CB 4.19Å; P183-P214 WeakPolarHBondContact CB-O 3.35Å; P183-K215 WeakPolarHBondContact O-CE 3.32Å; P183-K215 PolarHBondContact O-NZ 3.35Å; P183-P216 HydrophobicContact CB-CG 4.15Å; P183-F253 VanDerWaalsContact CD-CD1 3.46Å; P183-F253 WeakPolarHBondContact CD-O 3.35Å; P183-F253 HydrophobicContact CG-CD1 3.43Å; P183-F253 VanDerWaalsContact CG-CD1 3.43Å; P183-F253 HydrophobicContact CG-CD2 4.5Å; P183-F253 HydrophobicContact CG-CE1 3.56Å; P183-F253 HydrophobicContact CG-CG 3.94Å; P183-F253 HydrophobicContact CG-CZ 4.16Å
184	M	98.9	Very high	98.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.085	C	C	.	.			trans	64.7	166.5	-167.9	-42.9	-50.4	-66.5	0	0	112.2	D170 I171 A182 R189 M218 F253 D254	D170-M184 HydrophobicContact CB-CE 4.14Å; I171-M184 HydrophobicContact CB-CE 4.25Å; I171-M184 HydrophobicContact CB-SD 3.67Å; I171-M184 HydrophobicContact CD1-CG 4.32Å; I171-M184 HydrophobicContact CD1-SD 4.1Å; I171-M184 HydrophobicContact CG1-CG 4.48Å; I171-M184 HydrophobicContact CG1-SD 3.71Å; A182-M184 HydrophobicContact CB-SD 4Å; A182-M184 PolarHBondContact O-N 3.21Å; M184-R189 HydrophobicContact CB-CB 4.21Å; M184-R189 HydrophobicContact CE-CB 4.38Å; M184-R189 HydrophobicContact CG-CB 4.29Å; M184-M218 HydrophobicContact CB-CE 4.11Å; M184-M218 WeakPolarHBondContact O-CE 3.44Å; M184-F253 WeakPolarHBondContact CA-O 3.36Å; M184-F253 PolarHBondContact N-O 3.3Å; M184-D254 WeakPolarHBondContact CE-OD1 3.31Å
185	A	98.8	Very high	98.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-127	-6.4	173.6	0	0	0	0	0	114.7	Y223 T246 C252 V272	A185-Y223 VanDerWaalsContact O-CE1 3.28Å; A185-Y223 WeakPolarHBondContact O-CE1 3.24Å; A185-Y223 PolarHBondContact O-OH 3.22Å; A185-T246 HydrophobicContact CB-CG2 4.26Å; A185-C252 HydrophobicContact CB-CB 4.03Å; A185-V272 HydrophobicContact CB-CB 3.76Å; A185-V272 HydrophobicContact CB-CG1 4.09Å; A185-V272 VanDerWaalsContact CB-O 3.3Å; A185-V272 WeakPolarHBondContact CB-O 3.46Å
186	W	98.9	Very high	98.9	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	8%	0.083	C	C	.	.			trans	-95.7	132.2	175.8	-74.7	17.5	0	0	0	111.2	P89 E94 V95 N98 M163 A188 R189 M302 M353	P89-W186 HydrophobicContact CG-CZ3 4.04Å; E94-W186 HydrophobicContact CG-CB 4.32Å; E94-W186 VanDerWaalsContact CG-CD1 3.43Å; E94-W186 HydrophobicContact CG-CD2 4.47Å; E94-W186 HydrophobicContact CG-CG 3.83Å; V95-W186 HydrophobicContact CG2-CD2 4.17Å; V95-W186 HydrophobicContact CG2-CE3 3.9Å; V95-W186 HydrophobicContact CG2-CH2 4.47Å; V95-W186 HydrophobicContact CG2-CZ3 4.05Å; N98-W186 HydrophobicContact CB-CH2 4.32Å; N98-W186 HydrophobicContact CB-CZ2 3.41Å; N98-W186 VanDerWaalsContact CB-CZ2 3.41Å; N98-W186 PolarHBondContact OD1-NE1 2.75Å; M163-W186 HydrophobicContact CE-CE3 4.32Å; M163-W186 HydrophobicContact CE-CZ3 3.65Å; M163-W186 HydrophobicContact SD-CE3 3.84Å; M163-W186 HydrophobicContact SD-CZ3 3.79Å; W186-A188 PolarHBondContact O-N 3.24Å; W186-R189 HydrophobicContact CB-CB 4.25Å; W186-R189 HydrophobicContact CB-CG 3.9Å; W186-R189 PolarHBondContact O-N 2.97Å; W186-M302 HydrophobicContact CZ2-CE 4.01Å; W186-M302 HydrophobicContact CZ2-SD 4.02Å; W186-M353 HydrophobicContact CH2-SD 4.17Å; W186-M353 HydrophobicContact CZ3-SD 4.32Å
187	R	98.9	Very high	98.9	Very high	31 Å²	31	22 Å²	22	12%	0.117	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-54	-41.9	176.5	-76.3	177	173	168.4	1.9	111.4	Y153 F158 R189 F190 M218 D220 Y223	Y153-R187 PolarHBondContact OH-O 2.88Å; F158-R187 HydrophobicContact CB-CG 4.49Å; F158-R187 HydrophobicContact CD1-CG 4.09Å; F158-R187 HydrophobicContact CD2-CB 3.71Å; F158-R187 HydrophobicContact CD2-CG 3.67Å; F158-R187 HydrophobicContact CE1-CG 4.24Å; F158-R187 HydrophobicContact CE2-CB 3.56Å; F158-R187 HydrophobicContact CE2-CG 3.81Å; F158-R187 HydrophobicContact CG-CB 4.38Å; F158-R187 HydrophobicContact CG-CG 3.83Å; F158-R187 HydrophobicContact CZ-CB 4.14Å; F158-R187 HydrophobicContact CZ-CG 4.11Å; R187-R189 PolarHBondContact O-N 3.23Å; R187-R189 VanDerWaalsContact O-N 3.16Å; R187-F190 WeakPolarHBondContact O-CB 3.35Å; R187-F190 PolarHBondContact O-N 3.42Å; R187-M218 HydrophobicContact CG-CB 4.08Å; R187-M218 HydrophobicContact CG-SD 4.28Å; R187-M218 VanDerWaalsContact CZ-O 3.31Å; R187-M218 PolarHBondContact NE-O 3.01Å; R187-M218 PolarHBondContact NH2-O 3.05Å; R187-D220 IonicContact CZ-OD1 3.1Å; R187-D220 IonicContact NH1-OD1 2.67Å; R187-D220 PolarHBondContact NH1-OD1 2.71Å; R187-D220 IonicContact NH2-OD1 3.24Å; R187-D220 PolarHBondContact NH2-OD1 3.32Å; R187-Y223 HydrophobicContact CG-CE2 4.4Å
188	A	98.8	Very high	98.9	Very high	5 Å²	5	21 Å²	21	4%	0.041	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-64	-16.6	178.5	0	0	0	0	0	115	P89 Y153 S160 T161 G162 M163 W186	P89-A188 HydrophobicContact CB-CB 3.74Å; Y153-A188 VanDerWaalsContact OH-CA 3.25Å; Y153-A188 WeakPolarHBondContact OH-CA 3.27Å; Y153-A188 PolarHBondContact OH-O 2.88Å; Y153-A188 VanDerWaalsContact OH-O 3.08Å; S160-A188 WeakPolarHBondContact OG-CA 3.47Å; T161-A188 WeakPolarHBondContact O-CA 3.47Å; G162-A188 CarbonylContact C-O 3.52Å; G162-A188 WeakPolarHBondContact CA-O 3.29Å; M163-A188 HydrophobicContact CB-CB 4.34Å; M163-A188 PolarHBondContact N-O 2.92Å; W186-A188 PolarHBondContact O-N 3.24Å
189	R	98.9	Very high	98.9	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.008	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-104.4	5.9	-179.1	-56.7	-172	74.7	168.6	14.7	113	M163 D170 M184 W186 R187 F191 E192 D254	M163-R189 HydrophobicContact CB-CG 4.38Å; M163-R189 HydrophobicContact SD-CG 3.85Å; D170-R189 IonicContact OD2-CZ 3.2Å; D170-R189 VanDerWaalsContact OD2-CZ 3.24Å; D170-R189 IonicContact OD2-NH1 3.25Å; D170-R189 PolarHBondContact OD2-NH1 2.89Å; D170-R189 IonicContact OD2-NH2 3.94Å; D170-R189 PolarHBondContact OD2-NH2 2.75Å; M184-R189 HydrophobicContact CB-CB 4.21Å; M184-R189 HydrophobicContact CE-CB 4.38Å; M184-R189 HydrophobicContact CG-CB 4.29Å; W186-R189 HydrophobicContact CB-CB 4.25Å; W186-R189 HydrophobicContact CB-CG 3.9Å; W186-R189 PolarHBondContact O-N 2.97Å; R187-R189 PolarHBondContact O-N 3.23Å; R187-R189 VanDerWaalsContact O-N 3.16Å; R189-F191 VanDerWaalsContact C-N 3.32Å; R189-F191 PolarHBondContact O-N 2.68Å; R189-E192 IonicContact CZ-OE1 3.86Å; R189-E192 IonicContact CZ-OE2 2.61Å; R189-E192 IonicContact NE-OE1 3.35Å; R189-E192 IonicContact NE-OE2 2.74Å; R189-E192 PolarHBondContact NE-OE2 3.33Å; R189-E192 IonicContact NH2-OE1 2.75Å; R189-E192 PolarHBondContact NH2-OE1 2.98Å; R189-E192 IonicContact NH2-OE2 3.83Å; R189-E192 PolarHBondContact NH2-OE2 3.39Å; R189-E192 WeakPolarHBondContact O-CB 3.24Å; R189-E192 PolarHBondContact O-N 2.89Å; R189-D254 IonicContact NH1-OD2 3.39Å; R189-D254 PolarHBondContact NH1-OD2 3.2Å
190	F	98.9	Very high	98.8	Very high	25 Å²	25	21.5 Å²	21.5	11%	0.11	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-45.8	-175.2	-170.2	-83.6	0	0	0	112.6	Y153 T155 F158 R187 Y193 K215 P216 M218	Y153-F190 HydrophobicContact CE2-CB 4.06Å; T155-F190 HydrophobicContact CG2-CE1 4.3Å; T155-F190 HydrophobicContact CG2-CE2 4.48Å; T155-F190 HydrophobicContact CG2-CZ 4.25Å; F158-F190 AromaticContact CE1-CD2 3.88Å; F158-F190 HydrophobicContact CE1-CD2 3.88Å; F158-F190 HydrophobicContact CE1-CE2 4.21Å; F158-F190 HydrophobicContact CZ-CB 3.88Å; F158-F190 AromaticContact CZ-CD2 3.65Å; F158-F190 HydrophobicContact CZ-CD2 3.65Å; F158-F190 HydrophobicContact CZ-CE2 4.36Å; F158-F190 AromaticContact CZ-CG 3.88Å; F158-F190 HydrophobicContact CZ-CG 3.88Å; R187-F190 WeakPolarHBondContact O-CB 3.35Å; R187-F190 PolarHBondContact O-N 3.42Å; F190-Y193 WeakPolarHBondContact O-CD1 3.38Å; F190-Y193 VanDerWaalsContact O-CE1 3.27Å; F190-Y193 WeakPolarHBondContact O-CE1 3.43Å; F190-K215 HydrophobicContact CE1-CG 4.28Å; F190-K215 HydrophobicContact CE2-CG 3.85Å; F190-K215 HydrophobicContact CZ-CG 3.69Å; F190-K215 WeakPolarHBondContact O-CE 3.47Å; F190-K215 PolarHBondContact O-NZ 3.18Å; F190-P216 VanDerWaalsContact CE2-O 3.29Å; F190-P216 WeakPolarHBondContact CE2-O 3.48Å; F190-M218 HydrophobicContact CD2-CE 4.17Å; F190-M218 HydrophobicContact CD2-CG 4.36Å; F190-M218 HydrophobicContact CD2-SD 3.83Å
191	F	98.9	Very high	98.8	Very high	57 Å²	57	25.8 Å²	25.8	25%	0.25	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	14.5	-178.2	-71.7	-64.5	0	0	0	114.8	Y153 R189 Y193 R194	Y153-F191 AromaticContact CD1-CD2 3.98Å; Y153-F191 HydrophobicContact CD1-CD2 3.98Å; Y153-F191 AromaticContact CD2-CD2 3.52Å; Y153-F191 HydrophobicContact CD2-CD2 3.52Å; Y153-F191 AromaticContact CD2-CE2 3.54Å; Y153-F191 HydrophobicContact CD2-CE2 3.54Å; Y153-F191 HydrophobicContact CE1-CD2 4.23Å; Y153-F191 AromaticContact CE2-CD2 3.76Å; Y153-F191 HydrophobicContact CE2-CD2 3.76Å; Y153-F191 HydrophobicContact CE2-CE2 4.1Å; Y153-F191 AromaticContact CG-CD2 3.61Å; Y153-F191 HydrophobicContact CG-CD2 3.61Å; Y153-F191 AromaticContact CG-CE2 3.81Å; Y153-F191 HydrophobicContact CG-CE2 3.81Å; R189-F191 VanDerWaalsContact C-N 3.32Å; R189-F191 PolarHBondContact O-N 2.68Å; F191-Y193 AromaticContact CD1-CE1 3.81Å; F191-Y193 HydrophobicContact CD1-CE1 3.81Å; F191-Y193 AromaticContact CD1-CZ 3.72Å; F191-Y193 VanDerWaalsContact CD1-OH 3.27Å; F191-Y193 WeakPolarHBondContact CD1-OH 3.22Å; F191-Y193 HydrophobicContact CE1-CE1 4.49Å; F191-Y193 WeakPolarHBondContact CE1-OH 3.49Å; F191-Y193 PolarHBondContact O-N 2.85Å; F191-R194 HydrophobicContact CB-CG 4.41Å; F191-R194 WeakPolarHBondContact O-CB 3.4Å; F191-R194 WeakPolarHBondContact O-CG 3.4Å; F191-R194 PolarHBondContact O-N 2.82Å; F191-R194 VanDerWaalsContact O-N 3.13Å
192	E	98.9	Very high	98.8	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.009	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-59.3	-32.7	-177.3	-178	167.7	147.1	0	0	113	W149 Y164 I171 R189 R194 A195 Y196	W149-E192 HydrophobicContact CH2-CG 4.39Å; Y164-E192 WeakPolarHBondContact O-CG 3.31Å; I171-E192 HydrophobicContact CD1-CB 3.77Å; I171-E192 HydrophobicContact CD1-CG 3.91Å; R189-E192 IonicContact CZ-OE1 3.86Å; R189-E192 IonicContact CZ-OE2 2.61Å; R189-E192 IonicContact NE-OE1 3.35Å; R189-E192 IonicContact NE-OE2 2.74Å; R189-E192 PolarHBondContact NE-OE2 3.33Å; R189-E192 IonicContact NH2-OE1 2.75Å; R189-E192 PolarHBondContact NH2-OE1 2.98Å; R189-E192 IonicContact NH2-OE2 3.83Å; R189-E192 PolarHBondContact NH2-OE2 3.39Å; R189-E192 WeakPolarHBondContact O-CB 3.24Å; R189-E192 PolarHBondContact O-N 2.89Å; E192-R194 PolarHBondContact O-N 3.03Å; E192-A195 PolarHBondContact O-N 2.94Å; E192-Y196 HydrophobicContact CG-CE2 4.25Å
193	Y	98.8	Very high	98.8	Very high	44 Å²	44	27.7 Å²	27.7	17%	0.173	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-53.7	-27	177.7	63.6	-99	0	0	0	113.6	E181 F190 F191 A195 Y196 R197	E181-Y193 VanDerWaalsContact OE2-CB 3.29Å; E181-Y193 WeakPolarHBondContact OE2-CB 3.44Å; F190-Y193 WeakPolarHBondContact O-CD1 3.38Å; F190-Y193 VanDerWaalsContact O-CE1 3.27Å; F190-Y193 WeakPolarHBondContact O-CE1 3.43Å; F191-Y193 AromaticContact CD1-CE1 3.81Å; F191-Y193 HydrophobicContact CD1-CE1 3.81Å; F191-Y193 AromaticContact CD1-CZ 3.72Å; F191-Y193 VanDerWaalsContact CD1-OH 3.27Å; F191-Y193 WeakPolarHBondContact CD1-OH 3.22Å; F191-Y193 HydrophobicContact CE1-CE1 4.49Å; F191-Y193 WeakPolarHBondContact CE1-OH 3.49Å; F191-Y193 PolarHBondContact O-N 2.85Å; Y193-A195 PolarHBondContact O-N 3.24Å; Y193-A195 VanDerWaalsContact O-N 3.16Å; Y193-Y196 PolarHBondContact O-N 2.98Å; Y193-R197 HydrophobicContact CD2-CG 4.12Å; Y193-R197 WeakPolarHBondContact O-CG 3.45Å; Y193-R197 PolarHBondContact O-N 2.99Å
194	R	98.9	Very high	98.8	Very high	138 Å²	138	33.2 Å²	33.2	52%	0.521	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-57.6	-33.2	-176.3	-69.7	-179.2	64.2	-116.2	-1.3	112.2	I147 F191 E192 Y196	I147-R194 HydrophobicContact CD1-CB 3.85Å; F191-R194 HydrophobicContact CB-CG 4.41Å; F191-R194 WeakPolarHBondContact O-CB 3.4Å; F191-R194 WeakPolarHBondContact O-CG 3.4Å; F191-R194 PolarHBondContact O-N 2.82Å; F191-R194 VanDerWaalsContact O-N 3.13Å; E192-R194 PolarHBondContact O-N 3.03Å; R194-Y196 PolarHBondContact O-N 3.38Å
195	A	98.8	Very high	98.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-66.1	-26.2	-179.5	0	0	0	0	0	112.7	P144 E145 I147 W149 A165 E192 Y193	P144-A195 WeakPolarHBondContact CA-O 3.45Å; P144-A195 HydrophobicContact CB-CB 3.83Å; E145-A195 PolarHBondContact N-O 3.01Å; I147-A195 HydrophobicContact CD1-CB 3.71Å; I147-A195 HydrophobicContact CG1-CB 4.29Å; W149-A195 HydrophobicContact CH2-CB 4.06Å; W149-A195 HydrophobicContact CZ2-CB 4.01Å; A165-A195 HydrophobicContact CB-CB 3.71Å; E192-A195 PolarHBondContact O-N 2.94Å; Y193-A195 PolarHBondContact O-N 3.24Å; Y193-A195 VanDerWaalsContact O-N 3.16Å
196	Y	98.9	Very high	98.8	Very high	0 Å²	0	46 Å²	46	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-15.5	-173.9	-55.5	-80	0	0	0	113.3	I79 P144 A165 P168 I171 L172 E192 Y193 R194 L199 I200	I79-Y196 HydrophobicContact CG2-CD1 4.22Å; I79-Y196 HydrophobicContact CG2-CE1 4.05Å; P144-Y196 HydrophobicContact CB-CD1 3.84Å; P144-Y196 HydrophobicContact CB-CE1 3.66Å; P144-Y196 HydrophobicContact CG-CE1 3.92Å; A165-Y196 HydrophobicContact CB-CE2 4.2Å; A165-Y196 PolarHBondContact O-OH 2.98Å; P168-Y196 WeakPolarHBondContact CA-OH 3.49Å; P168-Y196 HydrophobicContact CB-CE1 3.77Å; I171-Y196 HydrophobicContact CG2-CD2 4.1Å; I171-Y196 HydrophobicContact CG2-CE2 3.52Å; L172-Y196 HydrophobicContact CD1-CD1 3.65Å; L172-Y196 HydrophobicContact CD1-CD2 4.47Å; L172-Y196 HydrophobicContact CD1-CE1 4.19Å; L172-Y196 HydrophobicContact CD1-CG 3.81Å; L172-Y196 HydrophobicContact CG-CG 4.5Å; E192-Y196 HydrophobicContact CG-CE2 4.25Å; Y193-Y196 PolarHBondContact O-N 2.98Å; R194-Y196 PolarHBondContact O-N 3.38Å; Y196-L199 WeakPolarHBondContact O-CB 3.44Å; Y196-L199 PolarHBondContact O-N 3.46Å; Y196-I200 WeakPolarHBondContact O-CG1 3.37Å; Y196-I200 PolarHBondContact O-N 2.74Å
197	R	98.6	Very high	98.7	Very high	65 Å²	65	48.4 Å²	48.4	25%	0.245	22%	0.22	C	C	.	.	H	α-helix	trans	-56	-36.8	-174.6	-71.5	-66.3	172	84.4	-3.3	114.7	E181 Y193 K201	E181-R197 IonicContact OE1-CZ 3.67Å; E181-R197 IonicContact OE1-NE 2.68Å; E181-R197 PolarHBondContact OE1-NE 3.19Å; E181-R197 IonicContact OE1-NH2 3.66Å; E181-R197 IonicContact OE2-CZ 2.73Å; E181-R197 IonicContact OE2-NE 3.53Å; E181-R197 PolarHBondContact OE2-NE 3.16Å; E181-R197 IonicContact OE2-NH2 2.72Å; E181-R197 PolarHBondContact OE2-NH2 2.82Å; Y193-R197 HydrophobicContact CD2-CG 4.12Å; Y193-R197 WeakPolarHBondContact O-CG 3.45Å; Y193-R197 PolarHBondContact O-N 2.99Å; R197-K201 WeakPolarHBondContact O-CB 3.43Å; R197-K201 VanDerWaalsContact O-CE 3.28Å; R197-K201 WeakPolarHBondContact O-CE 3.21Å; R197-K201 VanDerWaalsContact O-CG 3.23Å; R197-K201 WeakPolarHBondContact O-CG 3.43Å; R197-K201 PolarHBondContact O-N 3.44Å
198	P	98.8	Very high	98.7	Very high	49 Å²	49	47 Å²	47	32%	0.318	22%	0.216	S	C	.	.	H	α-helix	trans	-59.8	-44.4	174.4	-29.5	41	0	0	0	113.1	E145 E202	E145-P198 HydrophobicContact CG-CB 4.38Å; E145-P198 HydrophobicContact CG-CG 3.68Å; P198-E202 PolarHBondContact O-N 2.87Å; P198-E202 VanDerWaalsContact O-N 3.1Å
199	L	98.8	Very high	98.7	Very high	18 Å²	18	51.9 Å²	51.9	9%	0.094	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-48.3	176.5	-62.4	177.6	0	0	0	111.6	I79 K142 R143 Y196 K201 E202 Y203	I79-L199 HydrophobicContact CD1-CD1 4.15Å; I79-L199 HydrophobicContact CG1-CD1 4.1Å; I79-L199 HydrophobicContact CG2-CD1 4.33Å; K142-L199 HydrophobicContact CB-CD1 4.06Å; K142-L199 HydrophobicContact CB-CD2 4.02Å; K142-L199 HydrophobicContact CD-CD2 3.97Å; K142-L199 HydrophobicContact CG-CD2 4.32Å; R143-L199 WeakPolarHBondContact O-CD1 3.33Å; Y196-L199 WeakPolarHBondContact O-CB 3.44Å; Y196-L199 PolarHBondContact O-N 3.46Å; L199-K201 VanDerWaalsContact C-N 3.3Å; L199-K201 PolarHBondContact O-N 3.36Å; L199-E202 WeakPolarHBondContact O-CA 2.94Å; L199-E202 VanDerWaalsContact O-CB 3.23Å; L199-E202 WeakPolarHBondContact O-CB 3.1Å; L199-E202 PolarHBondContact O-N 3.32Å; L199-Y203 HydrophobicContact CB-CE2 4.19Å; L199-Y203 VanDerWaalsContact O-CD2 3.3Å; L199-Y203 WeakPolarHBondContact O-CD2 3.46Å; L199-Y203 PolarHBondContact O-N 3.43Å
200	I	98.8	Very high	98.7	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-62.4	-39.4	-178.2	-61.6	169.7	0	0	0	111	L172 I179 E181 Y196 E202 Y203 F204 W210	L172-I200 HydrophobicContact CD2-CD1 3.85Å; I179-I200 HydrophobicContact CD1-CG1 4.18Å; I179-I200 HydrophobicContact CG2-CG2 4.1Å; E181-I200 HydrophobicContact CG-CD1 4Å; E181-I200 WeakPolarHBondContact OE1-CD1 3.4Å; Y196-I200 WeakPolarHBondContact O-CG1 3.37Å; Y196-I200 PolarHBondContact O-N 2.74Å; I200-E202 VanDerWaalsContact C-N 3.31Å; I200-E202 PolarHBondContact O-N 2.89Å; I200-Y203 PolarHBondContact O-N 2.91Å; I200-F204 WeakPolarHBondContact O-CB 3.33Å; I200-F204 PolarHBondContact O-N 3.18Å; I200-W210 HydrophobicContact CG2-CB 4.22Å; I200-W210 VanDerWaalsContact CG2-CD1 3.45Å; I200-W210 HydrophobicContact CG2-CD2 3.51Å; I200-W210 HydrophobicContact CG2-CE3 4.17Å; I200-W210 HydrophobicContact CG2-CG 3.49Å; I200-W210 VanDerWaalsContact CG2-CG 3.49Å; I200-W210 HydrophobicContact CG2-CZ2 4.28Å
201	K	98.8	Very high	98.7	Very high	90 Å²	90	55.6 Å²	55.6	39%	0.391	25%	0.253	S	S	.	.	H	α-helix	trans	-64.6	-33	172.3	-73.2	-178.3	-60	-178.9	0	112.8	R197 L199 R205 W210	R197-K201 WeakPolarHBondContact O-CB 3.43Å; R197-K201 VanDerWaalsContact O-CE 3.28Å; R197-K201 WeakPolarHBondContact O-CE 3.21Å; R197-K201 VanDerWaalsContact O-CG 3.23Å; R197-K201 WeakPolarHBondContact O-CG 3.43Å; R197-K201 PolarHBondContact O-N 3.44Å; L199-K201 VanDerWaalsContact C-N 3.3Å; L199-K201 PolarHBondContact O-N 3.36Å; K201-R205 VanDerWaalsContact O-CG 3.28Å; K201-R205 WeakPolarHBondContact O-CG 3.34Å; K201-R205 PolarHBondContact O-N 3.21Å; K201-W210 HydrophobicContact CG-CZ3 4.41Å
202	E	98.6	Very high	98.7	Very high	52 Å²	52	56.3 Å²	56.3	24%	0.243	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-48.6	172.8	-169.8	-165.6	149.8	0	0	110.4	K142 P198 L199 I200 R205 K206	K142-E202 VanDerWaalsContact NZ-CD 3.31Å; K142-E202 IonicContact NZ-OE1 3.13Å; K142-E202 PolarHBondContact NZ-OE1 3.29Å; K142-E202 IonicContact NZ-OE2 3.45Å; K142-E202 PolarHBondContact NZ-OE2 3.15Å; P198-E202 PolarHBondContact O-N 2.87Å; P198-E202 VanDerWaalsContact O-N 3.1Å; L199-E202 WeakPolarHBondContact O-CA 2.94Å; L199-E202 VanDerWaalsContact O-CB 3.23Å; L199-E202 WeakPolarHBondContact O-CB 3.1Å; L199-E202 PolarHBondContact O-N 3.32Å; I200-E202 VanDerWaalsContact C-N 3.31Å; I200-E202 PolarHBondContact O-N 2.89Å; E202-R205 PolarHBondContact O-N 3.25Å; E202-K206 HydrophobicContact CG-CD 4.45Å; E202-K206 WeakPolarHBondContact O-CG 3.37Å; E202-K206 PolarHBondContact O-N 3.21Å; E202-K206 IonicContact OE1-NZ 3.87Å; E202-K206 PolarHBondContact OE1-NZ 2.86Å
203	Y	98.8	Very high	98.7	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-43.9	178.6	-62.3	-42.4	0	0	0	113	P65 V66 E77 I79 K142 L199 I200 R205 K206 G207 A208 V412	P65-Y203 HydrophobicContact CB-CD1 4.08Å; P65-Y203 HydrophobicContact CB-CE1 4.44Å; P65-Y203 HydrophobicContact CG-CD1 3.87Å; V66-Y203 HydrophobicContact CG2-CD1 4.14Å; V66-Y203 HydrophobicContact CG2-CD2 4.15Å; V66-Y203 HydrophobicContact CG2-CG 3.77Å; E77-Y203 WeakPolarHBondContact OE1-CE1 3.34Å; E77-Y203 VanDerWaalsContact OE1-CZ 3.28Å; E77-Y203 PolarHBondContact OE1-OH 3.02Å; I79-Y203 HydrophobicContact CD1-CE2 4.34Å; K142-Y203 WeakPolarHBondContact CG-OH 3.49Å; L199-Y203 HydrophobicContact CB-CE2 4.19Å; L199-Y203 VanDerWaalsContact O-CD2 3.3Å; L199-Y203 WeakPolarHBondContact O-CD2 3.46Å; L199-Y203 PolarHBondContact O-N 3.43Å; I200-Y203 PolarHBondContact O-N 2.91Å; Y203-R205 VanDerWaalsContact C-N 3.34Å; Y203-R205 PolarHBondContact O-N 2.81Å; Y203-K206 CarbonylContact O-C 3.54Å; Y203-K206 WeakPolarHBondContact O-CA 3.35Å; Y203-K206 PolarHBondContact O-N 2.98Å; Y203-G207 PolarHBondContact O-N 3.4Å; Y203-A208 WeakPolarHBondContact O-CB 3.04Å; Y203-A208 PolarHBondContact O-N 2.94Å; Y203-A208 VanDerWaalsContact O-N 3.07Å; Y203-V412 HydrophobicContact CE1-CG1 4.08Å; Y203-V412 HydrophobicContact CE2-CG1 4.06Å; Y203-V412 HydrophobicContact CE2-CG2 4.26Å
204	F	98.8	Very high	98.7	Very high	117 Å²	117	57.5 Å²	57.5	51%	0.513	28%	0.275	S	S	.	.	H	α-helix	trans	-59.3	-43.8	178	-179.7	-103.3	0	0	0	112	I200 K206 G207 A208 W210	I200-F204 WeakPolarHBondContact O-CB 3.33Å; I200-F204 PolarHBondContact O-N 3.18Å; F204-K206 PolarHBondContact O-N 2.88Å; F204-G207 PolarHBondContact O-N 3.13Å; F204-A208 WeakPolarHBondContact CD2-O 3.46Å; F204-W210 HydrophobicContact CB-CE3 4.41Å; F204-W210 HydrophobicContact CD2-CB 3.97Å; F204-W210 HydrophobicContact CD2-CE3 4.49Å; F204-W210 HydrophobicContact CG-CE3 4.33Å
205	R	98.6	Very high	98.7	Very high	190 Å²	190	54.3 Å²	54.3	72%	0.717	27%	0.265	S	S	*	.	H	α-helix	trans	-63.2	-23.3	175.7	-72.8	179.5	-167.1	121	-9.1	113.5	K201 E202 Y203	K201-R205 VanDerWaalsContact O-CG 3.28Å; K201-R205 WeakPolarHBondContact O-CG 3.34Å; K201-R205 PolarHBondContact O-N 3.21Å; E202-R205 PolarHBondContact O-N 3.25Å; Y203-R205 VanDerWaalsContact C-N 3.34Å; Y203-R205 PolarHBondContact O-N 2.81Å
206	K	98	Very high	98.7	Very high	77 Å²	77	54.4 Å²	54.4	34%	0.335	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	13.9	177.7	-68.1	174.8	175.5	177.1	0	112.7	P65 E202 Y203 F204	P65-K206 VanDerWaalsContact CD-O 3.29Å; P65-K206 WeakPolarHBondContact CD-O 3.4Å; P65-K206 HydrophobicContact CG-CB 3.61Å; P65-K206 HydrophobicContact CG-CD 4.11Å; E202-K206 HydrophobicContact CG-CD 4.45Å; E202-K206 WeakPolarHBondContact O-CG 3.37Å; E202-K206 PolarHBondContact O-N 3.21Å; E202-K206 IonicContact OE1-NZ 3.87Å; E202-K206 PolarHBondContact OE1-NZ 2.86Å; Y203-K206 CarbonylContact O-C 3.54Å; Y203-K206 WeakPolarHBondContact O-CA 3.35Å; Y203-K206 PolarHBondContact O-N 2.98Å; F204-K206 PolarHBondContact O-N 2.88Å
207	G	97.8	Very high	98.7	Very high	52 Å²	52	57 Å²	57	54%	0.536	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.8	2.6	170.3	0	0	0	0	0	116.3	Y203 F204	Y203-G207 PolarHBondContact O-N 3.4Å; F204-G207 PolarHBondContact O-N 3.13Å
208	A	98.6	Very high	98.7	Very high	3 Å²	3	53.9 Å²	53.9	3%	0.025	27%	0.27	C	S	.	.			trans	-69.8	142.1	175.1	0	0	0	0	0	112	C64 V66 Y203 F204	C64-A208 VanDerWaalsContact SG-CA 3.55Å; V66-A208 HydrophobicContact CB-CB 3.76Å; V66-A208 HydrophobicContact CG2-CB 3.41Å; V66-A208 VanDerWaalsContact CG2-CB 3.41Å; Y203-A208 WeakPolarHBondContact O-CB 3.04Å; Y203-A208 PolarHBondContact O-N 2.94Å; Y203-A208 VanDerWaalsContact O-N 3.07Å; F204-A208 WeakPolarHBondContact CD2-O 3.46Å
209	K	98.8	Very high	98.7	Very high	106 Å²	106	52.4 Å²	52.4	46%	0.461	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.5	167.1	-64.6	171.9	70.1	-155.8	0	108.4	N177 E178 I179	N177-K209 PolarHBondContact O-N 3.2Å; E178-K209 WeakPolarHBondContact CA-O 3.47Å; E178-K209 HydrophobicContact CB-CB 3.81Å; E178-K209 HydrophobicContact CB-CD 4.36Å; E178-K209 HydrophobicContact CG-CB 3.79Å; E178-K209 WeakPolarHBondContact OE2-CE 3.38Å; E178-K209 IonicContact OE2-NZ 2.71Å; E178-K209 PolarHBondContact OE2-NZ 3.22Å; I179-K209 PolarHBondContact N-O 3.16Å
210	W	98.9	Very high	98.7	Very high	79 Å²	79	55.8 Å²	55.8	30%	0.299	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.1	177.5	170.4	28.3	0	0	0	109.6	I179 E181 I200 K201 F204 T212	I179-W210 HydrophobicContact CG2-CB 4.37Å; E181-W210 WeakPolarHBondContact OE1-CZ2 3.43Å; E181-W210 PolarHBondContact OE1-NE1 2.92Å; I200-W210 HydrophobicContact CG2-CB 4.22Å; I200-W210 VanDerWaalsContact CG2-CD1 3.45Å; I200-W210 HydrophobicContact CG2-CD2 3.51Å; I200-W210 HydrophobicContact CG2-CE3 4.17Å; I200-W210 HydrophobicContact CG2-CG 3.49Å; I200-W210 VanDerWaalsContact CG2-CG 3.49Å; I200-W210 HydrophobicContact CG2-CZ2 4.28Å; K201-W210 HydrophobicContact CG-CZ3 4.41Å; F204-W210 HydrophobicContact CB-CE3 4.41Å; F204-W210 HydrophobicContact CD2-CB 3.97Å; F204-W210 HydrophobicContact CD2-CE3 4.49Å; F204-W210 HydrophobicContact CG-CE3 4.33Å; W210-T212 HydrophobicContact CZ2-CG2 4.41Å
211	T	98.9	Very high	98.7	Very high	27 Å²	27	60.8 Å²	60.8	17%	0.166	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.9	179	-67.4	0	0	0	0	110.3	E178 I179 I180 E181 W280	E178-T211 WeakPolarHBondContact OE1-CB 3.43Å; E178-T211 PolarHBondContact OE1-OG1 2.97Å; I179-T211 PolarHBondContact O-N 2.8Å; I180-T211 CarbonylContact C-O 3.55Å; I180-T211 WeakPolarHBondContact CA-O 3.19Å; I180-T211 HydrophobicContact CG2-CG2 4.45Å; E181-T211 PolarHBondContact N-O 3.43Å; T211-W280 HydrophobicContact CG2-CH2 3.84Å; T211-W280 HydrophobicContact CG2-CZ2 4.24Å
212	T	98.9	Very high	98.7	Very high	72 Å²	72	56.5 Å²	56.5	44%	0.442	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.1	167.3	61.3	0	0	0	0	108.4	E181 W210	E181-T212 HydrophobicContact CB-CG2 4.08Å; E181-T212 HydrophobicContact CG-CG2 4.16Å; W210-T212 HydrophobicContact CZ2-CG2 4.41Å
213	A	98.8	Very high	98.7	Very high	6 Å²	6	54.3 Å²	54.3	5%	0.05	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-59.9	154.1	171.2	0	0	0	0	0	110.8	E181 P183 K215 F253 W280	E181-A213 PolarHBondContact O-N 3.22Å; P183-A213 HydrophobicContact CB-CB 4.4Å; P183-A213 HydrophobicContact CG-CB 4.19Å; A213-K215 PolarHBondContact O-N 2.98Å; A213-K215 VanDerWaalsContact O-N 3.08Å; A213-F253 HydrophobicContact CB-CE1 3.84Å; A213-F253 HydrophobicContact CB-CZ 3.76Å; A213-W280 HydrophobicContact CB-CD2 4.32Å; A213-W280 HydrophobicContact CB-CE3 3.91Å; A213-W280 HydrophobicContact CB-CH2 3.59Å; A213-W280 HydrophobicContact CB-CZ2 4.01Å; A213-W280 HydrophobicContact CB-CZ3 3.51Å
214	P	98.8	Very high	98.7	Very high	64 Å²	64	57.2 Å²	57.2	42%	0.416	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-53.2	118.6	178.1	-25.9	33.8	0	0	0	110.6	P183 P216 W280	P183-P214 WeakPolarHBondContact CB-O 3.35Å; P214-P216 WeakPolarHBondContact O-CD 3.28Å; P214-W280 VanDerWaalsContact CD-NE1 3.26Å
215	K	98.8	Very high	98.5	Very high	71 Å²	71	56 Å²	56	31%	0.309	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-71.1	119.6	-179.5	-163.1	69.4	177.3	171.8	0	108.8	P183 F190 A213	P183-K215 WeakPolarHBondContact O-CE 3.32Å; P183-K215 PolarHBondContact O-NZ 3.35Å; F190-K215 HydrophobicContact CE1-CG 4.28Å; F190-K215 HydrophobicContact CE2-CG 3.85Å; F190-K215 HydrophobicContact CZ-CG 3.69Å; F190-K215 WeakPolarHBondContact O-CE 3.47Å; F190-K215 PolarHBondContact O-NZ 3.18Å; A213-K215 PolarHBondContact O-N 2.98Å; A213-K215 VanDerWaalsContact O-N 3.08Å
216	P	98.8	Very high	98.4	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.019	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-66.2	150.7	179.8	25.5	-34.5	0	0	0	109.6	P183 F190 P214 M218 L222 E250	P183-P216 HydrophobicContact CB-CG 4.15Å; F190-P216 VanDerWaalsContact CE2-O 3.29Å; F190-P216 WeakPolarHBondContact CE2-O 3.48Å; P214-P216 WeakPolarHBondContact O-CD 3.28Å; P216-M218 HydrophobicContact CB-CG 4.13Å; P216-M218 HydrophobicContact CG-CE 3.76Å; P216-M218 HydrophobicContact CG-CG 3.84Å; P216-M218 PolarHBondContact O-N 3.26Å; P216-L222 HydrophobicContact CB-CD2 4.26Å; P216-E250 VanDerWaalsContact CA-OE2 3.23Å; P216-E250 WeakPolarHBondContact CA-OE2 3.45Å; P216-E250 HydrophobicContact CB-CG 3.85Å; P216-E250 WeakPolarHBondContact CB-OE1 3.46Å
217	T	98.8	Very high	98.2	Very high	54 Å²	54	50.6 Å²	50.6	33%	0.331	28%	0.278	S	S	.	.			trans	-61.5	-31.4	168.7	66	0	0	0	0	111.4	F158 A219 E250	F158-T217 WeakPolarHBondContact CE1-O 3.43Å; T217-A219 PolarHBondContact O-N 3.46Å; T217-A219 PolarHBondContact OG1-N 3.13Å; T217-E250 PolarHBondContact N-OE1 3.1Å; T217-E250 PolarHBondContact N-OE2 3.3Å; T217-E250 PolarHBondContact OG1-OE1 2.71Å
218	M	98.8	Very high	98	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.275	C	S	.	.			trans	55.1	32.5	-170.5	-57.2	-174.7	179.6	0	0	112.2	F158 M184 R187 F190 P216 L222 Y223 E250	F158-M218 HydrophobicContact CD1-CB 4.1Å; F158-M218 HydrophobicContact CE1-CB 3.79Å; F158-M218 HydrophobicContact CZ-SD 4.47Å; M184-M218 HydrophobicContact CB-CE 4.11Å; M184-M218 WeakPolarHBondContact O-CE 3.44Å; R187-M218 HydrophobicContact CG-CB 4.08Å; R187-M218 HydrophobicContact CG-SD 4.28Å; R187-M218 VanDerWaalsContact CZ-O 3.31Å; R187-M218 PolarHBondContact NE-O 3.01Å; R187-M218 PolarHBondContact NH2-O 3.05Å; F190-M218 HydrophobicContact CD2-CE 4.17Å; F190-M218 HydrophobicContact CD2-CG 4.36Å; F190-M218 HydrophobicContact CD2-SD 3.83Å; P216-M218 HydrophobicContact CB-CG 4.13Å; P216-M218 HydrophobicContact CG-CE 3.76Å; P216-M218 HydrophobicContact CG-CG 3.84Å; P216-M218 PolarHBondContact O-N 3.26Å; M218-L222 HydrophobicContact CB-CD2 4.36Å; M218-L222 HydrophobicContact CG-CD2 4.07Å; M218-Y223 HydrophobicContact CB-CE2 4.34Å; M218-Y223 WeakPolarHBondContact CB-OH 3.32Å; M218-E250 PolarHBondContact N-OE1 3.06Å
219	A	98.8	Very high	97.7	Very high	17 Å²	17	51.7 Å²	51.7	14%	0.14	28%	0.275	C	S	.	.			trans	-61.1	167.1	168.7	0	0	0	0	0	111	D157 T217 D221 L222	D157-A219 HydrophobicContact CB-CB 4.17Å; T217-A219 PolarHBondContact O-N 3.46Å; T217-A219 PolarHBondContact OG1-N 3.13Å; A219-D221 PolarHBondContact O-N 2.91Å; A219-D221 VanDerWaalsContact O-N 3.13Å; A219-L222 WeakPolarHBondContact O-CB 3.33Å; A219-L222 PolarHBondContact O-N 2.83Å
220	D	98.8	Very high	97.2	Very high	89 Å²	89	56.3 Å²	56.3	48%	0.476	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-58.2	-29.3	-176.7	-70.4	-20.7	0	0	0	112.6	R187 L222 Y223 Q225	R187-D220 IonicContact CZ-OD1 3.1Å; R187-D220 IonicContact NH1-OD1 2.67Å; R187-D220 PolarHBondContact NH1-OD1 2.71Å; R187-D220 IonicContact NH2-OD1 3.24Å; R187-D220 PolarHBondContact NH2-OD1 3.32Å; D220-L222 PolarHBondContact O-N 3.19Å; D220-Y223 PolarHBondContact O-N 3.23Å; D220-Q225 PolarHBondContact O-NE2 3.38Å
221	D	98.7	Very high	96.8	Very high	106 Å²	106	54.8 Å²	54.8	57%	0.567	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-63.5	-21.1	178	-69.4	-21.8	0	0	0	114.1	A219 Y223 T247 H249	A219-D221 PolarHBondContact O-N 2.91Å; A219-D221 VanDerWaalsContact O-N 3.13Å; D221-Y223 PolarHBondContact O-N 3.46Å; D221-T247 WeakPolarHBondContact O-CG2 3.41Å; D221-T247 PolarHBondContact O-OG1 2.84Å; D221-H249 HydrophobicContact CB-CB 4.36Å; D221-H249 WeakPolarHBondContact CB-ND1 3.41Å; D221-H249 WeakPolarHBondContact O-CB 3.34Å; D221-H249 IonicContact OD2-CE1 3.56Å; D221-H249 PolarHBondContact OD2-CE1 3.19Å; D221-H249 IonicContact OD2-ND1 2.71Å
222	L	98.9	Very high	96.3	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-70.1	-19.2	173.5	-177	58.4	0	0	0	111.8	P216 M218 A219 D220 T246 T247 E250 C252	P216-L222 HydrophobicContact CB-CD2 4.26Å; M218-L222 HydrophobicContact CB-CD2 4.36Å; M218-L222 HydrophobicContact CG-CD2 4.07Å; A219-L222 WeakPolarHBondContact O-CB 3.33Å; A219-L222 PolarHBondContact O-N 2.83Å; D220-L222 PolarHBondContact O-N 3.19Å; L222-T246 CarbonylContact O-C 3.56Å; L222-T246 WeakPolarHBondContact O-CA 3.33Å; L222-T247 PolarHBondContact O-N 3.31Å; L222-T247 PolarHBondContact O-OG1 2.96Å; L222-E250 HydrophobicContact CD1-CG 4.05Å; L222-C252 HydrophobicContact CD1-CB 4.4Å; L222-C252 HydrophobicContact CD2-CB 4.35Å
223	Y	98.8	Very high	95.7	Very high	7 Å²	7	56.8 Å²	56.8	3%	0.027	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-121.9	136.5	-173.7	-45.7	-79.1	0	0	0	112.4	V93 E94 A185 R187 M218 D220 D221 Q225 V245 T246	V93-Y223 HydrophobicContact CG1-CG 4.27Å; E94-Y223 HydrophobicContact CB-CD1 4.04Å; E94-Y223 HydrophobicContact CB-CE1 3.9Å; E94-Y223 HydrophobicContact CG-CE1 4.06Å; A185-Y223 VanDerWaalsContact O-CE1 3.28Å; A185-Y223 WeakPolarHBondContact O-CE1 3.24Å; A185-Y223 PolarHBondContact O-OH 3.22Å; R187-Y223 HydrophobicContact CG-CE2 4.4Å; M218-Y223 HydrophobicContact CB-CE2 4.34Å; M218-Y223 WeakPolarHBondContact CB-OH 3.32Å; D220-Y223 PolarHBondContact O-N 3.23Å; D221-Y223 PolarHBondContact O-N 3.46Å; Y223-Q225 PolarHBondContact O-N 3.11Å; Y223-V245 CarbonylContact C-O 3.55Å; Y223-V245 VanDerWaalsContact CA-O 3.24Å; Y223-V245 WeakPolarHBondContact CA-O 3.34Å; Y223-T246 HydrophobicContact CD1-CG2 4.41Å; Y223-T246 HydrophobicContact CE1-CG2 4.47Å
224	D	98	Very high	95.2	Very high	61 Å²	61	58.6 Å²	58.6	33%	0.326	30%	0.301	S	S	.	.			trans	-71.2	94.7	163.4	-177.4	1.7	0	0	0	108.7	V93 D226 Y227 V245	V93-D224 WeakPolarHBondContact CG2-O 3.19Å; D224-D226 PolarHBondContact O-N 3.41Å; D224-D226 PolarHBondContact OD1-N 2.75Å; D224-Y227 HydrophobicContact CB-CD2 4.46Å; D224-Y227 WeakPolarHBondContact O-CB 3.09Å; D224-Y227 PolarHBondContact O-N 2.82Å; D224-Y227 PolarHBondContact OD1-N 3.29Å; D224-V245 PolarHBondContact N-O 3.17Å
225	Q	96.5	Very high	94.7	Very high	92 Å²	92	55.5 Å²	55.5	43%	0.43	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.1	-177.8	-58.6	-61.1	-30.9	0	0	112.5	D220 Y223	D220-Q225 PolarHBondContact O-NE2 3.38Å; Y223-Q225 PolarHBondContact O-N 3.11Å
226	D	94.8	Very high	94.1	Very high	144 Å²	144	55.2 Å²	55.2	77%	0.77	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	18.9	179	-67.8	-43.6	0	0	0	112.1	D224 P228	D224-D226 PolarHBondContact O-N 3.41Å; D224-D226 PolarHBondContact OD1-N 2.75Å; D226-P228 WeakPolarHBondContact O-CD 3.46Å
227	Y	95.1	Very high	93.7	Very high	10 Å²	10	60.8 Å²	60.8	4%	0.039	30%	0.304	C	S	.	.			trans	-50.4	114.2	-177.5	-173	-117.5	0	0	0	110.6	A97 D224 I229 L238 K243 F244 V245 Q271	A97-Y227 HydrophobicContact CB-CD1 4.04Å; A97-Y227 HydrophobicContact CB-CE1 4Å; D224-Y227 HydrophobicContact CB-CD2 4.46Å; D224-Y227 WeakPolarHBondContact O-CB 3.09Å; D224-Y227 PolarHBondContact O-N 2.82Å; D224-Y227 PolarHBondContact OD1-N 3.29Å; Y227-I229 HydrophobicContact CD1-CB 3.94Å; Y227-I229 HydrophobicContact CD1-CG2 3.71Å; Y227-I229 HydrophobicContact CE1-CB 4.01Å; Y227-I229 HydrophobicContact CE1-CG2 4.18Å; Y227-I229 PolarHBondContact O-N 3.4Å; Y227-L238 HydrophobicContact CD2-CD1 4.38Å; Y227-L238 HydrophobicContact CE1-CD1 4.2Å; Y227-L238 HydrophobicContact CE2-CB 4.25Å; Y227-L238 HydrophobicContact CE2-CD1 3.76Å; Y227-L238 HydrophobicContact CE2-CG 4.5Å; Y227-K243 PolarHBondContact OH-O 2.93Å; Y227-F244 VanDerWaalsContact CE2-CA 3.47Å; Y227-V245 HydrophobicContact CD1-CB 4.09Å; Y227-V245 HydrophobicContact CD1-CG2 4.43Å; Y227-V245 HydrophobicContact CE1-CB 4.4Å; Y227-V245 HydrophobicContact CG-CB 4.18Å; Y227-V245 HydrophobicContact CG-CG2 4.38Å; Y227-Q271 PolarHBondContact OH-NE2 2.71Å; Y227-Q271 VanDerWaalsContact OH-NE2 3.1Å
228	P	92.5	Very high	93.3	Very high	75 Å²	75	58.9 Å²	58.9	49%	0.487	29%	0.292	S	S	.	.			trans	-83.5	56.3	-160.5	31.6	-36	0	0	0	112.7	D226 L238	D226-P228 WeakPolarHBondContact O-CD 3.46Å; P228-L238 HydrophobicContact CG-CD1 3.9Å; P228-L238 HydrophobicContact CG-CD2 3.88Å
229	I	92.4	Very high	92.9	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.015	30%	0.3	C	S	.	.			trans	-94.8	118	177.2	-170.6	-178.5	0	0	0	111.2	K96 W104 Y227 T231 R235	K96-I229 HydrophobicContact CD-CG2 4.27Å; K96-I229 WeakPolarHBondContact CE-O 3.33Å; K96-I229 HydrophobicContact CG-CG2 4.29Å; K96-I229 PolarHBondContact NZ-O 3.09Å; W104-I229 HydrophobicContact CH2-CG1 4.23Å; W104-I229 HydrophobicContact CZ2-CD1 4.06Å; W104-I229 HydrophobicContact CZ2-CG1 4.22Å; Y227-I229 HydrophobicContact CD1-CB 3.94Å; Y227-I229 HydrophobicContact CD1-CG2 3.71Å; Y227-I229 HydrophobicContact CE1-CB 4.01Å; Y227-I229 HydrophobicContact CE1-CG2 4.18Å; Y227-I229 PolarHBondContact O-N 3.4Å; I229-T231 WeakPolarHBondContact CG1-O 3.44Å; I229-R235 HydrophobicContact CD1-CB 3.83Å; I229-R235 HydrophobicContact CD1-CG 4.33Å; I229-R235 HydrophobicContact CG1-CB 4.2Å
230	R	89.6	Confident	92.4	Very high	203 Å²	203	62 Å²	62	77%	0.766	32%	0.318	S	S	*	.	S	Bend	trans	-115.2	-29.3	170.2	-56	177.6	179.1	173.6	-1.3	112.4	W104 D234	W104-R230 VanDerWaalsContact CH2-C 3.5Å; W104-R230 WeakPolarHBondContact CH2-O 3.34Å; W104-R230 WeakPolarHBondContact CZ3-O 3.49Å; R230-D234 WeakPolarHBondContact CB-OD2 3.25Å; R230-D234 PolarHBondContact N-OD2 3.05Å
231	T	90.1	Very high	92	Very high	47 Å²	47	63.6 Å²	63.6	29%	0.288	32%	0.323	S	S	.	.	S	Bend	trans	-134.7	167.6	173	65.3	0	0	0	0	110	E101 I229 E233 D234 R235	E101-T231 WeakPolarHBondContact OE1-CA 3.36Å; E101-T231 WeakPolarHBondContact OE1-CB 3.41Å; I229-T231 WeakPolarHBondContact CG1-O 3.44Å; T231-E233 PolarHBondContact O-N 2.88Å; T231-E233 PolarHBondContact OG1-N 3.18Å; T231-D234 PolarHBondContact N-OD2 2.71Å; T231-D234 PolarHBondContact O-N 3.23Å; T231-D234 PolarHBondContact OG1-N 3.41Å; T231-R235 PolarHBondContact O-N 2.88Å
232	V	87.1	Confident	91.6	Very high	11 Å²	11	60.7 Å²	60.7	7%	0.067	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-35.8	171.7	161.2	0	0	0	0	111	Y100 E101 D234 R235 H236	Y100-V232 HydrophobicContact CD1-CB 4.33Å; Y100-V232 HydrophobicContact CD1-CG1 4.29Å; Y100-V232 HydrophobicContact CD1-CG2 3.65Å; Y100-V232 HydrophobicContact CE1-CG1 3.97Å; Y100-V232 HydrophobicContact CE1-CG2 4.14Å; Y100-V232 HydrophobicContact CG-CG2 4.22Å; E101-V232 PolarHBondContact OE1-N 2.71Å; E101-V232 WeakPolarHBondContact OE2-CG2 3.47Å; V232-D234 VanDerWaalsContact C-N 3.33Å; V232-D234 PolarHBondContact O-N 2.7Å; V232-R235 VanDerWaalsContact CG1-NH2 3.27Å; V232-R235 VanDerWaalsContact O-CB 3.3Å; V232-R235 WeakPolarHBondContact O-CB 3.5Å; V232-R235 PolarHBondContact O-N 3.2Å; V232-R235 VanDerWaalsContact O-N 3.11Å; V232-H236 WeakPolarHBondContact CG1-NE2 3.32Å; V232-H236 PolarHBondContact O-CD2 3.03Å; V232-H236 PolarHBondContact O-N 2.78Å; V232-H236 PolarHBondContact O-NE2 3Å
233	E	87.5	Confident	91.4	Very high	129 Å²	129	66 Å²	66	60%	0.603	34%	0.341	S	S	*	.	H	α-helix	trans	-58.9	-38.3	174.7	-73.2	-173.7	160.9	0	0	114.2	T231 R235 H236 K237	T231-E233 PolarHBondContact O-N 2.88Å; T231-E233 PolarHBondContact OG1-N 3.18Å; E233-R235 VanDerWaalsContact C-N 3.3Å; E233-R235 PolarHBondContact O-N 2.87Å; E233-H236 WeakPolarHBondContact O-CB 3.43Å; E233-H236 PolarHBondContact O-N 2.82Å; E233-H236 VanDerWaalsContact O-N 3.14Å; E233-K237 PolarHBondContact O-N 2.84Å
234	D	88.4	Confident	91.3	Very high	44 Å²	44	66.7 Å²	66.7	24%	0.235	34%	0.344	C	S	.	.	H	α-helix	trans	-61.5	-42.8	176.7	-68.7	-27	0	0	0	110.7	R230 T231 V232 H236 K237 L238	R230-D234 WeakPolarHBondContact CB-OD2 3.25Å; R230-D234 PolarHBondContact N-OD2 3.05Å; T231-D234 PolarHBondContact N-OD2 2.71Å; T231-D234 PolarHBondContact O-N 3.23Å; T231-D234 PolarHBondContact OG1-N 3.41Å; V232-D234 VanDerWaalsContact C-N 3.33Å; V232-D234 PolarHBondContact O-N 2.7Å; D234-H236 PolarHBondContact O-N 3.22Å; D234-K237 PolarHBondContact O-N 3.39Å; D234-K237 VanDerWaalsContact O-N 3.15Å; D234-L238 VanDerWaalsContact O-CG 3.31Å; D234-L238 WeakPolarHBondContact O-CG 3.41Å; D234-L238 PolarHBondContact O-N 3.2Å
235	R	88	Confident	91.3	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.5	-36.1	175	-173.8	-178.7	62.4	-155.6	-8.9	112	A97 I229 T231 V232 E233 K237 L238 A239 P299 N300	A97-R235 WeakPolarHBondContact O-CD 3.45Å; A97-R235 PolarHBondContact O-NH1 3.41Å; I229-R235 HydrophobicContact CD1-CB 3.83Å; I229-R235 HydrophobicContact CD1-CG 4.33Å; I229-R235 HydrophobicContact CG1-CB 4.2Å; T231-R235 PolarHBondContact O-N 2.88Å; V232-R235 VanDerWaalsContact CG1-NH2 3.27Å; V232-R235 VanDerWaalsContact O-CB 3.3Å; V232-R235 WeakPolarHBondContact O-CB 3.5Å; V232-R235 PolarHBondContact O-N 3.2Å; V232-R235 VanDerWaalsContact O-N 3.11Å; E233-R235 VanDerWaalsContact C-N 3.3Å; E233-R235 PolarHBondContact O-N 2.87Å; R235-K237 VanDerWaalsContact C-N 3.34Å; R235-L238 PolarHBondContact O-N 2.76Å; R235-A239 WeakPolarHBondContact O-CB 3.26Å; R235-A239 PolarHBondContact O-N 2.96Å; R235-P299 VanDerWaalsContact CZ-O 3.24Å; R235-P299 PolarHBondContact NE-O 3.1Å; R235-P299 PolarHBondContact NH2-O 2.79Å; R235-N300 PolarHBondContact NH1-ND2 2.9Å; R235-N300 PolarHBondContact NH1-OD1 2.84Å; R235-N300 PolarHBondContact NH2-ND2 3.05Å; R235-N300 PolarHBondContact NH2-OD1 3.49Å
236	H	86.9	Confident	91.4	Very high	64 Å²	64	59.5 Å²	59.5	30%	0.296	31%	0.308	S	S	.	.	H	α-helix	trans	-65.1	-43.8	178.9	-54.8	178	0	0	0	110.5	V232 E233 D234 L238 A239 A240 P299	V232-H236 WeakPolarHBondContact CG1-NE2 3.32Å; V232-H236 PolarHBondContact O-CD2 3.03Å; V232-H236 PolarHBondContact O-N 2.78Å; V232-H236 PolarHBondContact O-NE2 3Å; E233-H236 WeakPolarHBondContact O-CB 3.43Å; E233-H236 PolarHBondContact O-N 2.82Å; E233-H236 VanDerWaalsContact O-N 3.14Å; D234-H236 PolarHBondContact O-N 3.22Å; H236-L238 VanDerWaalsContact C-N 3.32Å; H236-A239 PolarHBondContact O-N 2.84Å; H236-A240 VanDerWaalsContact O-CB 3.31Å; H236-A240 WeakPolarHBondContact O-CB 3.3Å; H236-A240 PolarHBondContact O-N 2.89Å; H236-P299 WeakPolarHBondContact CD2-CA 3.45Å; H236-P299 VanDerWaalsContact CD2-CB 3.41Å; H236-P299 WeakPolarHBondContact CD2-CB 3.46Å; H236-P299 PolarHBondContact CD2-O 2.81Å; H236-P299 WeakPolarHBondContact CE1-CB 3.4Å; H236-P299 WeakPolarHBondContact NE2-CA 3.17Å; H236-P299 WeakPolarHBondContact NE2-CB 3.4Å; H236-P299 PolarHBondContact NE2-O 2.88Å
237	K	89.6	Confident	91.6	Very high	120 Å²	120	54.8 Å²	54.8	52%	0.522	29%	0.285	S	S	.	.	H	α-helix	trans	-64	-41.8	178.6	-66.2	172	-172.5	161.5	0	110.3	E233 D234 R235 A240 Q241	E233-K237 PolarHBondContact O-N 2.84Å; D234-K237 PolarHBondContact O-N 3.39Å; D234-K237 VanDerWaalsContact O-N 3.15Å; R235-K237 VanDerWaalsContact C-N 3.34Å; K237-A240 PolarHBondContact O-N 3.27Å; K237-Q241 VanDerWaalsContact O-CG 3.26Å; K237-Q241 WeakPolarHBondContact O-CG 3.4Å; K237-Q241 PolarHBondContact O-N 2.9Å
238	L	91.2	Very high	91.7	Very high	14 Å²	14	57.8 Å²	57.8	7%	0.073	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-50	176.4	-67.4	168.1	0	0	0	111.7	Y227 P228 D234 R235 H236 A240 Q241 G242 K243	Y227-L238 HydrophobicContact CD2-CD1 4.38Å; Y227-L238 HydrophobicContact CE1-CD1 4.2Å; Y227-L238 HydrophobicContact CE2-CB 4.25Å; Y227-L238 HydrophobicContact CE2-CD1 3.76Å; Y227-L238 HydrophobicContact CE2-CG 4.5Å; P228-L238 HydrophobicContact CG-CD1 3.9Å; P228-L238 HydrophobicContact CG-CD2 3.88Å; D234-L238 VanDerWaalsContact O-CG 3.31Å; D234-L238 WeakPolarHBondContact O-CG 3.41Å; D234-L238 PolarHBondContact O-N 3.2Å; R235-L238 PolarHBondContact O-N 2.76Å; H236-L238 VanDerWaalsContact C-N 3.32Å; L238-A240 VanDerWaalsContact C-N 3.28Å; L238-A240 PolarHBondContact O-N 2.83Å; L238-Q241 CarbonylContact O-C 3.39Å; L238-Q241 WeakPolarHBondContact O-CA 3.23Å; L238-Q241 WeakPolarHBondContact O-CB 3.28Å; L238-Q241 PolarHBondContact O-N 2.54Å; L238-G242 PolarHBondContact O-N 3.49Å; L238-K243 CarbonylContact C-O 3.57Å; L238-K243 HydrophobicContact CB-CB 4.1Å; L238-K243 HydrophobicContact CD2-CB 4.19Å; L238-K243 HydrophobicContact CD2-CD 3.89Å; L238-K243 PolarHBondContact O-N 2.94Å
239	A	89.8	Confident	92	Very high	20 Å²	20	58.7 Å²	58.7	17%	0.165	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-38.9	177.9	0	0	0	0	0	111.8	R235 H236 Q241 G242 K243 F244 P301	R235-A239 WeakPolarHBondContact O-CB 3.26Å; R235-A239 PolarHBondContact O-N 2.96Å; H236-A239 PolarHBondContact O-N 2.84Å; A239-Q241 PolarHBondContact O-N 2.76Å; A239-G242 PolarHBondContact O-N 3.36Å; A239-K243 PolarHBondContact N-O 2.77Å; A239-F244 HydrophobicContact CB-CE1 4.03Å; A239-F244 HydrophobicContact CB-CZ 4.2Å; A239-P301 HydrophobicContact CB-CG 4.13Å
240	A	88.3	Confident	92.3	Very high	63 Å²	63	59.8 Å²	59.8	52%	0.521	30%	0.301	S	S	.	.	H	α-helix	trans	-64.7	-24.8	174.3	0	0	0	0	0	113.6	H236 K237 L238 G242	H236-A240 VanDerWaalsContact O-CB 3.31Å; H236-A240 WeakPolarHBondContact O-CB 3.3Å; H236-A240 PolarHBondContact O-N 2.89Å; K237-A240 PolarHBondContact O-N 3.27Å; L238-A240 VanDerWaalsContact C-N 3.28Å; L238-A240 PolarHBondContact O-N 2.83Å; A240-G242 VanDerWaalsContact C-N 3.33Å
241	Q	90.8	Very high	92.8	Very high	123 Å²	123	51.4 Å²	51.4	58%	0.575	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	1.6	172.4	-65.4	166.6	22.1	0	0	112.9	K237 L238 A239 K243	K237-Q241 VanDerWaalsContact O-CG 3.26Å; K237-Q241 WeakPolarHBondContact O-CG 3.4Å; K237-Q241 PolarHBondContact O-N 2.9Å; L238-Q241 CarbonylContact O-C 3.39Å; L238-Q241 WeakPolarHBondContact O-CA 3.23Å; L238-Q241 WeakPolarHBondContact O-CB 3.28Å; L238-Q241 PolarHBondContact O-N 2.54Å; A239-Q241 PolarHBondContact O-N 2.76Å; Q241-K243 VanDerWaalsContact C-N 3.3Å; Q241-K243 HydrophobicContact CB-CG 4.33Å
242	G	89.8	Confident	93.2	Very high	44 Å²	44	49.2 Å²	49.2	45%	0.454	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	16.3	-174.9	0	0	0	0	0	114.1	L238 A239 A240 F244	L238-G242 PolarHBondContact O-N 3.49Å; A239-G242 PolarHBondContact O-N 3.36Å; A240-G242 VanDerWaalsContact C-N 3.33Å; G242-F244 WeakPolarHBondContact O-CD2 3.4Å
243	K	93.8	Very high	93.8	Very high	113 Å²	113	48.8 Å²	48.8	49%	0.491	26%	0.257	S	S	.	.			trans	-100.6	132.7	178.7	-63.6	-178.9	179.7	176.9	0	110.8	Y227 L238 A239 Q241	Y227-K243 PolarHBondContact OH-O 2.93Å; L238-K243 CarbonylContact C-O 3.57Å; L238-K243 HydrophobicContact CB-CB 4.1Å; L238-K243 HydrophobicContact CD2-CB 4.19Å; L238-K243 HydrophobicContact CD2-CD 3.89Å; L238-K243 PolarHBondContact O-N 2.94Å; A239-K243 PolarHBondContact N-O 2.77Å; Q241-K243 VanDerWaalsContact C-N 3.3Å; Q241-K243 HydrophobicContact CB-CG 4.33Å
244	F	96.9	Very high	94.3	Very high	21 Å²	21	42.6 Å²	42.6	9%	0.092	23%	0.228	C	C	.	.			trans	-147.8	165.6	-177.4	-57.9	-107.6	0	0	0	108.6	Y227 A239 G242 T246 R269 Q271 P301	Y227-F244 VanDerWaalsContact CE2-CA 3.47Å; A239-F244 HydrophobicContact CB-CE1 4.03Å; A239-F244 HydrophobicContact CB-CZ 4.2Å; G242-F244 WeakPolarHBondContact O-CD2 3.4Å; F244-T246 VanDerWaalsContact C-N 3.28Å; F244-T246 PolarHBondContact O-N 3.4Å; F244-R269 VanDerWaalsContact CD2-NH2 3.34Å; F244-R269 VanDerWaalsContact CZ-CD 3.41Å; F244-Q271 HydrophobicContact CD1-CG 4.42Å; F244-P301 HydrophobicContact CD1-CG 4.33Å; F244-P301 HydrophobicContact CE1-CB 4.41Å; F244-P301 HydrophobicContact CE1-CG 3.83Å
245	V	98.1	Very high	94.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-64.8	-33.1	-179	72.1	0	0	0	0	112.2	V93 E94 A97 Y223 D224 Y227 Q271	V93-V245 HydrophobicContact CB-CG2 4.32Å; V93-V245 HydrophobicContact CG1-CG2 3.93Å; V93-V245 HydrophobicContact CG2-CG2 3.76Å; E94-V245 HydrophobicContact CB-CG1 4.35Å; A97-V245 HydrophobicContact CB-CB 3.68Å; A97-V245 HydrophobicContact CB-CG1 3.76Å; A97-V245 HydrophobicContact CB-CG2 4.06Å; Y223-V245 CarbonylContact C-O 3.55Å; Y223-V245 VanDerWaalsContact CA-O 3.24Å; Y223-V245 WeakPolarHBondContact CA-O 3.34Å; D224-V245 PolarHBondContact N-O 3.17Å; Y227-V245 HydrophobicContact CD1-CB 4.09Å; Y227-V245 HydrophobicContact CD1-CG2 4.43Å; Y227-V245 HydrophobicContact CE1-CB 4.4Å; Y227-V245 HydrophobicContact CG-CB 4.18Å; Y227-V245 HydrophobicContact CG-CG2 4.38Å; V245-Q271 HydrophobicContact CG1-CB 4.15Å
246	T	98.6	Very high	95.3	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-85.7	131.7	176.2	41.9	0	0	0	0	111.8	A185 L222 Y223 F244 R269 Q271	A185-T246 HydrophobicContact CB-CG2 4.26Å; L222-T246 CarbonylContact O-C 3.56Å; L222-T246 WeakPolarHBondContact O-CA 3.33Å; Y223-T246 HydrophobicContact CD1-CG2 4.41Å; Y223-T246 HydrophobicContact CE1-CG2 4.47Å; F244-T246 VanDerWaalsContact C-N 3.28Å; F244-T246 PolarHBondContact O-N 3.4Å; T246-R269 PolarHBondContact O-NH2 3.31Å; T246-R269 PolarHBondContact OG1-NH1 2.67Å; T246-Q271 WeakPolarHBondContact CB-O 3.36Å; T246-Q271 WeakPolarHBondContact CG2-O 3.35Å; T246-Q271 PolarHBondContact OG1-O 3.22Å
247	T	98.6	Very high	95.9	Very high	45 Å²	45	37.6 Å²	37.6	28%	0.276	20%	0.204	S	C	.	.			trans	-84.1	-177.8	172.7	74.3	0	0	0	0	110.8	D221 L222 H249 N274	D221-T247 WeakPolarHBondContact O-CG2 3.41Å; D221-T247 PolarHBondContact O-OG1 2.84Å; L222-T247 PolarHBondContact O-N 3.31Å; L222-T247 PolarHBondContact O-OG1 2.96Å; T247-H249 WeakPolarHBondContact OG1-CB 3.38Å; T247-H249 PolarHBondContact OG1-N 3Å; T247-N274 PolarHBondContact O-ND2 2.89Å
248	E	98.6	Very high	96.3	Very high	73 Å²	73	32.1 Å²	32.1	34%	0.341	18%	0.18	S	C	.	.	S	Bend	trans	-101.5	37.1	170.2	-58.3	-65.1	156.3	0	0	110.6	N274 Y275 M276	E248-N274 WeakPolarHBondContact OE1-CB 3.34Å; E248-Y275 VanDerWaalsContact OE1-CD2 3.29Å; E248-Y275 WeakPolarHBondContact OE1-CD2 3.25Å; E248-Y275 PolarHBondContact OE1-N 3.39Å; E248-Y275 PolarHBondContact OE2-N 2.82Å; E248-M276 HydrophobicContact CB-CG 4.4Å; E248-M276 HydrophobicContact CB-SD 4.31Å; E248-M276 WeakPolarHBondContact OE2-CG 3.48Å; E248-M276 PolarHBondContact OE2-N 2.89Å
249	H	98.7	Very high	96.7	Very high	93 Å²	93	31.5 Å²	31.5	43%	0.431	18%	0.177	S	C	.	.	S	Bend	trans	-69.2	-43.1	178.1	-178.1	83.3	0	0	0	112	D221 T247	D221-H249 HydrophobicContact CB-CB 4.36Å; D221-H249 WeakPolarHBondContact CB-ND1 3.41Å; D221-H249 WeakPolarHBondContact O-CB 3.34Å; D221-H249 IonicContact OD2-CE1 3.56Å; D221-H249 PolarHBondContact OD2-CE1 3.19Å; D221-H249 IonicContact OD2-ND1 2.71Å; T247-H249 WeakPolarHBondContact OG1-CB 3.38Å; T247-H249 PolarHBondContact OG1-N 3Å
250	E	98.8	Very high	97.1	Very high	26 Å²	26	30.6 Å²	30.6	12%	0.121	17%	0.169	C	C	.	.	S	Bend	trans	-151.6	162.2	178.6	59.6	-178.2	161.2	0	0	110.8	P216 T217 M218 L222 C252 N274	P216-E250 VanDerWaalsContact CA-OE2 3.23Å; P216-E250 WeakPolarHBondContact CA-OE2 3.45Å; P216-E250 HydrophobicContact CB-CG 3.85Å; P216-E250 WeakPolarHBondContact CB-OE1 3.46Å; T217-E250 PolarHBondContact N-OE1 3.1Å; T217-E250 PolarHBondContact N-OE2 3.3Å; T217-E250 PolarHBondContact OG1-OE1 2.71Å; M218-E250 PolarHBondContact N-OE1 3.06Å; L222-E250 HydrophobicContact CD1-CG 4.05Å; E250-C252 PolarHBondContact O-N 3.2Å; E250-N274 PolarHBondContact O-ND2 2.91Å
251	P	98.9	Very high	97.6	Very high	28 Å²	28	27.7 Å²	27.7	18%	0.182	15%	0.145	C	C	.	.			trans	-63.1	124.9	179.6	-19.8	32.3	0	0	0	112.4	M276	P251-M276 HydrophobicContact CB-CB 4.32Å; P251-M276 HydrophobicContact CG-CB 4.23Å; P251-M276 HydrophobicContact CG-CE 4.15Å
252	C	98.9	Very high	98	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.			trans	-140.4	143.2	168.7	74.8	0	0	0	0	110.7	A185 L222 E250 V272 T273 N274	A185-C252 HydrophobicContact CB-CB 4.03Å; L222-C252 HydrophobicContact CD1-CB 4.4Å; L222-C252 HydrophobicContact CD2-CB 4.35Å; E250-C252 PolarHBondContact O-N 3.2Å; C252-V272 CarbonylContact C-O 3.56Å; C252-V272 PolarHBondContact SG-O 2.98Å; C252-T273 WeakPolarHBondContact O-CA 3.26Å; C252-N274 PolarHBondContact N-OD1 3.32Å; C252-N274 VanDerWaalsContact N-OD1 3.17Å; C252-N274 PolarHBondContact O-N 3.31Å; C252-N274 VanDerWaalsContact O-N 3.07Å; C252-N274 PolarHBondContact O-OD1 3.44Å
253	F	98.9	Very high	98.4	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	11%	0.113	C	C	.	.			trans	-164.8	153	174.8	65.4	-90.3	0	0	0	111.3	A182 P183 M184 A213 F258 V272 T273 W280 M281	A182-F253 HydrophobicContact CB-CD2 3.97Å; A182-F253 HydrophobicContact CB-CE2 3.72Å; P183-F253 VanDerWaalsContact CD-CD1 3.46Å; P183-F253 WeakPolarHBondContact CD-O 3.35Å; P183-F253 HydrophobicContact CG-CD1 3.43Å; P183-F253 VanDerWaalsContact CG-CD1 3.43Å; P183-F253 HydrophobicContact CG-CD2 4.5Å; P183-F253 HydrophobicContact CG-CE1 3.56Å; P183-F253 HydrophobicContact CG-CG 3.94Å; P183-F253 HydrophobicContact CG-CZ 4.16Å; M184-F253 WeakPolarHBondContact CA-O 3.36Å; M184-F253 PolarHBondContact N-O 3.3Å; A213-F253 HydrophobicContact CB-CE1 3.84Å; A213-F253 HydrophobicContact CB-CZ 3.76Å; F253-F258 HydrophobicContact CB-CE2 4.15Å; F253-F258 HydrophobicContact CD2-CD2 4.39Å; F253-F258 AromaticContact CD2-CE2 3.65Å; F253-F258 HydrophobicContact CD2-CE2 3.65Å; F253-F258 HydrophobicContact CD2-CZ 4.42Å; F253-F258 HydrophobicContact CE2-CE2 4.28Å; F253-F258 HydrophobicContact CG-CE2 4.06Å; F253-V272 VanDerWaalsContact CA-O 3.25Å; F253-V272 WeakPolarHBondContact CA-O 3.38Å; F253-V272 PolarHBondContact N-O 3.02Å; F253-T273 WeakPolarHBondContact CA-OG1 3.37Å; F253-T273 HydrophobicContact CB-CG2 3.66Å; F253-T273 WeakPolarHBondContact CB-OG1 3.11Å; F253-W280 AromaticContact CE1-CE3 3.71Å; F253-W280 HydrophobicContact CE1-CE3 3.71Å; F253-W280 HydrophobicContact CE1-CZ3 4.14Å; F253-W280 AromaticContact CZ-CE3 3.85Å; F253-W280 HydrophobicContact CZ-CE3 3.85Å; F253-W280 AromaticContact CZ-CZ3 3.83Å; F253-W280 HydrophobicContact CZ-CZ3 3.83Å; F253-M281 HydrophobicContact CE1-CG 4.02Å; F253-M281 HydrophobicContact CE1-SD 4.38Å; F253-M281 HydrophobicContact CE2-CG 4.08Å; F253-M281 HydrophobicContact CE2-SD 3.96Å; F253-M281 HydrophobicContact CZ-CG 3.74Å; F253-M281 HydrophobicContact CZ-SD 3.6Å; F253-M281 VanDerWaalsContact CZ-SD 3.6Å
254	D	98.9	Very high	98.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.			trans	-99.2	139.7	161.5	-78.4	17.8	0	0	0	107.9	D170 M184 R189 A256 D257 V272 T273 H303	D170-D254 CarbonylContact O-C 3.53Å; D170-D254 WeakPolarHBondContact O-CA 3.48Å; M184-D254 WeakPolarHBondContact CE-OD1 3.31Å; R189-D254 IonicContact NH1-OD2 3.39Å; R189-D254 PolarHBondContact NH1-OD2 3.2Å; D254-A256 PolarHBondContact O-N 3.15Å; D254-D257 PolarHBondContact O-N 2.82Å; D254-V272 HydrophobicContact CB-CG2 3.87Å; D254-T273 PolarHBondContact N-OG1 3.05Å; D254-H303 IonicContact OD2-CD2 3.24Å; D254-H303 IonicContact OD2-CE1 3.22Å; D254-H303 IonicContact OD2-NE2 2.71Å; D254-H303 PolarHBondContact OD2-NE2 2.94Å
255	A	98.9	Very high	98.8	Very high	3 Å²	3	18 Å²	18	3%	0.025	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-60.3	-30.3	179.7	0	0	0	0	0	112.5	R169 D170 M173 A182 D257 F258	R169-A255 CarbonylContact O-C 3.57Å; R169-A255 VanDerWaalsContact O-CB 3.24Å; R169-A255 WeakPolarHBondContact O-CB 3.37Å; D170-A255 PolarHBondContact O-N 3.48Å; M173-A255 HydrophobicContact CB-CB 3.97Å; A182-A255 HydrophobicContact CB-CB 4.05Å; A255-D257 PolarHBondContact O-N 2.84Å; A255-F258 WeakPolarHBondContact O-CB 3.44Å; A255-F258 PolarHBondContact O-N 3.07Å
256	A	98.8	Very high	98.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-70.3	-6.8	-180	0	0	0	0	0	114.6	R169 D254 H303 I304	R169-A256 HydrophobicContact CG-CB 3.93Å; R169-A256 PolarHBondContact O-N 2.79Å; D254-A256 PolarHBondContact O-N 3.15Å; A256-H303 HydrophobicContact CB-CB 3.83Å; A256-H303 CarbonylContact O-C 3.51Å; A256-H303 WeakPolarHBondContact O-CA 3.36Å; A256-I304 PolarHBondContact O-N 3.33Å
257	D	98.8	Very high	98.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-78.4	-10.8	166.2	-84.4	-51.1	0	0	0	113.1	D254 A255 V267 Q268 S270 V272 T273 H303 I304	D254-D257 PolarHBondContact O-N 2.82Å; A255-D257 PolarHBondContact O-N 2.84Å; D257-V267 HydrophobicContact CB-CG2 4.31Å; D257-V267 VanDerWaalsContact O-CA 3.31Å; D257-V267 WeakPolarHBondContact O-CA 3.42Å; D257-Q268 HydrophobicContact CB-CG 4.41Å; D257-Q268 PolarHBondContact O-N 2.93Å; D257-Q268 VanDerWaalsContact OD1-CG 3.28Å; D257-Q268 WeakPolarHBondContact OD1-CG 3.18Å; D257-Q268 PolarHBondContact OD1-NE2 3.24Å; D257-S270 VanDerWaalsContact OD1-CB 3.3Å; D257-S270 WeakPolarHBondContact OD1-CB 3.4Å; D257-S270 PolarHBondContact OD1-OG 3.1Å; D257-S270 VanDerWaalsContact OD2-CB 3.26Å; D257-S270 WeakPolarHBondContact OD2-CB 3.23Å; D257-S270 PolarHBondContact OD2-OG 3.38Å; D257-V272 WeakPolarHBondContact OD2-CG2 3.41Å; D257-T273 HydrophobicContact CB-CG2 4.21Å; D257-T273 WeakPolarHBondContact CB-OG1 3.21Å; D257-T273 VanDerWaalsContact OD2-CB 3.24Å; D257-T273 WeakPolarHBondContact OD2-CB 3.29Å; D257-T273 PolarHBondContact OD2-OG1 3.36Å; D257-H303 VanDerWaalsContact OD1-CA 3.23Å; D257-H303 WeakPolarHBondContact OD1-CA 3.36Å; D257-H303 PolarHBondContact OD1-N 2.87Å; D257-I304 WeakPolarHBondContact O-CG2 3.36Å
258	F	98.9	Very high	98.8	Very high	5 Å²	5	16 Å²	16	2%	0.022	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	143.8	175.5	-61.3	-103	0	0	0	110.4	M173 F253 A255 F266 V267 T273 I278 M281 V291	M173-F258 HydrophobicContact CE-CB 4.34Å; M173-F258 HydrophobicContact CE-CG 4.35Å; M173-F258 HydrophobicContact SD-CB 3.72Å; M173-F258 HydrophobicContact SD-CG 4.35Å; F253-F258 HydrophobicContact CB-CE2 4.15Å; F253-F258 HydrophobicContact CD2-CD2 4.39Å; F253-F258 AromaticContact CD2-CE2 3.65Å; F253-F258 HydrophobicContact CD2-CE2 3.65Å; F253-F258 HydrophobicContact CD2-CZ 4.42Å; F253-F258 HydrophobicContact CE2-CE2 4.28Å; F253-F258 HydrophobicContact CG-CE2 4.06Å; A255-F258 WeakPolarHBondContact O-CB 3.44Å; A255-F258 PolarHBondContact O-N 3.07Å; F258-F266 CarbonylContact C-O 3.58Å; F258-F266 VanDerWaalsContact CA-O 3.3Å; F258-F266 WeakPolarHBondContact CA-O 3.39Å; F258-V267 HydrophobicContact CD1-CB 3.61Å; F258-V267 HydrophobicContact CD1-CG1 4.4Å; F258-V267 HydrophobicContact CD1-CG2 3.75Å; F258-V267 HydrophobicContact CD2-CG2 3.98Å; F258-V267 HydrophobicContact CE1-CB 3.66Å; F258-V267 HydrophobicContact CE1-CG1 4.08Å; F258-V267 HydrophobicContact CE1-CG2 3.55Å; F258-V267 HydrophobicContact CE2-CG2 3.78Å; F258-V267 HydrophobicContact CG-CB 4.13Å; F258-V267 HydrophobicContact CG-CG2 3.95Å; F258-V267 HydrophobicContact CZ-CB 4.21Å; F258-V267 HydrophobicContact CZ-CG2 3.56Å; F258-T273 HydrophobicContact CE2-CG2 4.3Å; F258-I278 HydrophobicContact CZ-CG1 4.43Å; F258-M281 HydrophobicContact CE1-CB 3.81Å; F258-M281 HydrophobicContact CE1-CG 3.8Å; F258-M281 HydrophobicContact CE2-CG 4.24Å; F258-M281 HydrophobicContact CZ-CB 3.94Å; F258-M281 HydrophobicContact CZ-CG 3.52Å; F258-V291 HydrophobicContact CE1-CG1 4.05Å
259	I	98.9	Very high	98.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139.3	170.3	-166.2	160.6	0	0	0	110.3	E71 L265 F266 I304 F308 I310	E71-I259 HydrophobicContact CG-CD1 4.28Å; E71-I259 HydrophobicContact CG-CG1 3.73Å; I259-L265 WeakPolarHBondContact O-CA 3.22Å; I259-F266 HydrophobicContact CG2-CB 3.94Å; I259-F266 PolarHBondContact N-O 3.1Å; I259-F266 PolarHBondContact O-N 2.82Å; I259-I304 HydrophobicContact CB-CG2 3.89Å; I259-I304 HydrophobicContact CG2-CD1 4.49Å; I259-I304 HydrophobicContact CG2-CG2 4.01Å; I259-F308 WeakPolarHBondContact CD1-O 3.42Å; I259-I310 HydrophobicContact CD1-CB 4.19Å; I259-I310 HydrophobicContact CD1-CG1 4.04Å; I259-I310 VanDerWaalsContact CD1-N 3.3Å; I259-I310 HydrophobicContact CG1-CB 4.44Å; I259-I310 HydrophobicContact CG1-CD1 4.25Å; I259-I310 HydrophobicContact CG1-CG1 4.23Å; I259-I310 HydrophobicContact CG2-CD1 3.8Å; I259-I310 HydrophobicContact CG2-CG1 4.23Å
260	R	98.8	Very high	98.7	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.008	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	141.9	-167.4	-56	165.9	-64.4	142.9	8.4	112.2	S68 N70 E71 M173 V174 L265 D411	S68-R260 VanDerWaalsContact CB-NH1 3.33Å; S68-R260 PolarHBondContact O-NH1 2.71Å; S68-R260 VanDerWaalsContact O-NH1 3.13Å; S68-R260 PolarHBondContact OG-NH1 3.3Å; S68-R260 PolarHBondContact OG-NH2 2.91Å; N70-R260 PolarHBondContact O-NH2 2.96Å; N70-R260 VanDerWaalsContact O-NH2 3.14Å; E71-R260 VanDerWaalsContact CD-NH2 3.26Å; E71-R260 VanDerWaalsContact OE1-CB 3.31Å; E71-R260 WeakPolarHBondContact OE1-CB 3.4Å; E71-R260 IonicContact OE1-CZ 3.37Å; E71-R260 PolarHBondContact OE1-N 2.73Å; E71-R260 IonicContact OE1-NE 2.76Å; E71-R260 PolarHBondContact OE1-NE 2.86Å; E71-R260 IonicContact OE1-NH2 3.92Å; E71-R260 PolarHBondContact OE1-NH2 3.36Å; E71-R260 IonicContact OE2-CZ 3.56Å; E71-R260 IonicContact OE2-NE 2.79Å; E71-R260 IonicContact OE2-NH2 3.39Å; E71-R260 PolarHBondContact OE2-NH2 2.75Å; M173-R260 HydrophobicContact SD-CG 4.37Å; V174-R260 WeakPolarHBondContact O-CD 3.35Å; V174-R260 PolarHBondContact O-NH1 3.39Å; R260-L265 HydrophobicContact CG-CD2 4.12Å; R260-L265 HydrophobicContact CG-CG 4.03Å; R260-D411 IonicContact CZ-OD2 3.96Å; R260-D411 IonicContact NH1-OD2 2.71Å; R260-D411 VanDerWaalsContact NH2-CG 3.26Å; R260-D411 IonicContact NH2-OD1 3.86Å; R260-D411 PolarHBondContact NH2-OD1 3.29Å; R260-D411 VanDerWaalsContact NH2-OD1 3.09Å; R260-D411 IonicContact NH2-OD2 3.75Å; R260-D411 PolarHBondContact NH2-OD2 3.28Å
261	A	98.7	Very high	98.7	Very high	1 Å²	1	8 Å²	8	1%	0.008	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	63.9	171.9	0	0	0	0	0	109.7	W72 R263 D264 F266 I310 W335 Y421	W72-A261 HydrophobicContact CH2-CB 3.84Å; W72-A261 HydrophobicContact CZ3-CB 4.28Å; A261-R263 PolarHBondContact O-N 2.75Å; A261-D264 CarbonylContact C-O 3.48Å; A261-D264 WeakPolarHBondContact CA-O 3.25Å; A261-D264 PolarHBondContact N-O 2.7Å; A261-D264 PolarHBondContact O-N 2.92Å; A261-F266 HydrophobicContact CB-CE2 4.02Å; A261-I310 HydrophobicContact CB-CD1 4.15Å; A261-W335 HydrophobicContact CB-CH2 3.89Å; A261-W335 HydrophobicContact CB-CZ2 4.37Å; A261-Y421 WeakPolarHBondContact O-CD2 3.48Å
262	G	98.6	Very high	98.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.027	C	C	.	.	B	Isolated β-bridge	trans	69.6	-118.2	-178.4	0	0	0	0	0	111.1	Y69 D264 Y289 E419	Y69-G262 VanDerWaalsContact O-CA 3.27Å; Y69-G262 WeakPolarHBondContact O-CA 3.45Å; Y69-G262 PolarHBondContact O-N 3.31Å; G262-D264 PolarHBondContact O-N 3.18Å; G262-Y289 WeakPolarHBondContact O-CD1 3.32Å; G262-Y289 WeakPolarHBondContact O-CE1 3.21Å; G262-E419 CarbonylContact C-O 3.59Å; G262-E419 WeakPolarHBondContact CA-O 3.37Å
263	R	98.7	Very high	98.7	Very high	94 Å²	94	6.7 Å²	6.7	36%	0.355	3%	0.027	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.7	178.4	-71.5	-173.3	177.5	-77.6	-0.7	114.2	A261 D288 Y289 K290 L418 E419	A261-R263 PolarHBondContact O-N 2.75Å; R263-D288 PolarHBondContact NH1-O 2.96Å; R263-Y289 CarbonylContact O-C 3.6Å; R263-Y289 VanDerWaalsContact O-CA 3.28Å; R263-Y289 WeakPolarHBondContact O-CA 3.36Å; R263-K290 PolarHBondContact O-N 3.21Å; R263-L418 HydrophobicContact CB-CD1 4.49Å; R263-L418 HydrophobicContact CG-CD1 3.69Å; R263-L418 HydrophobicContact CG-CD2 4.21Å; R263-L418 HydrophobicContact CG-CG 3.83Å; R263-E419 WeakPolarHBondContact CG-O 3.44Å; R263-E419 PolarHBondContact N-O 3.04Å
264	D	98.8	Very high	98.7	Very high	3 Å²	3	6.6 Å²	6.6	2%	0.016	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.5	-176.6	-59.8	-79.3	0	0	0	110.1	A261 G262 F266 H292 F422	A261-D264 CarbonylContact C-O 3.48Å; A261-D264 WeakPolarHBondContact CA-O 3.25Å; A261-D264 PolarHBondContact N-O 2.7Å; A261-D264 PolarHBondContact O-N 2.92Å; G262-D264 PolarHBondContact O-N 3.18Å; D264-F266 HydrophobicContact CB-CE2 4.16Å; D264-F266 HydrophobicContact CB-CZ 4.17Å; D264-H292 IonicContact OD1-CD2 2.72Å; D264-H292 IonicContact OD1-CE1 2.72Å; D264-H292 IonicContact OD1-NE2 2.97Å; D264-H292 PolarHBondContact OD1-NE2 3.38Å; D264-F422 HydrophobicContact CB-CB 4.46Å; D264-F422 WeakPolarHBondContact OD2-CB 3.37Å
265	L	98.8	Very high	98.7	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.6	170.7	-74.8	78.1	0	0	0	108.2	M173 V175 I259 R260 L285 Y289 K290 V291 H292	M173-L265 HydrophobicContact CE-CD2 4.11Å; M173-L265 HydrophobicContact SD-CD2 4.11Å; V175-L265 HydrophobicContact CG2-CD2 4.21Å; I259-L265 WeakPolarHBondContact O-CA 3.22Å; R260-L265 HydrophobicContact CG-CD2 4.12Å; R260-L265 HydrophobicContact CG-CG 4.03Å; L265-L285 HydrophobicContact CD1-CD1 4.48Å; L265-L285 HydrophobicContact CD2-CD1 3.83Å; L265-Y289 HydrophobicContact CD1-CD1 3.71Å; L265-Y289 HydrophobicContact CD1-CG 4.14Å; L265-K290 PolarHBondContact N-O 2.91Å; L265-V291 HydrophobicContact CB-CG2 4.38Å; L265-V291 CarbonylContact O-C 3.54Å; L265-V291 WeakPolarHBondContact O-CA 3.31Å; L265-H292 PolarHBondContact O-N 3.08Å
266	F	98.8	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.4	176.5	-59	-86	0	0	0	109.4	F258 I259 A261 D264 H292 I294 I310 M329 F330 W335 F422	F258-F266 CarbonylContact C-O 3.58Å; F258-F266 VanDerWaalsContact CA-O 3.3Å; F258-F266 WeakPolarHBondContact CA-O 3.39Å; I259-F266 HydrophobicContact CG2-CB 3.94Å; I259-F266 PolarHBondContact N-O 3.1Å; I259-F266 PolarHBondContact O-N 2.82Å; A261-F266 HydrophobicContact CB-CE2 4.02Å; D264-F266 HydrophobicContact CB-CE2 4.16Å; D264-F266 HydrophobicContact CB-CZ 4.17Å; F266-H292 WeakPolarHBondContact CA-O 3.11Å; F266-H292 HydrophobicContact CD1-CB 3.8Å; F266-H292 HydrophobicContact CE1-CB 4.06Å; F266-I294 HydrophobicContact CB-CD1 3.86Å; F266-I294 HydrophobicContact CB-CG1 4.29Å; F266-I294 HydrophobicContact CD1-CD1 4.35Å; F266-I294 HydrophobicContact CD1-CG2 4.11Å; F266-I294 HydrophobicContact CG-CD1 4.4Å; F266-I310 HydrophobicContact CD2-CD1 3.71Å; F266-I310 HydrophobicContact CE2-CD1 4.06Å; F266-M329 HydrophobicContact CE1-CE 4.12Å; F266-F330 HydrophobicContact CD1-CE1 4.01Å; F266-F330 AromaticContact CD1-CZ 3.62Å; F266-F330 HydrophobicContact CD1-CZ 3.62Å; F266-F330 HydrophobicContact CD2-CE1 4.48Å; F266-F330 AromaticContact CE1-CE1 3.52Å; F266-F330 HydrophobicContact CE1-CE1 3.52Å; F266-F330 AromaticContact CE1-CZ 3.47Å; F266-F330 HydrophobicContact CE1-CZ 3.47Å; F266-F330 VanDerWaalsContact CE1-CZ 3.47Å; F266-F330 HydrophobicContact CE2-CE1 4.04Å; F266-F330 HydrophobicContact CG-CE1 4.47Å; F266-F330 HydrophobicContact CG-CZ 4.27Å; F266-F330 AromaticContact CZ-CE1 3.54Å; F266-F330 HydrophobicContact CZ-CE1 3.54Å; F266-F330 HydrophobicContact CZ-CZ 4Å; F266-W335 HydrophobicContact CE2-CH2 4.18Å; F266-F422 AromaticContact CZ-CD2 3.98Å; F266-F422 HydrophobicContact CZ-CD2 3.98Å; F266-F422 HydrophobicContact CZ-CE2 4.3Å; F266-F422 HydrophobicContact CZ-CG 4.41Å
267	V	98.8	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.6	-179.2	63.6	0	0	0	0	110.9	D257 F258 T273 I278 V291 H292 I293 I294	D257-V267 HydrophobicContact CB-CG2 4.31Å; D257-V267 VanDerWaalsContact O-CA 3.31Å; D257-V267 WeakPolarHBondContact O-CA 3.42Å; F258-V267 HydrophobicContact CD1-CB 3.61Å; F258-V267 HydrophobicContact CD1-CG1 4.4Å; F258-V267 HydrophobicContact CD1-CG2 3.75Å; F258-V267 HydrophobicContact CD2-CG2 3.98Å; F258-V267 HydrophobicContact CE1-CB 3.66Å; F258-V267 HydrophobicContact CE1-CG1 4.08Å; F258-V267 HydrophobicContact CE1-CG2 3.55Å; F258-V267 HydrophobicContact CE2-CG2 3.78Å; F258-V267 HydrophobicContact CG-CB 4.13Å; F258-V267 HydrophobicContact CG-CG2 3.95Å; F258-V267 HydrophobicContact CZ-CB 4.21Å; F258-V267 HydrophobicContact CZ-CG2 3.56Å; V267-T273 HydrophobicContact CG2-CG2 4.1Å; V267-I278 HydrophobicContact CG1-CD1 4.13Å; V267-I278 HydrophobicContact CG1-CG1 4.05Å; V267-I278 HydrophobicContact CG1-CG2 3.77Å; V267-I278 HydrophobicContact CG2-CD1 4.1Å; V267-I278 HydrophobicContact CG2-CG1 3.86Å; V267-V291 HydrophobicContact CB-CG1 4.44Å; V267-V291 HydrophobicContact CG1-CG1 3.6Å; V267-H292 PolarHBondContact N-O 3.18Å; V267-I293 HydrophobicContact CG1-CG1 4.11Å; V267-I293 CarbonylContact O-C 3.53Å; V267-I293 WeakPolarHBondContact O-CA 3.06Å; V267-I294 PolarHBondContact O-N 2.97Å
268	Q	97.8	Very high	98.7	Very high	4 Å²	4	16 Å²	16	2%	0.019	7%	0.066	C	C	.	.			trans	-109.8	143.3	165.9	66.3	175.9	-7	0	0	111.3	D257 S270 I294 F296 H303 I304	D257-Q268 HydrophobicContact CB-CG 4.41Å; D257-Q268 PolarHBondContact O-N 2.93Å; D257-Q268 VanDerWaalsContact OD1-CG 3.28Å; D257-Q268 WeakPolarHBondContact OD1-CG 3.18Å; D257-Q268 PolarHBondContact OD1-NE2 3.24Å; Q268-S270 PolarHBondContact O-N 3.42Å; Q268-I294 WeakPolarHBondContact CA-O 3.08Å; Q268-F296 HydrophobicContact CB-CD2 4.42Å; Q268-F296 HydrophobicContact CB-CE2 4.15Å; Q268-H303 PolarHBondContact NE2-O 2.87Å; Q268-I304 HydrophobicContact CB-CD1 4.28Å; Q268-I304 HydrophobicContact CG-CB 4.33Å; Q268-I304 HydrophobicContact CG-CD1 4.36Å; Q268-I304 HydrophobicContact CG-CG1 4.35Å
269	R	97.9	Very high	98.7	Very high	25 Å²	25	18.4 Å²	18.4	9%	0.094	8%	0.078	C	C	.	.			trans	-69.7	120.3	160.6	-166.8	-71.7	-162.9	-131.7	1.5	107.3	F244 T246 T273 Y275 I278	F244-R269 VanDerWaalsContact CD2-NH2 3.34Å; F244-R269 VanDerWaalsContact CZ-CD 3.41Å; T246-R269 PolarHBondContact O-NH2 3.31Å; T246-R269 PolarHBondContact OG1-NH1 2.67Å; R269-T273 WeakPolarHBondContact CA-O 3.39Å; R269-T273 WeakPolarHBondContact CG-O 3.47Å; R269-Y275 HydrophobicContact CB-CD1 4.46Å; R269-Y275 HydrophobicContact CB-CE1 3.89Å; R269-Y275 HydrophobicContact CG-CD1 4.23Å; R269-Y275 HydrophobicContact CG-CD2 4.23Å; R269-Y275 HydrophobicContact CG-CE1 3.92Å; R269-Y275 HydrophobicContact CG-CE2 3.92Å; R269-Y275 HydrophobicContact CG-CG 4.38Å; R269-I278 HydrophobicContact CB-CD1 4.21Å
270	S	98.3	Very high	98.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.087	C	C	.	.			trans	-127	178.5	-173.5	90	0	0	0	0	111	D257 Q268 V272 T273 P301	D257-S270 VanDerWaalsContact OD1-CB 3.3Å; D257-S270 WeakPolarHBondContact OD1-CB 3.4Å; D257-S270 PolarHBondContact OD1-OG 3.1Å; D257-S270 VanDerWaalsContact OD2-CB 3.26Å; D257-S270 WeakPolarHBondContact OD2-CB 3.23Å; D257-S270 PolarHBondContact OD2-OG 3.38Å; Q268-S270 PolarHBondContact O-N 3.42Å; S270-V272 PolarHBondContact O-N 3.23Å; S270-V272 WeakPolarHBondContact OG-CG2 3.21Å; S270-V272 PolarHBondContact OG-N 2.84Å; S270-T273 PolarHBondContact N-O 3.31Å; S270-T273 PolarHBondContact O-N 3.15Å; S270-T273 PolarHBondContact OG-N 2.95Å; S270-P301 WeakPolarHBondContact CB-O 3.44Å
271	Q	98.3	Very high	98.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-59.7	-23.2	173.5	-63	-60.4	-22.8	0	0	113	N98 Y227 F244 V245 T246 P301	N98-Q271 VanDerWaalsContact ND2-CB 3.33Å; N98-Q271 WeakPolarHBondContact ND2-CB 3.42Å; Y227-Q271 PolarHBondContact OH-NE2 2.71Å; Y227-Q271 VanDerWaalsContact OH-NE2 3.1Å; F244-Q271 HydrophobicContact CD1-CG 4.42Å; V245-Q271 HydrophobicContact CG1-CB 4.15Å; T246-Q271 WeakPolarHBondContact CB-O 3.36Å; T246-Q271 WeakPolarHBondContact CG2-O 3.35Å; T246-Q271 PolarHBondContact OG1-O 3.22Å; Q271-P301 HydrophobicContact CG-CG 4.37Å; Q271-P301 WeakPolarHBondContact CG-O 3.35Å; Q271-P301 PolarHBondContact N-O 3.36Å
272	V	98.8	Very high	98.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	11%	0.106	C	C	.	.	S	Bend	trans	-111.8	-12.8	-177.9	-63.4	0	0	0	0	113.7	A185 C252 F253 D254 D257 S270 M302	A185-V272 HydrophobicContact CB-CB 3.76Å; A185-V272 HydrophobicContact CB-CG1 4.09Å; A185-V272 VanDerWaalsContact CB-O 3.3Å; A185-V272 WeakPolarHBondContact CB-O 3.46Å; C252-V272 CarbonylContact C-O 3.56Å; C252-V272 PolarHBondContact SG-O 2.98Å; F253-V272 VanDerWaalsContact CA-O 3.25Å; F253-V272 WeakPolarHBondContact CA-O 3.38Å; F253-V272 PolarHBondContact N-O 3.02Å; D254-V272 HydrophobicContact CB-CG2 3.87Å; D257-V272 WeakPolarHBondContact OD2-CG2 3.41Å; S270-V272 PolarHBondContact O-N 3.23Å; S270-V272 WeakPolarHBondContact OG-CG2 3.21Å; S270-V272 PolarHBondContact OG-N 2.84Å; V272-M302 HydrophobicContact CG1-CE 4.38Å; V272-M302 HydrophobicContact CG1-SD 4.35Å; V272-M302 HydrophobicContact CG2-CG 3.98Å
273	T	98.9	Very high	98.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	14%	0.136	C	C	.	.			trans	-118.7	109.7	-179.1	-63.6	0	0	0	0	110.6	C252 F253 D254 D257 F258 V267 R269 S270 I278	C252-T273 WeakPolarHBondContact O-CA 3.26Å; F253-T273 WeakPolarHBondContact CA-OG1 3.37Å; F253-T273 HydrophobicContact CB-CG2 3.66Å; F253-T273 WeakPolarHBondContact CB-OG1 3.11Å; D254-T273 PolarHBondContact N-OG1 3.05Å; D257-T273 HydrophobicContact CB-CG2 4.21Å; D257-T273 WeakPolarHBondContact CB-OG1 3.21Å; D257-T273 VanDerWaalsContact OD2-CB 3.24Å; D257-T273 WeakPolarHBondContact OD2-CB 3.29Å; D257-T273 PolarHBondContact OD2-OG1 3.36Å; F258-T273 HydrophobicContact CE2-CG2 4.3Å; V267-T273 HydrophobicContact CG2-CG2 4.1Å; R269-T273 WeakPolarHBondContact CA-O 3.39Å; R269-T273 WeakPolarHBondContact CG-O 3.47Å; S270-T273 PolarHBondContact N-O 3.31Å; S270-T273 PolarHBondContact O-N 3.15Å; S270-T273 PolarHBondContact OG-N 2.95Å; T273-I278 HydrophobicContact CG2-CD1 4.07Å; T273-I278 HydrophobicContact CG2-CG1 3.69Å
274	N	98.8	Very high	98.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	13%	0.134	C	C	.	.			trans	-97.5	170	-178.7	76.4	-1.3	0	0	0	112.2	T247 E248 E250 C252 M276 G277 I278	T247-N274 PolarHBondContact O-ND2 2.89Å; E248-N274 WeakPolarHBondContact OE1-CB 3.34Å; E250-N274 PolarHBondContact O-ND2 2.91Å; C252-N274 PolarHBondContact N-OD1 3.32Å; C252-N274 VanDerWaalsContact N-OD1 3.17Å; C252-N274 PolarHBondContact O-N 3.31Å; C252-N274 VanDerWaalsContact O-N 3.07Å; C252-N274 PolarHBondContact O-OD1 3.44Å; N274-M276 VanDerWaalsContact C-N 3.32Å; N274-M276 PolarHBondContact O-N 2.95Å; N274-M276 PolarHBondContact OD1-N 2.97Å; N274-G277 PolarHBondContact O-N 2.83Å; N274-G277 PolarHBondContact OD1-N 3.1Å; N274-I278 WeakPolarHBondContact O-CG1 3.25Å; N274-I278 PolarHBondContact O-N 2.91Å
275	Y	98.8	Very high	98.7	Very high	119 Å²	119	32.9 Å²	32.9	47%	0.467	14%	0.136	S	C	.	.	H	α-helix	trans	-66.9	-33.4	-176.9	-68.5	-64.2	0	0	0	112.4	E248 R269 G277 I278 E279 I293	E248-Y275 VanDerWaalsContact OE1-CD2 3.29Å; E248-Y275 WeakPolarHBondContact OE1-CD2 3.25Å; E248-Y275 PolarHBondContact OE1-N 3.39Å; E248-Y275 PolarHBondContact OE2-N 2.82Å; R269-Y275 HydrophobicContact CB-CD1 4.46Å; R269-Y275 HydrophobicContact CB-CE1 3.89Å; R269-Y275 HydrophobicContact CG-CD1 4.23Å; R269-Y275 HydrophobicContact CG-CD2 4.23Å; R269-Y275 HydrophobicContact CG-CE1 3.92Å; R269-Y275 HydrophobicContact CG-CE2 3.92Å; R269-Y275 HydrophobicContact CG-CG 4.38Å; Y275-G277 VanDerWaalsContact C-N 3.34Å; Y275-G277 PolarHBondContact O-N 2.97Å; Y275-I278 HydrophobicContact CD1-CD1 4.3Å; Y275-I278 PolarHBondContact O-N 2.7Å; Y275-E279 VanDerWaalsContact O-CB 3.26Å; Y275-E279 WeakPolarHBondContact O-CB 3.48Å; Y275-E279 PolarHBondContact O-N 3.45Å; Y275-I293 HydrophobicContact CD1-CD1 3.97Å; Y275-I293 HydrophobicContact CE1-CD1 4.06Å
276	M	98.8	Very high	98.7	Very high	74 Å²	74	35.2 Å²	35.2	37%	0.365	16%	0.155	S	C	.	.	H	α-helix	trans	-61	-40.6	172.6	-73.6	-174.1	74.6	0	0	112.7	E248 P251 N274 E279 W280	E248-M276 HydrophobicContact CB-CG 4.4Å; E248-M276 HydrophobicContact CB-SD 4.31Å; E248-M276 WeakPolarHBondContact OE2-CG 3.48Å; E248-M276 PolarHBondContact OE2-N 2.89Å; P251-M276 HydrophobicContact CB-CB 4.32Å; P251-M276 HydrophobicContact CG-CB 4.23Å; P251-M276 HydrophobicContact CG-CE 4.15Å; N274-M276 VanDerWaalsContact C-N 3.32Å; N274-M276 PolarHBondContact O-N 2.95Å; N274-M276 PolarHBondContact OD1-N 2.97Å; M276-E279 PolarHBondContact O-N 3.08Å; M276-W280 PolarHBondContact O-N 2.91Å
277	G	98.9	Very high	98.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.2	-45.1	174.9	0	0	0	0	0	112.4	N274 Y275 E279 W280 M281	N274-G277 PolarHBondContact O-N 2.83Å; N274-G277 PolarHBondContact OD1-N 3.1Å; Y275-G277 VanDerWaalsContact C-N 3.34Å; Y275-G277 PolarHBondContact O-N 2.97Å; G277-E279 PolarHBondContact O-N 3.19Å; G277-W280 WeakPolarHBondContact O-CB 3.34Å; G277-W280 PolarHBondContact O-N 2.71Å; G277-M281 PolarHBondContact O-N 2.97Å; G277-M281 VanDerWaalsContact O-N 3.12Å
278	I	98.9	Very high	98.6	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-45	174.6	-65.9	168.5	0	0	0	111.3	F258 V267 R269 T273 N274 Y275 W280 M281 R282 V291 I293	F258-I278 HydrophobicContact CZ-CG1 4.43Å; V267-I278 HydrophobicContact CG1-CD1 4.13Å; V267-I278 HydrophobicContact CG1-CG1 4.05Å; V267-I278 HydrophobicContact CG1-CG2 3.77Å; V267-I278 HydrophobicContact CG2-CD1 4.1Å; V267-I278 HydrophobicContact CG2-CG1 3.86Å; R269-I278 HydrophobicContact CB-CD1 4.21Å; T273-I278 HydrophobicContact CG2-CD1 4.07Å; T273-I278 HydrophobicContact CG2-CG1 3.69Å; N274-I278 WeakPolarHBondContact O-CG1 3.25Å; N274-I278 PolarHBondContact O-N 2.91Å; Y275-I278 HydrophobicContact CD1-CD1 4.3Å; Y275-I278 PolarHBondContact O-N 2.7Å; I278-W280 VanDerWaalsContact C-N 3.34Å; I278-W280 PolarHBondContact O-N 3.32Å; I278-M281 PolarHBondContact O-N 2.95Å; I278-R282 WeakPolarHBondContact O-CB 3.47Å; I278-R282 PolarHBondContact O-N 3.37Å; I278-V291 HydrophobicContact CG2-CG1 4.14Å; I278-I293 HydrophobicContact CD1-CD1 4.21Å; I278-I293 HydrophobicContact CD1-CG1 4.42Å; I278-I293 HydrophobicContact CG2-CD1 3.78Å; I278-I293 HydrophobicContact CG2-CG1 3.83Å
279	E	98.9	Very high	98.6	Very high	57 Å²	57	46.5 Å²	46.5	27%	0.266	22%	0.22	S	C	.	.	H	α-helix	trans	-65.3	-36.8	179	172	56.1	-159.7	0	0	112	Y275 M276 G277 R282 R283	Y275-E279 VanDerWaalsContact O-CB 3.26Å; Y275-E279 WeakPolarHBondContact O-CB 3.48Å; Y275-E279 PolarHBondContact O-N 3.45Å; M276-E279 PolarHBondContact O-N 3.08Å; G277-E279 PolarHBondContact O-N 3.19Å; E279-R282 PolarHBondContact O-N 2.92Å; E279-R282 IonicContact OE1-CZ 3.23Å; E279-R282 IonicContact OE1-NE 3.56Å; E279-R282 IonicContact OE1-NH2 3.57Å; E279-R282 PolarHBondContact OE1-NH2 2.88Å; E279-R282 IonicContact OE2-CZ 3.3Å; E279-R282 VanDerWaalsContact OE2-CZ 3.26Å; E279-R282 IonicContact OE2-NE 2.73Å; E279-R282 PolarHBondContact OE2-NE 3.32Å; E279-R282 IonicContact OE2-NH2 3.69Å; E279-R282 PolarHBondContact OE2-NH2 2.8Å; E279-R283 WeakPolarHBondContact O-CB 3.33Å; E279-R283 PolarHBondContact O-N 3.23Å; E279-R283 IonicContact OE1-CZ 3.81Å; E279-R283 IonicContact OE1-NE 2.8Å; E279-R283 PolarHBondContact OE1-NE 3.44Å; E279-R283 IonicContact OE1-NH2 3.48Å; E279-R283 PolarHBondContact OE1-NH2 3.14Å
280	W	98.9	Very high	98.7	Very high	52 Å²	52	51.2 Å²	51.2	20%	0.197	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-50.5	172.6	-178.7	85.7	0	0	0	111	I180 T211 A213 P214 F253 M276 G277 I278 R282 R283 H284	I180-W280 HydrophobicContact CG2-CH2 4.29Å; I180-W280 HydrophobicContact CG2-CZ3 4.23Å; T211-W280 HydrophobicContact CG2-CH2 3.84Å; T211-W280 HydrophobicContact CG2-CZ2 4.24Å; A213-W280 HydrophobicContact CB-CD2 4.32Å; A213-W280 HydrophobicContact CB-CE3 3.91Å; A213-W280 HydrophobicContact CB-CH2 3.59Å; A213-W280 HydrophobicContact CB-CZ2 4.01Å; A213-W280 HydrophobicContact CB-CZ3 3.51Å; P214-W280 VanDerWaalsContact CD-NE1 3.26Å; F253-W280 AromaticContact CE1-CE3 3.71Å; F253-W280 HydrophobicContact CE1-CE3 3.71Å; F253-W280 HydrophobicContact CE1-CZ3 4.14Å; F253-W280 AromaticContact CZ-CE3 3.85Å; F253-W280 HydrophobicContact CZ-CE3 3.85Å; F253-W280 AromaticContact CZ-CZ3 3.83Å; F253-W280 HydrophobicContact CZ-CZ3 3.83Å; M276-W280 PolarHBondContact O-N 2.91Å; G277-W280 WeakPolarHBondContact O-CB 3.34Å; G277-W280 PolarHBondContact O-N 2.71Å; I278-W280 VanDerWaalsContact C-N 3.34Å; I278-W280 PolarHBondContact O-N 3.32Å; W280-R282 PolarHBondContact O-N 3.46Å; W280-R283 PolarHBondContact O-N 3.2Å; W280-H284 HydrophobicContact CH2-CB 4.49Å; W280-H284 HydrophobicContact CZ2-CB 4.46Å; W280-H284 VanDerWaalsContact O-CB 3.23Å; W280-H284 WeakPolarHBondContact O-CB 3.06Å; W280-H284 PolarHBondContact O-N 3.45Å
281	M	98.9	Very high	98.7	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-46.4	176.5	-78.4	-62	-48.6	0	0	112.2	M173 I180 F253 F258 G277 I278 R283 H284 L285	M173-M281 HydrophobicContact CE-CE 3.21Å; M173-M281 HydrophobicContact CE-SD 4.19Å; I180-M281 HydrophobicContact CD1-CE 4.08Å; I180-M281 HydrophobicContact CG2-SD 4.48Å; F253-M281 HydrophobicContact CE1-CG 4.02Å; F253-M281 HydrophobicContact CE1-SD 4.38Å; F253-M281 HydrophobicContact CE2-CG 4.08Å; F253-M281 HydrophobicContact CE2-SD 3.96Å; F253-M281 HydrophobicContact CZ-CG 3.74Å; F253-M281 HydrophobicContact CZ-SD 3.6Å; F253-M281 VanDerWaalsContact CZ-SD 3.6Å; F258-M281 HydrophobicContact CE1-CB 3.81Å; F258-M281 HydrophobicContact CE1-CG 3.8Å; F258-M281 HydrophobicContact CE2-CG 4.24Å; F258-M281 HydrophobicContact CZ-CB 3.94Å; F258-M281 HydrophobicContact CZ-CG 3.52Å; G277-M281 PolarHBondContact O-N 2.97Å; G277-M281 VanDerWaalsContact O-N 3.12Å; I278-M281 PolarHBondContact O-N 2.95Å; M281-R283 VanDerWaalsContact C-N 3.34Å; M281-R283 PolarHBondContact O-N 3.28Å; M281-H284 PolarHBondContact O-N 3.2Å; M281-L285 HydrophobicContact CE-CD1 3.46Å; M281-L285 VanDerWaalsContact CE-CD1 3.46Å; M281-L285 HydrophobicContact CE-CG 3.99Å; M281-L285 WeakPolarHBondContact O-CG 3.49Å; M281-L285 PolarHBondContact O-N 3.16Å
282	R	98.9	Very high	98.7	Very high	108 Å²	108	54.3 Å²	54.3	41%	0.408	26%	0.256	S	S	.	.	H	α-helix	trans	-60.1	-43.1	179.3	-170.5	-164.5	67.2	73.6	2.1	111.9	I278 E279 W280 A286 V291	I278-R282 WeakPolarHBondContact O-CB 3.47Å; I278-R282 PolarHBondContact O-N 3.37Å; E279-R282 PolarHBondContact O-N 2.92Å; E279-R282 IonicContact OE1-CZ 3.23Å; E279-R282 IonicContact OE1-NE 3.56Å; E279-R282 IonicContact OE1-NH2 3.57Å; E279-R282 PolarHBondContact OE1-NH2 2.88Å; E279-R282 IonicContact OE2-CZ 3.3Å; E279-R282 VanDerWaalsContact OE2-CZ 3.26Å; E279-R282 IonicContact OE2-NE 2.73Å; E279-R282 PolarHBondContact OE2-NE 3.32Å; E279-R282 IonicContact OE2-NH2 3.69Å; E279-R282 PolarHBondContact OE2-NH2 2.8Å; W280-R282 PolarHBondContact O-N 3.46Å; R282-A286 WeakPolarHBondContact O-CB 3.32Å; R282-A286 PolarHBondContact O-N 3.19Å; R282-V291 HydrophobicContact CB-CB 4.02Å; R282-V291 HydrophobicContact CB-CG2 4.23Å; R282-V291 HydrophobicContact CG-CB 4.15Å
283	R	98.8	Very high	98.7	Very high	167 Å²	167	58 Å²	58	63%	0.63	28%	0.276	S	S	*	.	H	α-helix	trans	-73.4	-36.1	-179.8	-164.2	-177.4	-55.4	158.1	4.8	112.1	E279 W280 M281	E279-R283 WeakPolarHBondContact O-CB 3.33Å; E279-R283 PolarHBondContact O-N 3.23Å; E279-R283 IonicContact OE1-CZ 3.81Å; E279-R283 IonicContact OE1-NE 2.8Å; E279-R283 PolarHBondContact OE1-NE 3.44Å; E279-R283 IonicContact OE1-NH2 3.48Å; E279-R283 PolarHBondContact OE1-NH2 3.14Å; W280-R283 PolarHBondContact O-N 3.2Å; M281-R283 VanDerWaalsContact C-N 3.34Å; M281-R283 PolarHBondContact O-N 3.28Å
284	H	98.9	Very high	98.6	Very high	68 Å²	68	58.1 Å²	58.1	32%	0.315	28%	0.276	S	S	.	.	H	α-helix	trans	-66.9	-41.6	179.7	-179.2	69.2	0	0	0	112.6	E178 W280 M281	E178-H284 IonicContact OE1-CD2 3.26Å; E178-H284 IonicContact OE1-CE1 3.44Å; E178-H284 PolarHBondContact OE1-CE1 3.3Å; E178-H284 IonicContact OE1-NE2 3.89Å; E178-H284 PolarHBondContact OE1-NE2 3.31Å; E178-H284 IonicContact OE2-NE2 2.75Å; W280-H284 HydrophobicContact CH2-CB 4.49Å; W280-H284 HydrophobicContact CZ2-CB 4.46Å; W280-H284 VanDerWaalsContact O-CB 3.23Å; W280-H284 WeakPolarHBondContact O-CB 3.06Å; W280-H284 PolarHBondContact O-N 3.45Å; M281-H284 PolarHBondContact O-N 3.2Å
285	L	98.8	Very high	98.5	Very high	9 Å²	9	59.9 Å²	59.9	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-90.7	-7.2	-176.2	-61	179.8	0	0	0	114.7	V175 I180 L265 M281 D288 Y289	V175-L285 HydrophobicContact CB-CD2 4.33Å; V175-L285 HydrophobicContact CG1-CD1 4.26Å; V175-L285 HydrophobicContact CG1-CD2 4.02Å; V175-L285 HydrophobicContact CG2-CD1 4.3Å; I180-L285 HydrophobicContact CD1-CD2 4.07Å; L265-L285 HydrophobicContact CD1-CD1 4.48Å; L265-L285 HydrophobicContact CD2-CD1 3.83Å; M281-L285 HydrophobicContact CE-CD1 3.46Å; M281-L285 VanDerWaalsContact CE-CD1 3.46Å; M281-L285 HydrophobicContact CE-CG 3.99Å; M281-L285 WeakPolarHBondContact O-CG 3.49Å; M281-L285 PolarHBondContact O-N 3.16Å; L285-D288 PolarHBondContact O-N 3.16Å; L285-Y289 HydrophobicContact CB-CD2 4.2Å; L285-Y289 HydrophobicContact CB-CG 4.42Å; L285-Y289 PolarHBondContact O-N 3.11Å; L285-Y289 VanDerWaalsContact O-N 3.17Å
286	A	97.9	Very high	98.3	Very high	49 Å²	49	54.9 Å²	54.9	41%	0.405	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	148	177.1	0	0	0	0	0	111.6	R282	R282-A286 WeakPolarHBondContact O-CB 3.32Å; R282-A286 PolarHBondContact O-N 3.19Å
287	P	98.1	Very high	97.9	Very high	117 Å²	117	58.8 Å²	58.8	76%	0.76	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.7	-4.4	2.4	36.8	-35.8	0	0	0	114.6	Y289	P287-Y289 VanDerWaalsContact C-N 3.34Å; P287-Y289 PolarHBondContact O-N 3.37Å
288	D	98.2	Very high	96.8	Very high	95 Å²	95	59.3 Å²	59.3	51%	0.508	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-31.8	-168.6	-65.9	-49.1	0	0	0	113.5	R263 L285	R263-D288 PolarHBondContact NH1-O 2.96Å; L285-D288 PolarHBondContact O-N 3.16Å
289	Y	98.7	Very high	95.2	Very high	30 Å²	30	60.1 Å²	60.1	12%	0.118	29%	0.293	C	S	.	.			trans	-120	152.1	178.1	-55.3	-94.8	0	0	0	112.1	Y69 V175 G262 R263 L265 L285 P287 L418	Y69-Y289 WeakPolarHBondContact CD1-OH 3.01Å; Y69-Y289 WeakPolarHBondContact CE1-OH 3.39Å; V175-Y289 HydrophobicContact CG1-CD1 3.87Å; V175-Y289 HydrophobicContact CG1-CD2 3.93Å; V175-Y289 HydrophobicContact CG1-CE1 3.52Å; V175-Y289 HydrophobicContact CG1-CE2 3.6Å; V175-Y289 HydrophobicContact CG1-CG 4.07Å; G262-Y289 WeakPolarHBondContact O-CD1 3.32Å; G262-Y289 WeakPolarHBondContact O-CE1 3.21Å; R263-Y289 CarbonylContact O-C 3.6Å; R263-Y289 VanDerWaalsContact O-CA 3.28Å; R263-Y289 WeakPolarHBondContact O-CA 3.36Å; L265-Y289 HydrophobicContact CD1-CD1 3.71Å; L265-Y289 HydrophobicContact CD1-CG 4.14Å; L285-Y289 HydrophobicContact CB-CD2 4.2Å; L285-Y289 HydrophobicContact CB-CG 4.42Å; L285-Y289 PolarHBondContact O-N 3.11Å; L285-Y289 VanDerWaalsContact O-N 3.17Å; P287-Y289 VanDerWaalsContact C-N 3.34Å; P287-Y289 PolarHBondContact O-N 3.37Å; Y289-L418 HydrophobicContact CD1-CD1 4.33Å; Y289-L418 HydrophobicContact CE1-CD1 3.57Å; Y289-L418 HydrophobicContact CE1-CD2 4.33Å
290	K	98.5	Very high	93.6	Very high	123 Å²	123	58 Å²	58	54%	0.535	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.9	176.9	-61.1	173.7	-171.1	166	0	109.3	R263 L265	R263-K290 PolarHBondContact O-N 3.21Å; L265-K290 PolarHBondContact N-O 2.91Å
291	V	98.8	Very high	92.5	Very high	18 Å²	18	55.7 Å²	55.7	11%	0.109	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.3	175.2	179.9	0	0	0	0	108.9	F258 L265 V267 I278 R282	F258-V291 HydrophobicContact CE1-CG1 4.05Å; L265-V291 HydrophobicContact CB-CG2 4.38Å; L265-V291 CarbonylContact O-C 3.54Å; L265-V291 WeakPolarHBondContact O-CA 3.31Å; V267-V291 HydrophobicContact CB-CG1 4.44Å; V267-V291 HydrophobicContact CG1-CG1 3.6Å; I278-V291 HydrophobicContact CG2-CG1 4.14Å; R282-V291 HydrophobicContact CB-CB 4.02Å; R282-V291 HydrophobicContact CB-CG2 4.23Å; R282-V291 HydrophobicContact CG-CB 4.15Å
292	H	98.6	Very high	92	Very high	47 Å²	47	57.4 Å²	57.4	22%	0.218	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.1	-177.7	-58.2	-85.6	0	0	0	110.5	D264 L265 F266 V267 I294	D264-H292 IonicContact OD1-CD2 2.72Å; D264-H292 IonicContact OD1-CE1 2.72Å; D264-H292 IonicContact OD1-NE2 2.97Å; D264-H292 PolarHBondContact OD1-NE2 3.38Å; L265-H292 PolarHBondContact O-N 3.08Å; F266-H292 WeakPolarHBondContact CA-O 3.11Å; F266-H292 HydrophobicContact CD1-CB 3.8Å; F266-H292 HydrophobicContact CE1-CB 4.06Å; V267-H292 PolarHBondContact N-O 3.18Å; H292-I294 PolarHBondContact O-N 2.78Å
293	I	98.5	Very high	91.9	Very high	80 Å²	80	53 Å²	53	41%	0.41	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.2	173.7	-51.7	-178.1	0	0	0	108.9	V267 Y275 I278	V267-I293 HydrophobicContact CG1-CG1 4.11Å; V267-I293 CarbonylContact O-C 3.53Å; V267-I293 WeakPolarHBondContact O-CA 3.06Å; Y275-I293 HydrophobicContact CD1-CD1 3.97Å; Y275-I293 HydrophobicContact CE1-CD1 4.06Å; I278-I293 HydrophobicContact CD1-CD1 4.21Å; I278-I293 HydrophobicContact CD1-CG1 4.42Å; I278-I293 HydrophobicContact CG2-CD1 3.78Å; I278-I293 HydrophobicContact CG2-CG1 3.83Å
294	I	97.8	Very high	91.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.237	C	C	.	.			trans	-116.1	161.5	170.2	60.1	175	0	0	0	110.2	F266 V267 Q268 H292 F296 I304 F308 Q326 M329 F330	F266-I294 HydrophobicContact CB-CD1 3.86Å; F266-I294 HydrophobicContact CB-CG1 4.29Å; F266-I294 HydrophobicContact CD1-CD1 4.35Å; F266-I294 HydrophobicContact CD1-CG2 4.11Å; F266-I294 HydrophobicContact CG-CD1 4.4Å; V267-I294 PolarHBondContact O-N 2.97Å; Q268-I294 WeakPolarHBondContact CA-O 3.08Å; H292-I294 PolarHBondContact O-N 2.78Å; I294-F296 HydrophobicContact CD1-CE2 4.21Å; I294-F296 HydrophobicContact CD1-CZ 3.61Å; I294-F296 HydrophobicContact CG1-CE2 4.05Å; I294-F296 HydrophobicContact CG1-CZ 3.94Å; I294-I304 HydrophobicContact CD1-CD1 3.93Å; I294-I304 HydrophobicContact CG1-CD1 4.04Å; I294-F308 HydrophobicContact CD1-CD1 3.91Å; I294-F308 HydrophobicContact CD1-CE1 4.16Å; I294-F308 HydrophobicContact CD1-CG 4.43Å; I294-Q326 HydrophobicContact CG2-CB 4.18Å; I294-Q326 HydrophobicContact CG2-CG 4.44Å; I294-M329 HydrophobicContact CG2-SD 4.27Å; I294-F330 HydrophobicContact CD1-CZ 4.23Å; I294-F330 HydrophobicContact CG2-CE2 4.34Å; I294-F330 HydrophobicContact CG2-CZ 4.36Å
295	S	96.5	Very high	91.9	Very high	37 Å²	37	42 Å²	42	26%	0.259	22%	0.223	S	C	.	.			trans	-145.3	154.3	-171.9	62.7	0	0	0	0	111	R325 Q326	S295-R325 PolarHBondContact O-N 3.3Å; S295-R325 WeakPolarHBondContact OG-CD 3.48Å; S295-Q326 PolarHBondContact O-OE1 3.48Å; S295-Q326 PolarHBondContact OG-NE2 3.05Å; S295-Q326 PolarHBondContact OG-OE1 3.23Å
296	F	95	Very high	91.8	Very high	15 Å²	15	41.8 Å²	41.8	7%	0.066	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-132.4	164	-171.4	-55.4	-87.1	0	0	0	110.4	Q268 I294 D298 I304 T307 F308 R322 P323 C324	Q268-F296 HydrophobicContact CB-CD2 4.42Å; Q268-F296 HydrophobicContact CB-CE2 4.15Å; I294-F296 HydrophobicContact CD1-CE2 4.21Å; I294-F296 HydrophobicContact CD1-CZ 3.61Å; I294-F296 HydrophobicContact CG1-CE2 4.05Å; I294-F296 HydrophobicContact CG1-CZ 3.94Å; F296-D298 HydrophobicContact CB-CB 3.83Å; F296-D298 PolarHBondContact O-N 3.21Å; F296-D298 VanDerWaalsContact O-N 3.07Å; F296-I304 HydrophobicContact CE2-CD1 3.82Å; F296-I304 HydrophobicContact CE2-CG1 3.85Å; F296-I304 HydrophobicContact CZ-CD1 3.98Å; F296-I304 HydrophobicContact CZ-CG1 4.02Å; F296-T307 HydrophobicContact CB-CG2 4.24Å; F296-T307 HydrophobicContact CD1-CG2 3.45Å; F296-T307 VanDerWaalsContact CD1-CG2 3.45Å; F296-T307 HydrophobicContact CD2-CG2 3.85Å; F296-T307 HydrophobicContact CE1-CG2 3.64Å; F296-T307 HydrophobicContact CE2-CG2 4.04Å; F296-T307 HydrophobicContact CG-CG2 3.57Å; F296-T307 HydrophobicContact CZ-CG2 3.94Å; F296-F308 HydrophobicContact CE1-CB 3.72Å; F296-F308 HydrophobicContact CE1-CD2 4.02Å; F296-F308 HydrophobicContact CE1-CG 4.04Å; F296-F308 HydrophobicContact CZ-CB 3.58Å; F296-F308 HydrophobicContact CZ-CD2 4.47Å; F296-F308 HydrophobicContact CZ-CG 4.04Å; F296-R322 WeakPolarHBondContact CD1-O 3.5Å; F296-P323 WeakPolarHBondContact CA-O 3.47Å; F296-C324 VanDerWaalsContact CD1-CA 3.44Å; F296-C324 HydrophobicContact CD1-CB 3.71Å; F296-C324 HydrophobicContact CE1-CB 3.52Å
297	K	89.8	Confident	91.8	Very high	155 Å²	155	39.4 Å²	39.4	67%	0.674	20%	0.203	S	C	*	.			trans	-80	54.5	159.4	-167.8	-172.5	174.4	-174.8	0	108.9	P323	K297-P323 HydrophobicContact CB-CG 3.99Å; K297-P323 PolarHBondContact N-O 3.12Å; K297-P323 VanDerWaalsContact N-O 3.15Å
298	D	76.1	Confident	91.8	Very high	11 Å²	11	33.9 Å²	33.9	6%	0.059	17%	0.167	C	C	.	.			trans	-87	123.9	-171.3	-167	-24	0	0	0	111.2	F296 N300 P301 T307 R322	F296-D298 HydrophobicContact CB-CB 3.83Å; F296-D298 PolarHBondContact O-N 3.21Å; F296-D298 VanDerWaalsContact O-N 3.07Å; D298-N300 VanDerWaalsContact C-N 3.33Å; D298-N300 PolarHBondContact OD1-N 3.43Å; D298-P301 HydrophobicContact CB-CB 4.5Å; D298-T307 PolarHBondContact OD2-OG1 3.09Å; D298-R322 HydrophobicContact CB-CB 4.47Å; D298-R322 WeakPolarHBondContact OD1-CD 3.41Å; D298-R322 IonicContact OD1-CZ 2.79Å; D298-R322 IonicContact OD1-NE 2.79Å; D298-R322 PolarHBondContact OD1-NE 2.96Å; D298-R322 WeakPolarHBondContact OD2-CD 3.24Å; D298-R322 IonicContact OD2-NE 3.09Å
299	P	64	Low	91.9	Very high	24 Å²	24	29.4 Å²	29.4	16%	0.156	14%	0.143	C	C	.	.	S	Bend	trans	-66.4	-28.9	175	28.6	-38	0	0	0	115.4	R235 H236	R235-P299 VanDerWaalsContact CZ-O 3.24Å; R235-P299 PolarHBondContact NE-O 3.1Å; R235-P299 PolarHBondContact NH2-O 2.79Å; H236-P299 WeakPolarHBondContact CD2-CA 3.45Å; H236-P299 VanDerWaalsContact CD2-CB 3.41Å; H236-P299 WeakPolarHBondContact CD2-CB 3.46Å; H236-P299 PolarHBondContact CD2-O 2.81Å; H236-P299 WeakPolarHBondContact CE1-CB 3.4Å; H236-P299 WeakPolarHBondContact NE2-CA 3.17Å; H236-P299 WeakPolarHBondContact NE2-CB 3.4Å; H236-P299 PolarHBondContact NE2-O 2.88Å
300	N	66.4	Low	91.9	Very high	11 Å²	11	28 Å²	28	6%	0.059	14%	0.138	C	C	.	.	S	Bend	trans	-138.2	69.8	-173.6	-163.2	-6.1	0	0	0	110.3	N98 R235 D298 M302	N98-N300 PolarHBondContact O-ND2 3.3Å; R235-N300 PolarHBondContact NH1-ND2 2.9Å; R235-N300 PolarHBondContact NH1-OD1 2.84Å; R235-N300 PolarHBondContact NH2-ND2 3.05Å; R235-N300 PolarHBondContact NH2-OD1 3.49Å; D298-N300 VanDerWaalsContact C-N 3.33Å; D298-N300 PolarHBondContact OD1-N 3.43Å; N300-M302 PolarHBondContact O-N 2.79Å
301	P	74.7	Confident	91.9	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.032	11%	0.112	C	C	.	.			trans	-69.6	98.1	-175.4	29.7	-34	0	0	0	109.4	A239 F244 S270 Q271 D298	A239-P301 HydrophobicContact CB-CG 4.13Å; F244-P301 HydrophobicContact CD1-CG 4.33Å; F244-P301 HydrophobicContact CE1-CB 4.41Å; F244-P301 HydrophobicContact CE1-CG 3.83Å; S270-P301 WeakPolarHBondContact CB-O 3.44Å; Q271-P301 HydrophobicContact CG-CG 4.37Å; Q271-P301 WeakPolarHBondContact CG-O 3.35Å; Q271-P301 PolarHBondContact N-O 3.36Å; D298-P301 HydrophobicContact CB-CB 4.5Å
302	M	88.6	Confident	91.9	Very high	36 Å²	36	21.4 Å²	21.4	18%	0.177	11%	0.108	C	C	.	.	S	Bend	trans	-157.1	118.3	165.5	172.6	176.8	-176.6	0	0	106	N98 W186 V272 N300	N98-M302 HydrophobicContact CB-SD 3.86Å; N98-M302 VanDerWaalsContact ND2-CB 3.32Å; N98-M302 WeakPolarHBondContact ND2-CB 3.26Å; N98-M302 PolarHBondContact ND2-SD 3.2Å; W186-M302 HydrophobicContact CZ2-CE 4.01Å; W186-M302 HydrophobicContact CZ2-SD 4.02Å; V272-M302 HydrophobicContact CG1-CE 4.38Å; V272-M302 HydrophobicContact CG1-SD 4.35Å; V272-M302 HydrophobicContact CG2-CG 3.98Å; N300-M302 PolarHBondContact O-N 2.79Å
303	H	98	Very high	91.9	Very high	16 Å²	16	21.8 Å²	21.8	7%	0.074	12%	0.115	C	C	.	.			trans	68.2	138.5	-175.8	-45.4	161.5	0	0	0	113	D170 D254 A256 D257 Q268	D170-H303 IonicContact OD1-CE1 2.88Å; D170-H303 PolarHBondContact OD1-CE1 2.73Å; D170-H303 VanDerWaalsContact OD1-CE1 3.31Å; D170-H303 IonicContact OD1-ND1 2.71Å; D170-H303 IonicContact OD1-NE2 3.32Å; D170-H303 IonicContact OD2-CE1 3.54Å; D170-H303 PolarHBondContact OD2-CE1 2.79Å; D254-H303 IonicContact OD2-CD2 3.24Å; D254-H303 IonicContact OD2-CE1 3.22Å; D254-H303 IonicContact OD2-NE2 2.71Å; D254-H303 PolarHBondContact OD2-NE2 2.94Å; A256-H303 HydrophobicContact CB-CB 3.83Å; A256-H303 CarbonylContact O-C 3.51Å; A256-H303 WeakPolarHBondContact O-CA 3.36Å; D257-H303 VanDerWaalsContact OD1-CA 3.23Å; D257-H303 WeakPolarHBondContact OD1-CA 3.36Å; D257-H303 PolarHBondContact OD1-N 2.87Å; Q268-H303 PolarHBondContact NE2-O 2.87Å
304	I	98.2	Very high	91.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-98	-20.4	-170.4	-158.3	171.1	0	0	0	112.5	A256 D257 I259 Q268 I294 F296 A306 T307 F308	A256-I304 PolarHBondContact O-N 3.33Å; D257-I304 WeakPolarHBondContact O-CG2 3.36Å; I259-I304 HydrophobicContact CB-CG2 3.89Å; I259-I304 HydrophobicContact CG2-CD1 4.49Å; I259-I304 HydrophobicContact CG2-CG2 4.01Å; Q268-I304 HydrophobicContact CB-CD1 4.28Å; Q268-I304 HydrophobicContact CG-CB 4.33Å; Q268-I304 HydrophobicContact CG-CD1 4.36Å; Q268-I304 HydrophobicContact CG-CG1 4.35Å; I294-I304 HydrophobicContact CD1-CD1 3.93Å; I294-I304 HydrophobicContact CG1-CD1 4.04Å; F296-I304 HydrophobicContact CE2-CD1 3.82Å; F296-I304 HydrophobicContact CE2-CG1 3.85Å; F296-I304 HydrophobicContact CZ-CD1 3.98Å; F296-I304 HydrophobicContact CZ-CG1 4.02Å; I304-A306 VanDerWaalsContact C-N 3.31Å; I304-A306 PolarHBondContact O-N 2.81Å; I304-T307 CarbonylContact O-C 3.59Å; I304-T307 WeakPolarHBondContact O-CA 3.08Å; I304-T307 WeakPolarHBondContact O-CB 2.91Å; I304-T307 PolarHBondContact O-N 2.9Å; I304-F308 HydrophobicContact CG1-CB 4.22Å; I304-F308 PolarHBondContact O-N 3.31Å
305	D	98.1	Very high	91.9	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.011	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-8.9	-168.7	61.9	-10.6	0	0	0	115.4	N361 H406 C407	D305-N361 PolarHBondContact O-ND2 3.41Å; D305-N361 PolarHBondContact OD1-ND2 3.4Å; D305-N361 PolarHBondContact OD2-ND2 3.41Å; D305-H406 WeakPolarHBondContact CB-ND1 3.45Å; D305-H406 IonicContact OD2-CE1 3.99Å; D305-H406 IonicContact OD2-CG 2.66Å; D305-H406 IonicContact OD2-ND1 3.41Å; D305-H406 PolarHBondContact OD2-ND1 3.01Å; D305-C407 PolarHBondContact OD2-SG 3.02Å
306	A	97.8	Very high	92	Very high	5 Å²	5	18.3 Å²	18.3	4%	0.041	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	9.6	165.1	0	0	0	0	0	113.1	I304 N319 R322 N361	I304-A306 VanDerWaalsContact C-N 3.31Å; I304-A306 PolarHBondContact O-N 2.81Å; A306-N319 PolarHBondContact O-ND2 2.91Å; A306-R322 PolarHBondContact O-NH1 2.66Å; A306-N361 HydrophobicContact CB-CB 4.46Å
307	T	98.4	Very high	92.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-46.6	179.8	-67.8	0	0	0	0	111	F296 D298 I304 N319 R322	F296-T307 HydrophobicContact CB-CG2 4.24Å; F296-T307 HydrophobicContact CD1-CG2 3.45Å; F296-T307 VanDerWaalsContact CD1-CG2 3.45Å; F296-T307 HydrophobicContact CD2-CG2 3.85Å; F296-T307 HydrophobicContact CE1-CG2 3.64Å; F296-T307 HydrophobicContact CE2-CG2 4.04Å; F296-T307 HydrophobicContact CG-CG2 3.57Å; F296-T307 HydrophobicContact CZ-CG2 3.94Å; D298-T307 PolarHBondContact OD2-OG1 3.09Å; I304-T307 CarbonylContact O-C 3.59Å; I304-T307 WeakPolarHBondContact O-CA 3.08Å; I304-T307 WeakPolarHBondContact O-CB 2.91Å; I304-T307 PolarHBondContact O-N 2.9Å; T307-N319 VanDerWaalsContact O-CB 3.25Å; T307-N319 WeakPolarHBondContact O-CB 3.21Å; T307-N319 PolarHBondContact O-N 3.13Å; T307-R322 HydrophobicContact CG2-CB 3.76Å; T307-R322 WeakPolarHBondContact OG1-CD 3.47Å; T307-R322 PolarHBondContact OG1-NH1 2.61Å
308	F	98.4	Very high	92.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	87.3	-176.3	-161.2	-104.9	0	0	0	109.3	I259 I294 F296 I304 I310 V316 L317 C324 F330	I259-F308 WeakPolarHBondContact CD1-O 3.42Å; I294-F308 HydrophobicContact CD1-CD1 3.91Å; I294-F308 HydrophobicContact CD1-CE1 4.16Å; I294-F308 HydrophobicContact CD1-CG 4.43Å; F296-F308 HydrophobicContact CE1-CB 3.72Å; F296-F308 HydrophobicContact CE1-CD2 4.02Å; F296-F308 HydrophobicContact CE1-CG 4.04Å; F296-F308 HydrophobicContact CZ-CB 3.58Å; F296-F308 HydrophobicContact CZ-CD2 4.47Å; F296-F308 HydrophobicContact CZ-CG 4.04Å; I304-F308 HydrophobicContact CG1-CB 4.22Å; I304-F308 PolarHBondContact O-N 3.31Å; F308-I310 HydrophobicContact CD1-CG1 4.36Å; F308-I310 HydrophobicContact CE1-CG1 4.33Å; F308-V316 HydrophobicContact CD1-CG2 3.74Å; F308-V316 HydrophobicContact CD2-CG2 3.79Å; F308-V316 HydrophobicContact CE1-CB 4.45Å; F308-V316 HydrophobicContact CE1-CG2 3.59Å; F308-V316 HydrophobicContact CE2-CB 4.43Å; F308-V316 HydrophobicContact CE2-CG1 3.93Å; F308-V316 HydrophobicContact CE2-CG2 3.63Å; F308-V316 HydrophobicContact CG-CG2 3.85Å; F308-V316 HydrophobicContact CZ-CB 4.17Å; F308-V316 HydrophobicContact CZ-CG1 3.78Å; F308-V316 HydrophobicContact CZ-CG2 3.54Å; F308-L317 CarbonylContact C-O 3.46Å; F308-L317 WeakPolarHBondContact CA-O 3.17Å; F308-C324 HydrophobicContact CE2-CB 4.44Å; F308-F330 HydrophobicContact CE1-CD1 4.23Å; F308-F330 AromaticContact CE1-CE1 3.58Å; F308-F330 HydrophobicContact CE1-CE1 3.58Å; F308-F330 HydrophobicContact CE1-CE2 4.02Å; F308-F330 AromaticContact CE1-CZ 3.45Å; F308-F330 HydrophobicContact CE1-CZ 3.45Å; F308-F330 VanDerWaalsContact CE1-CZ 3.45Å; F308-F330 AromaticContact CZ-CD1 3.9Å; F308-F330 HydrophobicContact CZ-CD1 3.9Å; F308-F330 AromaticContact CZ-CD2 3.87Å; F308-F330 HydrophobicContact CZ-CD2 3.87Å; F308-F330 AromaticContact CZ-CE1 3.68Å; F308-F330 HydrophobicContact CZ-CE1 3.68Å; F308-F330 AromaticContact CZ-CE2 3.65Å; F308-F330 HydrophobicContact CZ-CE2 3.65Å; F308-F330 AromaticContact CZ-CG 3.99Å; F308-F330 HydrophobicContact CZ-CG 3.99Å; F308-F330 AromaticContact CZ-CZ 3.55Å; F308-F330 HydrophobicContact CZ-CZ 3.55Å
309	N	98.8	Very high	93.7	Very high	2 Å²	2	10 Å²	10	1%	0.011	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	111.2	-175.5	-167.7	-11.5	0	0	0	110.1	V316 L317 M360 V362	N309-V316 WeakPolarHBondContact O-CG2 3.42Å; N309-L317 HydrophobicContact CB-CB 4.35Å; N309-L317 PolarHBondContact N-O 3.2Å; N309-L317 PolarHBondContact O-N 3.28Å; N309-M360 HydrophobicContact CB-CE 4.39Å; N309-M360 PolarHBondContact ND2-O 3.38Å; N309-V362 PolarHBondContact ND2-N 2.89Å; N309-V362 PolarHBondContact ND2-O 3.21Å
310	I	98.8	Very high	95.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	119.2	-179	-49.6	174.3	0	0	0	107.9	E71 W72 I259 A261 F266 F308 V316 W335	E71-I310 WeakPolarHBondContact CB-O 3.39Å; W72-I310 HydrophobicContact CE3-CG2 4.03Å; W72-I310 HydrophobicContact CH2-CG2 4.08Å; W72-I310 HydrophobicContact CZ3-CB 4.2Å; W72-I310 HydrophobicContact CZ3-CG2 3.35Å; I259-I310 HydrophobicContact CD1-CB 4.19Å; I259-I310 HydrophobicContact CD1-CG1 4.04Å; I259-I310 VanDerWaalsContact CD1-N 3.3Å; I259-I310 HydrophobicContact CG1-CB 4.44Å; I259-I310 HydrophobicContact CG1-CD1 4.25Å; I259-I310 HydrophobicContact CG1-CG1 4.23Å; I259-I310 HydrophobicContact CG2-CD1 3.8Å; I259-I310 HydrophobicContact CG2-CG1 4.23Å; A261-I310 HydrophobicContact CB-CD1 4.15Å; F266-I310 HydrophobicContact CD2-CD1 3.71Å; F266-I310 HydrophobicContact CE2-CD1 4.06Å; F308-I310 HydrophobicContact CD1-CG1 4.36Å; F308-I310 HydrophobicContact CE1-CG1 4.33Å; I310-V316 HydrophobicContact CG1-CB 4.48Å; I310-V316 HydrophobicContact CG1-CG2 3.98Å; I310-W335 HydrophobicContact CD1-CH2 4Å; I310-W335 HydrophobicContact CD1-CZ3 3.93Å; I310-W335 HydrophobicContact CG1-CZ3 4.07Å; I310-W335 HydrophobicContact CG2-CH2 3.93Å; I310-W335 HydrophobicContact CG2-CZ3 3.66Å
311	I	98.8	Very high	96.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	4	-167.3	57.7	162.4	0	0	0	113.4	L315 L317 V362 M364 F383 I388	I311-L315 HydrophobicContact CD1-CD2 3.7Å; I311-L315 HydrophobicContact CD1-CG 3.87Å; I311-L315 HydrophobicContact CG1-CB 4.36Å; I311-L315 HydrophobicContact CG1-CD2 3.84Å; I311-L315 HydrophobicContact CG1-CG 3.7Å; I311-L315 PolarHBondContact N-O 3.23Å; I311-L317 HydrophobicContact CD1-CD1 4.33Å; I311-L317 HydrophobicContact CD1-CD2 3.65Å; I311-L317 HydrophobicContact CD1-CG 3.79Å; I311-L317 HydrophobicContact CG1-CD2 4.5Å; I311-L317 HydrophobicContact CG1-CG 4.23Å; I311-L317 HydrophobicContact CG2-CD1 4.1Å; I311-L317 HydrophobicContact CG2-CG 4.08Å; I311-V362 HydrophobicContact CG2-CG2 4Å; I311-M364 HydrophobicContact CB-CE 4.39Å; I311-M364 HydrophobicContact CB-CG 3.88Å; I311-M364 HydrophobicContact CB-SD 3.68Å; I311-M364 HydrophobicContact CG2-CG 4.09Å; I311-M364 HydrophobicContact CG2-SD 3.91Å; I311-M364 WeakPolarHBondContact O-CE 3.44Å; I311-F383 HydrophobicContact CD1-CE1 3.98Å; I311-I388 HydrophobicContact CD1-CD1 4.32Å
312	G	98.5	Very high	97.7	Very high	2 Å²	2	15.8 Å²	15.8	2%	0.021	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.7	171.3	-178.7	0	0	0	0	0	112.1	G314 L315	G312-G314 PolarHBondContact O-N 3.39Å; G312-L315 PolarHBondContact N-O 3.15Å; G312-L315 PolarHBondContact O-N 2.95Å
313	P	98.4	Very high	98	Very high	56 Å²	56	17.1 Å²	17.1	36%	0.364	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	109.1	178.3	27.2	-32.9	0	0	0	109.7	W72 L315 Y421	W72-P313 HydrophobicContact CZ2-CB 4.29Å; P313-L315 VanDerWaalsContact C-N 3.32Å; P313-L315 PolarHBondContact O-N 3.02Å; P313-Y421 HydrophobicContact CB-CD1 3.74Å; P313-Y421 HydrophobicContact CB-CE1 3.84Å
314	G	98	Very high	98	Very high	14 Å²	14	16.7 Å²	16.7	14%	0.144	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	21.8	-175.9	0	0	0	0	0	114.6	G312 W335 T336	G312-G314 PolarHBondContact O-N 3.39Å; G314-W335 CarbonylContact O-C 3.51Å; G314-W335 WeakPolarHBondContact O-CA 3.32Å; G314-T336 PolarHBondContact O-N 2.99Å
315	L	98.6	Very high	97.9	Very high	31 Å²	31	24 Å²	24	16%	0.162	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124	-179.4	-178.4	65.1	0	0	0	111.2	I311 G312 P313 T336 V338 I388	I311-L315 HydrophobicContact CD1-CD2 3.7Å; I311-L315 HydrophobicContact CD1-CG 3.87Å; I311-L315 HydrophobicContact CG1-CB 4.36Å; I311-L315 HydrophobicContact CG1-CD2 3.84Å; I311-L315 HydrophobicContact CG1-CG 3.7Å; I311-L315 PolarHBondContact N-O 3.23Å; G312-L315 PolarHBondContact N-O 3.15Å; G312-L315 PolarHBondContact O-N 2.95Å; P313-L315 VanDerWaalsContact C-N 3.32Å; P313-L315 PolarHBondContact O-N 3.02Å; L315-T336 HydrophobicContact CD1-CG2 3.78Å; L315-V338 HydrophobicContact CD1-CG2 3.75Å; L315-I388 HydrophobicContact CD2-CD1 4.15Å
316	V	98.8	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	138.9	-177	63.5	0	0	0	0	112.6	F308 N309 I310 W335 T336 V337 V338	F308-V316 HydrophobicContact CD1-CG2 3.74Å; F308-V316 HydrophobicContact CD2-CG2 3.79Å; F308-V316 HydrophobicContact CE1-CB 4.45Å; F308-V316 HydrophobicContact CE1-CG2 3.59Å; F308-V316 HydrophobicContact CE2-CB 4.43Å; F308-V316 HydrophobicContact CE2-CG1 3.93Å; F308-V316 HydrophobicContact CE2-CG2 3.63Å; F308-V316 HydrophobicContact CG-CG2 3.85Å; F308-V316 HydrophobicContact CZ-CB 4.17Å; F308-V316 HydrophobicContact CZ-CG1 3.78Å; F308-V316 HydrophobicContact CZ-CG2 3.54Å; N309-V316 WeakPolarHBondContact O-CG2 3.42Å; I310-V316 HydrophobicContact CG1-CB 4.48Å; I310-V316 HydrophobicContact CG1-CG2 3.98Å; V316-W335 HydrophobicContact CB-CE3 4.21Å; V316-W335 HydrophobicContact CB-CZ3 4.37Å; V316-W335 HydrophobicContact CG1-CE3 4.12Å; V316-T336 PolarHBondContact N-O 3.14Å; V316-V337 HydrophobicContact CG1-CB 4.28Å; V316-V337 HydrophobicContact CG1-CG1 4.29Å; V316-V337 HydrophobicContact CG1-CG2 3.9Å; V316-V338 PolarHBondContact O-N 2.89Å
317	L	98.8	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	114.7	166.4	-54.7	-176.3	0	0	0	109.2	F308 N309 I311 V338 M360 V362 M382 F383	F308-L317 CarbonylContact C-O 3.46Å; F308-L317 WeakPolarHBondContact CA-O 3.17Å; N309-L317 HydrophobicContact CB-CB 4.35Å; N309-L317 PolarHBondContact N-O 3.2Å; N309-L317 PolarHBondContact O-N 3.28Å; I311-L317 HydrophobicContact CD1-CD1 4.33Å; I311-L317 HydrophobicContact CD1-CD2 3.65Å; I311-L317 HydrophobicContact CD1-CG 3.79Å; I311-L317 HydrophobicContact CG1-CD2 4.5Å; I311-L317 HydrophobicContact CG1-CG 4.23Å; I311-L317 HydrophobicContact CG2-CD1 4.1Å; I311-L317 HydrophobicContact CG2-CG 4.08Å; L317-V338 CarbonylContact C-O 3.46Å; L317-V338 WeakPolarHBondContact CA-O 3.45Å; L317-V338 HydrophobicContact CD2-CB 3.98Å; L317-V338 HydrophobicContact CD2-CG1 4.12Å; L317-M360 HydrophobicContact CB-CE 3.81Å; L317-M360 HydrophobicContact CD1-CB 4.33Å; L317-M360 WeakPolarHBondContact O-CE 3.41Å; L317-V362 HydrophobicContact CD1-CG2 4.17Å; L317-M382 HydrophobicContact CD1-CE 4.34Å; L317-M382 HydrophobicContact CD2-CE 3.66Å; L317-M382 HydrophobicContact CD2-SD 4.31Å; L317-F383 HydrophobicContact CD1-CE1 4.19Å; L317-F383 HydrophobicContact CD1-CZ 3.84Å
318	S	98.4	Very high	97.8	Very high	7 Å²	7	32.5 Å²	32.5	5%	0.049	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.2	175.3	-179.5	0	0	0	0	109.6	V338 P340	S318-V338 PolarHBondContact N-O 2.95Å; S318-P340 WeakPolarHBondContact O-CD 3.44Å
319	N	98.3	Very high	97.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.			trans	-55.2	124.6	177.9	-174.6	-42.1	0	0	0	110.7	A306 T307 D321 R322 W357 M360	A306-N319 PolarHBondContact O-ND2 2.91Å; T307-N319 VanDerWaalsContact O-CB 3.25Å; T307-N319 WeakPolarHBondContact O-CB 3.21Å; T307-N319 PolarHBondContact O-N 3.13Å; N319-D321 VanDerWaalsContact C-N 3.27Å; N319-D321 PolarHBondContact O-N 3.35Å; N319-D321 WeakPolarHBondContact OD1-CB 3.49Å; N319-D321 PolarHBondContact OD1-N 3.12Å; N319-R322 HydrophobicContact CB-CB 4.08Å; N319-R322 HydrophobicContact CB-CG 4.31Å; N319-R322 CarbonylContact O-C 3.51Å; N319-R322 PolarHBondContact O-N 3.36Å; N319-W357 WeakPolarHBondContact ND2-CB 3.41Å; N319-W357 VanDerWaalsContact ND2-CD1 3.32Å; N319-M360 HydrophobicContact CB-CE 4.14Å; N319-M360 HydrophobicContact CB-SD 3.59Å; N319-M360 VanDerWaalsContact CB-SD 3.59Å
320	P	97.3	Very high	97.7	Very high	48 Å²	48	35 Å²	35	31%	0.312	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.1	-175.9	27.7	-35	0	0	0	113.4	R322 K339 W357	P320-R322 VanDerWaalsContact C-N 3.31Å; P320-K339 HydrophobicContact CB-CD 4.41Å; P320-W357 VanDerWaalsContact CD-CH2 3.43Å; P320-W357 HydrophobicContact CG-CH2 3.26Å; P320-W357 HydrophobicContact CG-CZ2 3.65Å; P320-W357 HydrophobicContact CG-CZ3 4.1Å
321	D	95.9	Very high	97.6	Very high	101 Å²	101	40.5 Å²	40.5	54%	0.54	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-16.1	178.8	-64.1	-10.4	0	0	0	112.1	N319 P323 W357	N319-D321 VanDerWaalsContact C-N 3.27Å; N319-D321 PolarHBondContact O-N 3.35Å; N319-D321 WeakPolarHBondContact OD1-CB 3.49Å; N319-D321 PolarHBondContact OD1-N 3.12Å; D321-P323 WeakPolarHBondContact O-CD 3.25Å; D321-W357 HydrophobicContact CB-CZ2 4.46Å; D321-W357 WeakPolarHBondContact OD2-CZ2 3.4Å; D321-W357 PolarHBondContact OD2-NE1 2.87Å
322	R	96.1	Very high	97.5	Very high	12 Å²	12	49.2 Å²	49.2	5%	0.045	25%	0.248	C	C	.	.	S	Bend	trans	-127.5	61.2	-172.3	-49.1	178.7	179.5	165.4	1.8	110.4	F296 D298 A306 T307 N319 P320 C324 S355	F296-R322 WeakPolarHBondContact CD1-O 3.5Å; D298-R322 HydrophobicContact CB-CB 4.47Å; D298-R322 WeakPolarHBondContact OD1-CD 3.41Å; D298-R322 IonicContact OD1-CZ 2.79Å; D298-R322 IonicContact OD1-NE 2.79Å; D298-R322 PolarHBondContact OD1-NE 2.96Å; D298-R322 WeakPolarHBondContact OD2-CD 3.24Å; D298-R322 IonicContact OD2-NE 3.09Å; A306-R322 PolarHBondContact O-NH1 2.66Å; T307-R322 HydrophobicContact CG2-CB 3.76Å; T307-R322 WeakPolarHBondContact OG1-CD 3.47Å; T307-R322 PolarHBondContact OG1-NH1 2.61Å; N319-R322 HydrophobicContact CB-CB 4.08Å; N319-R322 HydrophobicContact CB-CG 4.31Å; N319-R322 CarbonylContact O-C 3.51Å; N319-R322 PolarHBondContact O-N 3.36Å; P320-R322 VanDerWaalsContact C-N 3.31Å; R322-C324 PolarHBondContact O-N 3.49Å; R322-S355 PolarHBondContact NH2-OG 3.32Å
323	P	96.3	Very high	97.4	Very high	63 Å²	63	50.2 Å²	50.2	41%	0.409	26%	0.256	S	S	.	.			trans	-59.8	132	-176.5	24.6	-35.4	0	0	0	111.7	F296 K297 D321	F296-P323 WeakPolarHBondContact CA-O 3.47Å; K297-P323 HydrophobicContact CB-CG 3.99Å; K297-P323 PolarHBondContact N-O 3.12Å; K297-P323 VanDerWaalsContact N-O 3.15Å; D321-P323 WeakPolarHBondContact O-CD 3.25Å
324	C	97.4	Very high	97.3	Very high	7 Å²	7	50.4 Å²	50.4	5%	0.047	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-67.7	126.6	173.1	-176.8	0	0	0	0	110.4	F296 F308 R322 Q326 V327	F296-C324 VanDerWaalsContact CD1-CA 3.44Å; F296-C324 HydrophobicContact CD1-CB 3.71Å; F296-C324 HydrophobicContact CE1-CB 3.52Å; F308-C324 HydrophobicContact CE2-CB 4.44Å; R322-C324 PolarHBondContact O-N 3.49Å; C324-Q326 PolarHBondContact O-N 2.64Å; C324-Q326 PolarHBondContact SG-N 3.14Å; C324-V327 HydrophobicContact CB-CB 4.12Å; C324-V327 WeakPolarHBondContact O-CB 3.39Å; C324-V327 PolarHBondContact O-N 2.99Å
325	R	96.8	Very high	97.4	Very high	155 Å²	155	50.4 Å²	50.4	59%	0.585	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-26.3	178.1	-60.9	-172.5	-177	-165.1	1.2	112	S295	S295-R325 PolarHBondContact O-N 3.3Å; S295-R325 WeakPolarHBondContact OG-CD 3.48Å
326	Q	97.5	Very high	97.4	Very high	64 Å²	64	52.7 Å²	52.7	30%	0.299	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	11.9	179	-65.5	78.3	7.3	0	0	112.6	I294 S295 C324 D328 M329	I294-Q326 HydrophobicContact CG2-CB 4.18Å; I294-Q326 HydrophobicContact CG2-CG 4.44Å; S295-Q326 PolarHBondContact O-OE1 3.48Å; S295-Q326 PolarHBondContact OG-NE2 3.05Å; S295-Q326 PolarHBondContact OG-OE1 3.23Å; C324-Q326 PolarHBondContact O-N 2.64Å; C324-Q326 PolarHBondContact SG-N 3.14Å; Q326-D328 PolarHBondContact O-N 2.95Å; Q326-M329 HydrophobicContact CB-CG 4.37Å; Q326-M329 HydrophobicContact CB-SD 3.81Å; Q326-M329 WeakPolarHBondContact O-CG 3.46Å; Q326-M329 PolarHBondContact O-N 3.3Å
327	V	97.1	Very high	97.3	Very high	30 Å²	30	54.7 Å²	54.7	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-51.8	-30.4	-172	71	0	0	0	0	114.4	C324 M329 F330 K331 V337	C324-V327 HydrophobicContact CB-CB 4.12Å; C324-V327 WeakPolarHBondContact O-CB 3.39Å; C324-V327 PolarHBondContact O-N 2.99Å; V327-M329 VanDerWaalsContact C-N 3.26Å; V327-M329 PolarHBondContact O-N 3.09Å; V327-F330 WeakPolarHBondContact O-CB 3.14Å; V327-F330 PolarHBondContact O-N 3.32Å; V327-K331 PolarHBondContact O-N 3.49Å; V327-V337 HydrophobicContact CG2-CG1 4.2Å; V327-V337 HydrophobicContact CG2-CG2 4.12Å
328	D	97	Very high	97.3	Very high	90 Å²	90	55.7 Å²	55.7	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-67.6	-23	-179.2	-67.5	-21.8	0	0	0	113.4	Q326 F330 K331 K332	Q326-D328 PolarHBondContact O-N 2.95Å; D328-F330 VanDerWaalsContact C-N 3.32Å; D328-K331 PolarHBondContact O-N 3.22Å; D328-K331 IonicContact OD1-NZ 3.65Å; D328-K331 PolarHBondContact OD1-NZ 2.76Å; D328-K332 WeakPolarHBondContact O-CB 3.16Å; D328-K332 VanDerWaalsContact O-CG 3.24Å; D328-K332 WeakPolarHBondContact O-CG 3.45Å; D328-K332 PolarHBondContact O-N 2.97Å
329	M	96.4	Very high	97.3	Very high	55 Å²	55	62.5 Å²	62.5	27%	0.271	33%	0.326	S	S	.	.	H	α-helix	trans	-64.3	-39.6	172.9	79.1	-173	-83.7	0	0	111.2	F266 I294 Q326 V327 K332 A333 F422	F266-M329 HydrophobicContact CE1-CE 4.12Å; I294-M329 HydrophobicContact CG2-SD 4.27Å; Q326-M329 HydrophobicContact CB-CG 4.37Å; Q326-M329 HydrophobicContact CB-SD 3.81Å; Q326-M329 WeakPolarHBondContact O-CG 3.46Å; Q326-M329 PolarHBondContact O-N 3.3Å; V327-M329 VanDerWaalsContact C-N 3.26Å; V327-M329 PolarHBondContact O-N 3.09Å; M329-K332 PolarHBondContact O-N 3.41Å; M329-A333 PolarHBondContact O-N 2.93Å; M329-F422 HydrophobicContact CB-CZ 3.87Å; M329-F422 HydrophobicContact CE-CE1 3.48Å; M329-F422 VanDerWaalsContact CE-CE1 3.48Å; M329-F422 HydrophobicContact CE-CE2 4.12Å; M329-F422 HydrophobicContact CE-CZ 3.27Å; M329-F422 HydrophobicContact CG-CE2 4.22Å; M329-F422 HydrophobicContact CG-CZ 3.63Å; M329-F422 WeakPolarHBondContact O-CZ 2.98Å; M329-F422 HydrophobicContact SD-CZ 4.31Å
330	F	97.9	Very high	97.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-69.4	-44	177.3	-61.4	-86.5	0	0	0	111.4	F266 I294 F308 V327 D328 K332 A333 G334 W335 V337 F422	F266-F330 HydrophobicContact CD1-CE1 4.01Å; F266-F330 AromaticContact CD1-CZ 3.62Å; F266-F330 HydrophobicContact CD1-CZ 3.62Å; F266-F330 HydrophobicContact CD2-CE1 4.48Å; F266-F330 AromaticContact CE1-CE1 3.52Å; F266-F330 HydrophobicContact CE1-CE1 3.52Å; F266-F330 AromaticContact CE1-CZ 3.47Å; F266-F330 HydrophobicContact CE1-CZ 3.47Å; F266-F330 VanDerWaalsContact CE1-CZ 3.47Å; F266-F330 HydrophobicContact CE2-CE1 4.04Å; F266-F330 HydrophobicContact CG-CE1 4.47Å; F266-F330 HydrophobicContact CG-CZ 4.27Å; F266-F330 AromaticContact CZ-CE1 3.54Å; F266-F330 HydrophobicContact CZ-CE1 3.54Å; F266-F330 HydrophobicContact CZ-CZ 4Å; I294-F330 HydrophobicContact CD1-CZ 4.23Å; I294-F330 HydrophobicContact CG2-CE2 4.34Å; I294-F330 HydrophobicContact CG2-CZ 4.36Å; F308-F330 HydrophobicContact CE1-CD1 4.23Å; F308-F330 AromaticContact CE1-CE1 3.58Å; F308-F330 HydrophobicContact CE1-CE1 3.58Å; F308-F330 HydrophobicContact CE1-CE2 4.02Å; F308-F330 AromaticContact CE1-CZ 3.45Å; F308-F330 HydrophobicContact CE1-CZ 3.45Å; F308-F330 VanDerWaalsContact CE1-CZ 3.45Å; F308-F330 AromaticContact CZ-CD1 3.9Å; F308-F330 HydrophobicContact CZ-CD1 3.9Å; F308-F330 AromaticContact CZ-CD2 3.87Å; F308-F330 HydrophobicContact CZ-CD2 3.87Å; F308-F330 AromaticContact CZ-CE1 3.68Å; F308-F330 HydrophobicContact CZ-CE1 3.68Å; F308-F330 AromaticContact CZ-CE2 3.65Å; F308-F330 HydrophobicContact CZ-CE2 3.65Å; F308-F330 AromaticContact CZ-CG 3.99Å; F308-F330 HydrophobicContact CZ-CG 3.99Å; F308-F330 AromaticContact CZ-CZ 3.55Å; F308-F330 HydrophobicContact CZ-CZ 3.55Å; V327-F330 WeakPolarHBondContact O-CB 3.14Å; V327-F330 PolarHBondContact O-N 3.32Å; D328-F330 VanDerWaalsContact C-N 3.32Å; F330-K332 VanDerWaalsContact C-N 3.3Å; F330-K332 PolarHBondContact O-N 3.18Å; F330-A333 CarbonylContact O-C 3.49Å; F330-A333 PolarHBondContact O-N 3.5Å; F330-A333 VanDerWaalsContact O-N 3.16Å; F330-G334 PolarHBondContact O-N 2.8Å; F330-W335 HydrophobicContact CB-CB 4.05Å; F330-W335 HydrophobicContact CB-CG 4.31Å; F330-W335 AromaticContact CD1-CD2 3.87Å; F330-W335 HydrophobicContact CD1-CD2 3.87Å; F330-W335 AromaticContact CD1-CE3 3.58Å; F330-W335 HydrophobicContact CD1-CE3 3.58Å; F330-W335 HydrophobicContact CD1-CG 4.46Å; F330-W335 HydrophobicContact CD1-CH2 4.44Å; F330-W335 AromaticContact CD1-CZ3 3.88Å; F330-W335 HydrophobicContact CD1-CZ3 3.88Å; F330-W335 HydrophobicContact CE1-CE3 4.23Å; F330-W335 HydrophobicContact CE1-CH2 4.44Å; F330-W335 HydrophobicContact CE1-CZ3 4.06Å; F330-W335 VanDerWaalsContact O-CB 3.32Å; F330-W335 WeakPolarHBondContact O-CB 3.49Å; F330-W335 PolarHBondContact O-N 3.11Å; F330-V337 HydrophobicContact CB-CG2 4.44Å; F330-F422 HydrophobicContact CD1-CD2 4.4Å; F330-F422 AromaticContact CD1-CE2 3.77Å; F330-F422 HydrophobicContact CD1-CE2 3.77Å; F330-F422 HydrophobicContact CE1-CE2 4.11Å; F330-F422 HydrophobicContact CG-CE2 4.25Å
331	K	96.4	Very high	97.4	Very high	115 Å²	115	62.5 Å²	62.5	50%	0.5	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-40.6	175.7	-63.2	178.5	-166.3	154.2	0	112	V327 D328 A333 G334	V327-K331 PolarHBondContact O-N 3.49Å; D328-K331 PolarHBondContact O-N 3.22Å; D328-K331 IonicContact OD1-NZ 3.65Å; D328-K331 PolarHBondContact OD1-NZ 2.76Å; K331-A333 VanDerWaalsContact C-N 3.32Å; K331-G334 PolarHBondContact O-N 3.32Å
332	K	96.8	Very high	97.5	Very high	184 Å²	184	62.6 Å²	62.6	80%	0.8	33%	0.331	S	S	*	.	H	α-helix	trans	-65.3	-35.3	176.4	-75.8	173.6	-178.7	179.2	0	112.3	D328 M329 F330 G334	D328-K332 WeakPolarHBondContact O-CB 3.16Å; D328-K332 VanDerWaalsContact O-CG 3.24Å; D328-K332 WeakPolarHBondContact O-CG 3.45Å; D328-K332 PolarHBondContact O-N 2.97Å; M329-K332 PolarHBondContact O-N 3.41Å; F330-K332 VanDerWaalsContact C-N 3.3Å; F330-K332 PolarHBondContact O-N 3.18Å; K332-G334 PolarHBondContact O-N 3.38Å
333	A	96.9	Very high	97.6	Very high	22 Å²	22	62.9 Å²	62.9	18%	0.182	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	4.4	171.8	0	0	0	0	0	113.6	M329 F330 K331 F422	M329-A333 PolarHBondContact O-N 2.93Å; F330-A333 CarbonylContact O-C 3.49Å; F330-A333 PolarHBondContact O-N 3.5Å; F330-A333 VanDerWaalsContact O-N 3.16Å; K331-A333 VanDerWaalsContact C-N 3.32Å; A333-F422 HydrophobicContact CB-CD2 3.89Å; A333-F422 HydrophobicContact CB-CE2 3.74Å; A333-F422 HydrophobicContact CB-CG 4.39Å; A333-F422 HydrophobicContact CB-CZ 4.11Å
334	G	97.6	Very high	97.7	Very high	61 Å²	61	64.1 Å²	64.1	63%	0.629	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	14.2	178.6	0	0	0	0	0	114.9	F330 K331 K332	F330-G334 PolarHBondContact O-N 2.8Å; K331-G334 PolarHBondContact O-N 3.32Å; K332-G334 PolarHBondContact O-N 3.38Å
335	W	98.4	Very high	97.7	Very high	13 Å²	13	64.2 Å²	64.2	5%	0.049	34%	0.337	C	S	.	.			trans	-75.2	141	-178.7	-70.3	32.7	0	0	0	112	A261 F266 I310 G314 V316 F330 Y421 F422	A261-W335 HydrophobicContact CB-CH2 3.89Å; A261-W335 HydrophobicContact CB-CZ2 4.37Å; F266-W335 HydrophobicContact CE2-CH2 4.18Å; I310-W335 HydrophobicContact CD1-CH2 4Å; I310-W335 HydrophobicContact CD1-CZ3 3.93Å; I310-W335 HydrophobicContact CG1-CZ3 4.07Å; I310-W335 HydrophobicContact CG2-CH2 3.93Å; I310-W335 HydrophobicContact CG2-CZ3 3.66Å; G314-W335 CarbonylContact O-C 3.51Å; G314-W335 WeakPolarHBondContact O-CA 3.32Å; V316-W335 HydrophobicContact CB-CE3 4.21Å; V316-W335 HydrophobicContact CB-CZ3 4.37Å; V316-W335 HydrophobicContact CG1-CE3 4.12Å; F330-W335 HydrophobicContact CB-CB 4.05Å; F330-W335 HydrophobicContact CB-CG 4.31Å; F330-W335 AromaticContact CD1-CD2 3.87Å; F330-W335 HydrophobicContact CD1-CD2 3.87Å; F330-W335 AromaticContact CD1-CE3 3.58Å; F330-W335 HydrophobicContact CD1-CE3 3.58Å; F330-W335 HydrophobicContact CD1-CG 4.46Å; F330-W335 HydrophobicContact CD1-CH2 4.44Å; F330-W335 AromaticContact CD1-CZ3 3.88Å; F330-W335 HydrophobicContact CD1-CZ3 3.88Å; F330-W335 HydrophobicContact CE1-CE3 4.23Å; F330-W335 HydrophobicContact CE1-CH2 4.44Å; F330-W335 HydrophobicContact CE1-CZ3 4.06Å; F330-W335 VanDerWaalsContact O-CB 3.32Å; F330-W335 WeakPolarHBondContact O-CB 3.49Å; F330-W335 PolarHBondContact O-N 3.11Å; W335-Y421 PolarHBondContact NE1-O 2.75Å; W335-F422 HydrophobicContact CZ2-CD2 4.09Å; W335-F422 AromaticContact NE1-CD2 3.99Å
336	T	98.4	Very high	97.8	Very high	80 Å²	80	59.5 Å²	59.5	49%	0.491	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	114.1	168.8	-58.9	0	0	0	0	109.5	G314 L315 V316 V338	G314-T336 PolarHBondContact O-N 2.99Å; L315-T336 HydrophobicContact CD1-CG2 3.78Å; V316-T336 PolarHBondContact N-O 3.14Å; T336-V338 HydrophobicContact CG2-CG2 3.95Å
337	V	98.3	Very high	97.7	Very high	42 Å²	42	61.8 Å²	61.8	26%	0.255	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	106.2	177	-176.2	0	0	0	0	109.2	V316 V327 F330	V316-V337 HydrophobicContact CG1-CB 4.28Å; V316-V337 HydrophobicContact CG1-CG1 4.29Å; V316-V337 HydrophobicContact CG1-CG2 3.9Å; V327-V337 HydrophobicContact CG2-CG1 4.2Å; V327-V337 HydrophobicContact CG2-CG2 4.12Å; F330-V337 HydrophobicContact CB-CG2 4.44Å
338	V	98.4	Very high	97.6	Very high	21 Å²	21	66.8 Å²	66.8	13%	0.127	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.2	-179.7	-179.1	0	0	0	0	109.7	L315 V316 L317 S318 T336 M382 L386	L315-V338 HydrophobicContact CD1-CG2 3.75Å; V316-V338 PolarHBondContact O-N 2.89Å; L317-V338 CarbonylContact C-O 3.46Å; L317-V338 WeakPolarHBondContact CA-O 3.45Å; L317-V338 HydrophobicContact CD2-CB 3.98Å; L317-V338 HydrophobicContact CD2-CG1 4.12Å; S318-V338 PolarHBondContact N-O 2.95Å; T336-V338 HydrophobicContact CG2-CG2 3.95Å; V338-M382 HydrophobicContact CG1-CG 4.11Å; V338-M382 HydrophobicContact CG1-SD 3.59Å; V338-M382 VanDerWaalsContact CG1-SD 3.59Å; V338-L386 HydrophobicContact CG1-CD1 4.42Å; V338-L386 HydrophobicContact CG2-CD1 4.26Å; V338-L386 HydrophobicContact CG2-CD2 4.28Å
339	K	98.5	Very high	97.7	Very high	150 Å²	150	63.8 Å²	63.8	65%	0.652	35%	0.349	S	S	*	.			trans	-97.2	115.5	171.7	-65.9	-178.1	-179.9	-177.1	0	109	P320	P320-K339 HydrophobicContact CB-CD 4.41Å
340	P	98.4	Very high	97.8	Very high	5 Å²	5	63 Å²	63	3%	0.032	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-67	153.1	176.8	27.1	-31.9	0	0	0	111.5	S318 W357 M360 I379 M382	S318-P340 WeakPolarHBondContact O-CD 3.44Å; P340-W357 HydrophobicContact CG-CZ3 4.1Å; P340-M360 HydrophobicContact CB-CB 4.29Å; P340-M360 HydrophobicContact CG-CB 3.97Å; P340-M360 HydrophobicContact CG-CE 4.25Å; P340-M360 HydrophobicContact CG-CG 4.34Å; P340-M360 HydrophobicContact CG-SD 3.61Å; P340-I379 HydrophobicContact CB-CD1 3.87Å; P340-I379 HydrophobicContact CB-CG1 4.36Å; P340-M382 HydrophobicContact CB-SD 4.07Å
341	P	98.5	Very high	97.8	Very high	42 Å²	42	63.7 Å²	63.7	27%	0.273	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-67.6	160.9	173.4	30.2	-34.1	0	0	0	111.3	W357 I379	P341-W357 WeakPolarHBondContact O-CZ3 3.34Å; P341-I379 HydrophobicContact CG-CB 4.02Å; P341-I379 HydrophobicContact CG-CG1 4.35Å
342	T	98.2	Very high	97.8	Very high	104 Å²	104	59 Å²	59	64%	0.638	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-57.9	137.5	176.5	-50.1	0	0	0	0	111.1
343	P	98.3	Very high	97.8	Very high	17 Å²	17	50.8 Å²	50.8	11%	0.11	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-59.7	149	176.4	-19.2	28.6	0	0	0	113	I345 K356 W357 S359 E376	P343-I345 HydrophobicContact CB-CG2 4.23Å; P343-K356 HydrophobicContact CB-CB 3.95Å; P343-K356 WeakPolarHBondContact CB-O 3.22Å; P343-K356 VanDerWaalsContact CG-C 3.48Å; P343-K356 HydrophobicContact CG-CB 3.92Å; P343-K356 WeakPolarHBondContact CG-O 3.42Å; P343-W357 HydrophobicContact CG-CD2 3.99Å; P343-W357 HydrophobicContact CG-CE3 3.86Å; P343-W357 HydrophobicContact CG-CG 4.44Å; P343-W357 HydrophobicContact CG-CZ3 4.21Å; P343-S359 WeakPolarHBondContact CG-OG 3.2Å; P343-E376 WeakPolarHBondContact CA-OE2 3.48Å
344	L	98.3	Very high	97.7	Very high	90 Å²	90	51.2 Å²	51.2	47%	0.471	30%	0.297	S	S	.	.			trans	-99.5	-4.8	178.5	-59.1	-179.1	0	0	0	113.2	E376 T378	L344-E376 WeakPolarHBondContact CB-OE2 3.38Å; L344-E376 PolarHBondContact N-OE1 3.22Å; L344-E376 PolarHBondContact N-OE2 3.43Å; L344-T378 HydrophobicContact CD1-CG2 4.18Å; L344-T378 HydrophobicContact CD2-CG2 4.18Å; L344-T378 HydrophobicContact CG-CG2 4.47Å
345	I	98	Very high	97.6	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.041	27%	0.271	C	S	.	.			trans	-56.5	130.3	177	-167	165	0	0	0	111.7	P343 H349 L351 K356 E376	P343-I345 HydrophobicContact CB-CG2 4.23Å; I345-H349 HydrophobicContact CG1-CB 4.16Å; I345-L351 HydrophobicContact CD1-CD1 4.34Å; I345-L351 HydrophobicContact CD1-CD2 4.17Å; I345-K356 HydrophobicContact CG2-CB 3.53Å; I345-K356 HydrophobicContact CG2-CD 3.87Å; I345-K356 HydrophobicContact CG2-CG 3.56Å; I345-E376 PolarHBondContact N-OE1 3.36Å
346	P	97.7	Very high	97.6	Very high	56 Å²	56	51.6 Å²	51.6	36%	0.364	28%	0.283	S	S	.	.			trans	-61.7	144.6	179.4	-26.8	36.4	0	0	0	114.2	D348 H349	P346-D348 WeakPolarHBondContact CB-OD1 3.42Å; P346-D348 PolarHBondContact O-N 3.03Å; P346-H349 WeakPolarHBondContact O-CB 3.48Å; P346-H349 PolarHBondContact O-N 3.04Å; P346-H349 VanDerWaalsContact O-N 3.16Å
347	D	95.8	Very high	97.5	Very high	112 Å²	112	48.5 Å²	48.5	60%	0.599	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.7	179.5	-71.1	43.6	0	0	0	114.4	K102 K356	K102-D347 PolarHBondContact NZ-O 3.14Å; D347-K356 IonicContact OD1-NZ 3.75Å; D347-K356 PolarHBondContact OD1-NZ 3.24Å; D347-K356 IonicContact OD2-NZ 3.67Å; D347-K356 PolarHBondContact OD2-NZ 3.44Å
348	D	96.1	Very high	97.5	Very high	136 Å²	136	46.9 Å²	46.9	73%	0.727	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-14.8	177.2	65.2	-24.5	0	0	0	112.8	P346	P346-D348 WeakPolarHBondContact CB-OD1 3.42Å; P346-D348 PolarHBondContact O-N 3.03Å
349	H	98.1	Very high	97.5	Very high	26 Å²	26	46.1 Å²	46.1	12%	0.12	25%	0.248	C	C	.	.	S	Bend	trans	-65.2	129.5	172.8	-173.8	77.1	0	0	0	110.4	I345 P346 L351 R396 S400	I345-H349 HydrophobicContact CG1-CB 4.16Å; P346-H349 WeakPolarHBondContact O-CB 3.48Å; P346-H349 PolarHBondContact O-N 3.04Å; P346-H349 VanDerWaalsContact O-N 3.16Å; H349-L351 PolarHBondContact O-N 2.76Å; H349-R396 VanDerWaalsContact CE1-CG 3.48Å; H349-R396 WeakPolarHBondContact CE1-CG 3.31Å; H349-R396 PolarHBondContact CE1-O 3.15Å; H349-R396 VanDerWaalsContact CE1-O 3.27Å; H349-R396 PolarHBondContact NE2-O 2.64Å; H349-S400 PolarHBondContact NE2-OG 3.11Å
350	P	97.9	Very high	97.6	Very high	39 Å²	39	39 Å²	39	25%	0.253	22%	0.217	S	C	.	.			trans	-70.3	125.6	-178.9	28.1	-34.1	0	0	0	111	S400	P350-S400 WeakPolarHBondContact O-CA 2.93Å; P350-S400 WeakPolarHBondContact O-CB 3.31Å; P350-S400 PolarHBondContact O-OG 3.34Å
351	L	97.9	Very high	97.6	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.073	22%	0.216	C	C	.	.			trans	-122.2	85.9	166	-67.1	177	0	0	0	107.5	Y103 I345 H349 M353 K356 L358 N399	Y103-L351 WeakPolarHBondContact CD2-O 3.42Å; Y103-L351 WeakPolarHBondContact CE2-O 3.47Å; Y103-L351 PolarHBondContact OH-N 2.93Å; Y103-L351 VanDerWaalsContact OH-N 3.14Å; I345-L351 HydrophobicContact CD1-CD1 4.34Å; I345-L351 HydrophobicContact CD1-CD2 4.17Å; H349-L351 PolarHBondContact O-N 2.76Å; L351-M353 PolarHBondContact O-N 3.48Å; L351-K356 HydrophobicContact CD1-CG 4.19Å; L351-L358 HydrophobicContact CD2-CD1 4.35Å; L351-N399 HydrophobicContact CD2-CB 4.08Å
352	W	98.1	Very high	97.6	Very high	16 Å²	16	36.8 Å²	36.8	6%	0.061	20%	0.203	C	C	.	.	S	Bend	trans	-60.2	-31.7	-176.1	-62.3	-62	0	0	0	111.7	Y103 F106 Y107 F115 P116 H119 S400 L401	Y103-W352 AromaticContact CD1-CD1 3.97Å; F106-W352 AromaticContact CD1-CD1 3.62Å; F106-W352 HydrophobicContact CD1-CG 4.36Å; F106-W352 AromaticContact CD2-NE1 3.96Å; F106-W352 AromaticContact CE1-CD1 3.53Å; F106-W352 HydrophobicContact CE1-CD2 4.39Å; F106-W352 AromaticContact CE1-CG 3.96Å; F106-W352 HydrophobicContact CE1-CG 3.96Å; F106-W352 AromaticContact CE1-NE1 3.73Å; F106-W352 AromaticContact CE2-NE1 3.69Å; F106-W352 AromaticContact CZ-CD1 3.88Å; F106-W352 HydrophobicContact CZ-CD2 4.37Å; F106-W352 AromaticContact CZ-CE2 3.91Å; F106-W352 HydrophobicContact CZ-CG 4.37Å; F106-W352 HydrophobicContact CZ-CZ2 4.46Å; F106-W352 AromaticContact CZ-NE1 3.56Å; Y107-W352 WeakPolarHBondContact OH-CB 3.46Å; Y107-W352 PolarHBondContact OH-O 3.06Å; F115-W352 AromaticContact CD1-CD2 3.7Å; F115-W352 HydrophobicContact CD1-CD2 3.7Å; F115-W352 AromaticContact CD1-CE3 3.33Å; F115-W352 HydrophobicContact CD1-CE3 3.33Å; F115-W352 HydrophobicContact CD1-CG 4.45Å; F115-W352 AromaticContact CD1-CH2 3.93Å; F115-W352 HydrophobicContact CD1-CH2 3.93Å; F115-W352 HydrophobicContact CD1-CZ2 4.23Å; F115-W352 AromaticContact CD1-CZ3 3.46Å; F115-W352 HydrophobicContact CD1-CZ3 3.46Å; F115-W352 VanDerWaalsContact CD1-CZ3 3.46Å; F115-W352 HydrophobicContact CE1-CB 4.09Å; F115-W352 AromaticContact CE1-CD2 3.55Å; F115-W352 HydrophobicContact CE1-CD2 3.55Å; F115-W352 AromaticContact CE1-CE3 3.35Å; F115-W352 HydrophobicContact CE1-CE3 3.35Å; F115-W352 AromaticContact CE1-CG 3.88Å; F115-W352 HydrophobicContact CE1-CG 3.88Å; F115-W352 AromaticContact CE1-CZ3 4Å; F115-W352 HydrophobicContact CE1-CZ3 4Å; F115-W352 HydrophobicContact CG-CE3 4.42Å; F115-W352 HydrophobicContact CG-CZ3 4.26Å; F115-W352 HydrophobicContact CZ-CE3 4.45Å; P116-W352 HydrophobicContact CG-CH2 4.14Å; P116-W352 HydrophobicContact CG-CZ2 3.82Å; H119-W352 HydrophobicContact CB-CH2 4.01Å; H119-W352 AromaticContact CD2-CH2 3.66Å; H119-W352 AromaticContact CD2-CZ3 3.81Å; H119-W352 AromaticContact CG-CH2 3.62Å; W352-S400 VanDerWaalsContact CE3-O 3.25Å; W352-S400 PolarHBondContact N-O 2.88Å; W352-L401 HydrophobicContact CE3-CD2 4.11Å; W352-L401 HydrophobicContact CZ3-CD2 3.92Å
353	M	96.3	Very high	97.6	Very high	13 Å²	13	31.9 Å²	31.9	6%	0.064	17%	0.172	C	C	.	.	S	Bend	trans	-130.2	167.2	173.1	-67.8	172.2	-82.8	0	0	110.2	T99 Y107 F115 M163 Y164 W186 L351 L401	T99-M353 HydrophobicContact CG2-CG 4.29Å; Y107-M353 VanDerWaalsContact OH-CG 3.25Å; Y107-M353 WeakPolarHBondContact OH-CG 3.38Å; F115-M353 HydrophobicContact CZ-CE 4.07Å; M163-M353 HydrophobicContact CE-CE 3.36Å; M163-M353 HydrophobicContact CE-SD 3.14Å; M163-M353 WeakPolarHBondContact CE-SD 3.22Å; Y164-M353 HydrophobicContact CE1-CE 4.46Å; W186-M353 HydrophobicContact CH2-SD 4.17Å; W186-M353 HydrophobicContact CZ3-SD 4.32Å; L351-M353 PolarHBondContact O-N 3.48Å; M353-L401 WeakPolarHBondContact CE-O 3.19Å
354	S	94.8	Very high	97.7	Very high	31 Å²	31	31.2 Å²	31.2	22%	0.217	17%	0.168	C	C	.	.	S	Bend	trans	59.5	-161.8	-175.8	-164.2	0	0	0	0	112.9	Y100 L358 G402	Y100-S354 WeakPolarHBondContact CE2-O 3.43Å; S354-L358 WeakPolarHBondContact OG-CD2 3.15Å; S354-G402 VanDerWaalsContact CB-O 3.22Å; S354-G402 WeakPolarHBondContact CB-O 3.46Å
355	S	95.7	Very high	97.7	Very high	9 Å²	9	26.9 Å²	26.9	6%	0.063	15%	0.145	C	C	.	.			trans	-139.1	174.5	-173.9	69	0	0	0	0	110.5	R322 W357 L358	R322-S355 PolarHBondContact NH2-OG 3.32Å; S355-W357 PolarHBondContact O-N 3.29Å; S355-W357 PolarHBondContact OG-N 3.13Å; S355-L358 WeakPolarHBondContact O-CG 3.42Å; S355-L358 PolarHBondContact O-N 2.98Å
356	K	97	Very high	97.7	Very high	72 Å²	72	27.8 Å²	27.8	31%	0.313	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-58	-20.1	177	-58.7	-171.8	-169	163.2	0	114	P343 I345 D347 L351 L358 S359	P343-K356 HydrophobicContact CB-CB 3.95Å; P343-K356 WeakPolarHBondContact CB-O 3.22Å; P343-K356 VanDerWaalsContact CG-C 3.48Å; P343-K356 HydrophobicContact CG-CB 3.92Å; P343-K356 WeakPolarHBondContact CG-O 3.42Å; I345-K356 HydrophobicContact CG2-CB 3.53Å; I345-K356 HydrophobicContact CG2-CD 3.87Å; I345-K356 HydrophobicContact CG2-CG 3.56Å; D347-K356 IonicContact OD1-NZ 3.75Å; D347-K356 PolarHBondContact OD1-NZ 3.24Å; D347-K356 IonicContact OD2-NZ 3.67Å; D347-K356 PolarHBondContact OD2-NZ 3.44Å; L351-K356 HydrophobicContact CD1-CG 4.19Å; K356-L358 PolarHBondContact O-N 3.32Å; K356-S359 PolarHBondContact O-N 3.23Å
357	W	98	Very high	97.8	Very high	15 Å²	15	29 Å²	29	6%	0.057	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-67	4.8	177.3	-71.2	111.9	0	0	0	115	N319 P320 D321 P340 P341 P343 S355 S359 M360	N319-W357 WeakPolarHBondContact ND2-CB 3.41Å; N319-W357 VanDerWaalsContact ND2-CD1 3.32Å; P320-W357 VanDerWaalsContact CD-CH2 3.43Å; P320-W357 HydrophobicContact CG-CH2 3.26Å; P320-W357 HydrophobicContact CG-CZ2 3.65Å; P320-W357 HydrophobicContact CG-CZ3 4.1Å; D321-W357 HydrophobicContact CB-CZ2 4.46Å; D321-W357 WeakPolarHBondContact OD2-CZ2 3.4Å; D321-W357 PolarHBondContact OD2-NE1 2.87Å; P340-W357 HydrophobicContact CG-CZ3 4.1Å; P341-W357 WeakPolarHBondContact O-CZ3 3.34Å; P343-W357 HydrophobicContact CG-CD2 3.99Å; P343-W357 HydrophobicContact CG-CE3 3.86Å; P343-W357 HydrophobicContact CG-CG 4.44Å; P343-W357 HydrophobicContact CG-CZ3 4.21Å; S355-W357 PolarHBondContact O-N 3.29Å; S355-W357 PolarHBondContact OG-N 3.13Å; W357-S359 PolarHBondContact O-N 2.77Å; W357-M360 HydrophobicContact CE3-CG 4.31Å; W357-M360 HydrophobicContact CE3-SD 4.05Å; W357-M360 WeakPolarHBondContact O-CG 3.27Å; W357-M360 PolarHBondContact O-N 2.93Å; W357-M360 VanDerWaalsContact O-N 3.1Å
358	L	98.4	Very high	97.9	Very high	9 Å²	9	29.4 Å²	29.4	5%	0.047	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-55.7	-17.5	164.3	-69.1	-177.6	0	0	0	113.3	L351 S354 S355 K356 M360 N361 N399	L351-L358 HydrophobicContact CD2-CD1 4.35Å; S354-L358 WeakPolarHBondContact OG-CD2 3.15Å; S355-L358 WeakPolarHBondContact O-CG 3.42Å; S355-L358 PolarHBondContact O-N 2.98Å; K356-L358 PolarHBondContact O-N 3.32Å; L358-M360 PolarHBondContact O-N 3.08Å; L358-N361 HydrophobicContact CD2-CB 4.1Å; L358-N361 WeakPolarHBondContact O-CB 3.18Å; L358-N361 PolarHBondContact O-N 3.34Å; L358-N399 HydrophobicContact CD1-CB 3.78Å; L358-N399 WeakPolarHBondContact CD1-O 3.38Å
359	S	98.6	Very high	98.1	Very high	5 Å²	5	25.6 Å²	25.6	4%	0.035	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-56	-32.1	171.3	65.6	0	0	0	0	114	P343 K356 W357 I379	P343-S359 WeakPolarHBondContact CG-OG 3.2Å; K356-S359 PolarHBondContact O-N 3.23Å; W357-S359 PolarHBondContact O-N 2.77Å; S359-I379 WeakPolarHBondContact O-CD1 3.11Å
360	M	98.7	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-97.2	0.6	176.8	65	174.3	-72.3	0	0	113.8	N309 L317 N319 P340 W357 L358 V362 I379	N309-M360 HydrophobicContact CB-CE 4.39Å; N309-M360 PolarHBondContact ND2-O 3.38Å; L317-M360 HydrophobicContact CB-CE 3.81Å; L317-M360 HydrophobicContact CD1-CB 4.33Å; L317-M360 WeakPolarHBondContact O-CE 3.41Å; N319-M360 HydrophobicContact CB-CE 4.14Å; N319-M360 HydrophobicContact CB-SD 3.59Å; N319-M360 VanDerWaalsContact CB-SD 3.59Å; P340-M360 HydrophobicContact CB-CB 4.29Å; P340-M360 HydrophobicContact CG-CB 3.97Å; P340-M360 HydrophobicContact CG-CE 4.25Å; P340-M360 HydrophobicContact CG-CG 4.34Å; P340-M360 HydrophobicContact CG-SD 3.61Å; W357-M360 HydrophobicContact CE3-CG 4.31Å; W357-M360 HydrophobicContact CE3-SD 4.05Å; W357-M360 WeakPolarHBondContact O-CG 3.27Å; W357-M360 PolarHBondContact O-N 2.93Å; W357-M360 VanDerWaalsContact O-N 3.1Å; L358-M360 PolarHBondContact O-N 3.08Å; M360-V362 PolarHBondContact O-N 3Å; M360-I379 HydrophobicContact CB-CD1 4.16Å
361	N	98.8	Very high	98.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.105	C	C	.	.			trans	-79.8	56.2	174.5	-169.3	-110.3	0	0	0	110.7	D305 A306 L358 G404 F405 H406 C407	D305-N361 PolarHBondContact O-ND2 3.41Å; D305-N361 PolarHBondContact OD1-ND2 3.4Å; D305-N361 PolarHBondContact OD2-ND2 3.41Å; A306-N361 HydrophobicContact CB-CB 4.46Å; L358-N361 HydrophobicContact CD2-CB 4.1Å; L358-N361 WeakPolarHBondContact O-CB 3.18Å; L358-N361 PolarHBondContact O-N 3.34Å; N361-G404 CarbonylContact O-C 3.55Å; N361-G404 WeakPolarHBondContact OD1-CA 3.37Å; N361-G404 PolarHBondContact OD1-N 3.14Å; N361-G404 PolarHBondContact OD1-O 3.33Å; N361-F405 PolarHBondContact O-N 3.32Å; N361-H406 PolarHBondContact O-N 2.83Å; N361-H406 VanDerWaalsContact O-N 3.16Å; N361-H406 PolarHBondContact OD1-N 3.27Å; N361-C407 PolarHBondContact ND2-SG 3.12Å; N361-C407 PolarHBondContact OD1-N 2.82Å; N361-C407 VanDerWaalsContact OD1-N 3.11Å; N361-C407 PolarHBondContact OD1-SG 3.17Å
362	V	98.9	Very high	98.2	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	10%	0.102	C	C	.	.			trans	-84.6	156.5	-173.7	-62.3	0	0	0	0	112.2	N309 I311 L317 M360 V370 M371 V372 F383 H406	N309-V362 PolarHBondContact ND2-N 2.89Å; N309-V362 PolarHBondContact ND2-O 3.21Å; I311-V362 HydrophobicContact CG2-CG2 4Å; L317-V362 HydrophobicContact CD1-CG2 4.17Å; M360-V362 PolarHBondContact O-N 3Å; V362-V370 HydrophobicContact CB-CG2 3.57Å; V362-V370 HydrophobicContact CG1-CG2 4.09Å; V362-V370 HydrophobicContact CG2-CG2 3.76Å; V362-M371 WeakPolarHBondContact CB-O 3.42Å; V362-V372 HydrophobicContact CG1-CB 4.25Å; V362-V372 HydrophobicContact CG1-CG2 4Å; V362-F383 HydrophobicContact CB-CZ 4.43Å; V362-F383 HydrophobicContact CG1-CE2 3.99Å; V362-F383 HydrophobicContact CG1-CZ 3.91Å; V362-F383 HydrophobicContact CG2-CZ 3.97Å; V362-H406 WeakPolarHBondContact O-CB 3.42Å
363	L	98.9	Very high	98.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.9	172.1	172.5	67	0	0	0	109.3	L75 L134 L365 M371 F405 T409	L75-L363 HydrophobicContact CD2-CD2 4.29Å; L134-L363 HydrophobicContact CD2-CD2 4.34Å; L363-L365 HydrophobicContact CD2-CD2 4.17Å; L363-L365 HydrophobicContact CG-CD2 4.3Å; L363-M371 HydrophobicContact CB-CB 4.38Å; L363-M371 PolarHBondContact N-O 3.41Å; L363-M371 PolarHBondContact O-N 3.43Å; L363-F405 HydrophobicContact CB-CB 3.68Å; L363-T409 HydrophobicContact CD2-CG2 3.95Å
364	M	98.9	Very high	98.4	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.015	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.1	170.7	-54.5	-59.1	-63.7	0	0	109.8	E71 W72 I311 D366 V370 I388 R414	E71-M364 WeakPolarHBondContact O-CB 3.49Å; W72-M364 HydrophobicContact CB-CB 4.32Å; W72-M364 HydrophobicContact CB-CG 4.47Å; I311-M364 HydrophobicContact CB-CE 4.39Å; I311-M364 HydrophobicContact CB-CG 3.88Å; I311-M364 HydrophobicContact CB-SD 3.68Å; I311-M364 HydrophobicContact CG2-CG 4.09Å; I311-M364 HydrophobicContact CG2-SD 3.91Å; I311-M364 WeakPolarHBondContact O-CE 3.44Å; M364-D366 WeakPolarHBondContact CE-O 3.3Å; M364-V370 HydrophobicContact CE-CB 4.1Å; M364-V370 HydrophobicContact SD-CB 3.68Å; M364-V370 HydrophobicContact SD-CG2 3.54Å; M364-V370 VanDerWaalsContact SD-CG2 3.54Å; M364-I388 HydrophobicContact CE-CD1 4.5Å; M364-I388 HydrophobicContact CE-CG2 4.08Å; M364-R414 PolarHBondContact O-NH1 2.94Å; M364-R414 PolarHBondContact O-NH2 3.14Å
365	L	98.9	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-30.4	169.2	-56.4	-164.4	0	0	0	111.4	P74 L75 L134 E137 L363 R369 I391	P74-L365 CarbonylContact C-O 3.59Å; P74-L365 WeakPolarHBondContact CA-O 3.07Å; L75-L365 WeakPolarHBondContact CB-O 3.28Å; L75-L365 HydrophobicContact CD2-CD2 3.79Å; L75-L365 PolarHBondContact N-O 3.42Å; L134-L365 HydrophobicContact CD2-CD2 3.7Å; E137-L365 HydrophobicContact CB-CD1 3.69Å; E137-L365 HydrophobicContact CG-CD1 3.74Å; L363-L365 HydrophobicContact CD2-CD2 4.17Å; L363-L365 HydrophobicContact CG-CD2 4.3Å; L365-R369 HydrophobicContact CB-CB 4.08Å; L365-R369 PolarHBondContact N-O 2.7Å; L365-I391 HydrophobicContact CD1-CD1 3.31Å; L365-I391 HydrophobicContact CG-CD1 4.08Å
366	D	98.9	Very high	98.7	Very high	27 Å²	27	24.1 Å²	24.1	14%	0.144	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	-177.4	162.7	54.5	51.6	0	0	0	108.1	W72 P74 M364 K368 R369	W72-D366 CarbonylContact O-C 3.59Å; W72-D366 WeakPolarHBondContact O-CA 3.39Å; P74-D366 HydrophobicContact CB-CB 4.4Å; P74-D366 HydrophobicContact CG-CB 4.2Å; M364-D366 WeakPolarHBondContact CE-O 3.3Å; D366-K368 PolarHBondContact O-N 3.44Å; D366-K368 VanDerWaalsContact OD1-C 3.29Å; D366-K368 WeakPolarHBondContact OD1-CA 2.81Å; D366-K368 PolarHBondContact OD1-N 3.24Å; D366-R369 PolarHBondContact N-O 2.99Å; D366-R369 PolarHBondContact O-N 2.89Å; D366-R369 VanDerWaalsContact O-O 3.09Å; D366-R369 WeakPolarHBondContact OD1-CB 3.06Å; D366-R369 PolarHBondContact OD1-N 3.1Å; D366-R369 IonicContact OD1-NE 2.76Å; D366-R369 IonicContact OD2-CZ 3.76Å; D366-R369 IonicContact OD2-NE 3.76Å; D366-R369 PolarHBondContact OD2-NE 3.06Å; D366-R369 IonicContact OD2-NH2 3.83Å; D366-R369 PolarHBondContact OD2-NH2 3.11Å
367	E	98.8	Very high	98.7	Very high	82 Å²	82	22.1 Å²	22.1	38%	0.383	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-19.4	178	-66	-176.5	-151.2	0	0	115.2	W72	W72-E367 HydrophobicContact CB-CG 4.49Å; W72-E367 HydrophobicContact CG-CG 4.38Å; W72-E367 PolarHBondContact O-N 2.97Å
368	K	98.8	Very high	98.7	Very high	119 Å²	119	23.9 Å²	23.9	52%	0.517	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	2.6	-174.8	-59.7	-60	176.7	-165.5	0	113.4	D366 K389	D366-K368 PolarHBondContact O-N 3.44Å; D366-K368 VanDerWaalsContact OD1-C 3.29Å; D366-K368 WeakPolarHBondContact OD1-CA 2.81Å; D366-K368 PolarHBondContact OD1-N 3.24Å; K368-K389 WeakPolarHBondContact O-CB 3.41Å; K368-K389 PolarHBondContact O-N 3.38Å
369	R	98.9	Very high	98.7	Very high	57 Å²	57	23.5 Å²	23.5	22%	0.215	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	121.7	177.6	-69.8	-172.3	-65.5	155.3	2.4	110.5	E137 L365 D366 K389 I391	E137-R369 IonicContact OE2-CZ 3.87Å; E137-R369 IonicContact OE2-NH1 2.79Å; E137-R369 PolarHBondContact OE2-NH1 3.17Å; L365-R369 HydrophobicContact CB-CB 4.08Å; L365-R369 PolarHBondContact N-O 2.7Å; D366-R369 PolarHBondContact N-O 2.99Å; D366-R369 PolarHBondContact O-N 2.89Å; D366-R369 VanDerWaalsContact O-O 3.09Å; D366-R369 WeakPolarHBondContact OD1-CB 3.06Å; D366-R369 PolarHBondContact OD1-N 3.1Å; D366-R369 IonicContact OD1-NE 2.76Å; D366-R369 IonicContact OD2-CZ 3.76Å; D366-R369 IonicContact OD2-NE 3.76Å; D366-R369 PolarHBondContact OD2-NE 3.06Å; D366-R369 IonicContact OD2-NH2 3.83Å; D366-R369 PolarHBondContact OD2-NH2 3.11Å; R369-K389 WeakPolarHBondContact CA-O 3.01Å; R369-K389 HydrophobicContact CG-CB 4.34Å; R369-K389 HydrophobicContact CG-CD 4.35Å; R369-I391 HydrophobicContact CB-CD1 4.08Å
370	V	98.9	Very high	98.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.2	178.4	65.8	0	0	0	0	110.8	V362 M364 F383 I388 K389 T390 I391	V362-V370 HydrophobicContact CB-CG2 3.57Å; V362-V370 HydrophobicContact CG1-CG2 4.09Å; V362-V370 HydrophobicContact CG2-CG2 3.76Å; M364-V370 HydrophobicContact CE-CB 4.1Å; M364-V370 HydrophobicContact SD-CB 3.68Å; M364-V370 HydrophobicContact SD-CG2 3.54Å; M364-V370 VanDerWaalsContact SD-CG2 3.54Å; V370-F383 HydrophobicContact CB-CE1 4.49Å; V370-F383 HydrophobicContact CG1-CB 4.13Å; V370-F383 HydrophobicContact CG1-CD1 3.89Å; V370-F383 HydrophobicContact CG1-CD2 3.85Å; V370-F383 HydrophobicContact CG1-CE1 4.21Å; V370-F383 HydrophobicContact CG1-CE2 4.17Å; V370-F383 HydrophobicContact CG1-CG 3.7Å; V370-F383 HydrophobicContact CG1-CZ 4.35Å; V370-F383 HydrophobicContact CG2-CE1 4.13Å; V370-F383 HydrophobicContact CG2-CE2 4.24Å; V370-F383 HydrophobicContact CG2-CZ 3.93Å; V370-I388 HydrophobicContact CB-CG2 3.84Å; V370-I388 HydrophobicContact CG1-CG2 3.61Å; V370-K389 PolarHBondContact N-O 3.49Å; V370-T390 HydrophobicContact CG1-CG2 4.11Å; V370-I391 PolarHBondContact O-N 3.46Å
371	M	98.9	Very high	98.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	123.8	167.2	-175.2	171.2	-73.3	0	0	109.7	M130 I133 L134 V362 L363 I391 V393 F405	M130-M371 HydrophobicContact CE-SD 3.89Å; M130-M371 HydrophobicContact CG-SD 3.81Å; M130-M371 HydrophobicContact SD-SD 4.41Å; I133-M371 HydrophobicContact CG2-CE 3.97Å; L134-M371 HydrophobicContact CD2-CE 3.7Å; L134-M371 HydrophobicContact CD2-SD 4.49Å; L134-M371 HydrophobicContact CG-CE 3.8Å; V362-M371 WeakPolarHBondContact CB-O 3.42Å; L363-M371 HydrophobicContact CB-CB 4.38Å; L363-M371 PolarHBondContact N-O 3.41Å; L363-M371 PolarHBondContact O-N 3.43Å; M371-I391 WeakPolarHBondContact CA-O 3.45Å; M371-I391 HydrophobicContact CE-CG2 4.2Å; M371-V393 HydrophobicContact CE-CG2 3.92Å; M371-V393 HydrophobicContact CG-CB 4.44Å; M371-V393 HydrophobicContact CG-CG2 3.83Å; M371-V393 HydrophobicContact SD-CG2 3.93Å; M371-F405 HydrophobicContact CB-CG 4.49Å; M371-F405 HydrophobicContact CG-CD1 3.5Å; M371-F405 HydrophobicContact CG-CD2 4.49Å; M371-F405 HydrophobicContact CG-CE1 3.74Å; M371-F405 HydrophobicContact CG-CG 3.9Å; M371-F405 HydrophobicContact CG-CZ 4.33Å; M371-F405 HydrophobicContact SD-CD1 3.52Å; M371-F405 VanDerWaalsContact SD-CD1 3.52Å; M371-F405 HydrophobicContact SD-CE1 3.95Å; M371-F405 HydrophobicContact SD-CG 4.31Å
372	V	98.9	Very high	98.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.8	-169.3	65.8	0	0	0	0	111.5	V362 A374 I379 F383 T390 I391 K392 V393	V362-V372 HydrophobicContact CG1-CB 4.25Å; V362-V372 HydrophobicContact CG1-CG2 4Å; V372-A374 PolarHBondContact O-N 3.31Å; V372-I379 HydrophobicContact CG2-CG2 3.56Å; V372-F383 HydrophobicContact CG2-CD2 4.42Å; V372-F383 HydrophobicContact CG2-CE2 4.03Å; V372-T390 HydrophobicContact CG1-CG2 3.97Å; V372-I391 PolarHBondContact N-O 3.4Å; V372-K392 HydrophobicContact CG1-CG 4.47Å; V372-K392 WeakPolarHBondContact O-CA 3.48Å; V372-V393 PolarHBondContact O-N 3.02Å
373	D	98.8	Very high	98.7	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.9	-173.5	-173.1	-63.4	0	0	0	109.9	N375 E376 H380 V393 N399 F405	D373-N375 PolarHBondContact O-N 2.78Å; D373-N375 WeakPolarHBondContact OD1-CA 3.35Å; D373-N375 WeakPolarHBondContact OD1-CB 3.31Å; D373-N375 PolarHBondContact OD1-N 3.06Å; D373-N375 PolarHBondContact OD1-ND2 2.78Å; D373-E376 HydrophobicContact CB-CB 4.39Å; D373-E376 HydrophobicContact CB-CG 3.9Å; D373-E376 PolarHBondContact O-N 3.31Å; D373-E376 VanDerWaalsContact O-N 3.08Å; D373-H380 PolarHBondContact O-CE1 3.22Å; D373-H380 PolarHBondContact O-NE2 3.48Å; D373-V393 CarbonylContact C-O 3.57Å; D373-V393 VanDerWaalsContact CA-O 3.27Å; D373-V393 WeakPolarHBondContact CA-O 3.1Å; D373-N399 PolarHBondContact OD2-ND2 2.8Å; D373-F405 HydrophobicContact CB-CE2 4.07Å; D373-F405 HydrophobicContact CB-CZ 4.34Å
374	A	98.8	Very high	98.7	Very high	45 Å²	45	35.8 Å²	35.8	37%	0.372	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.4	-175.4	0	0	0	0	0	114.6	V372 H380 K392 V393 N394	V372-A374 PolarHBondContact O-N 3.31Å; A374-H380 PolarHBondContact O-CE1 2.86Å; A374-K392 HydrophobicContact CB-CB 4.08Å; A374-V393 PolarHBondContact N-O 2.94Å; A374-N394 HydrophobicContact CB-CB 4.24Å
375	N	98.5	Very high	98.6	Very high	61 Å²	61	42.5 Å²	42.5	33%	0.326	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-14.8	-175.3	-55	-124.5	0	0	0	111.7	D373 G377 N394 R396	D373-N375 PolarHBondContact O-N 2.78Å; D373-N375 WeakPolarHBondContact OD1-CA 3.35Å; D373-N375 WeakPolarHBondContact OD1-CB 3.31Å; D373-N375 PolarHBondContact OD1-N 3.06Å; D373-N375 PolarHBondContact OD1-ND2 2.78Å; N375-G377 VanDerWaalsContact C-N 3.32Å; N375-G377 PolarHBondContact O-N 3.27Å; N375-G377 VanDerWaalsContact O-N 3.11Å; N375-N394 PolarHBondContact ND2-OD1 3.48Å; N375-R396 PolarHBondContact OD1-NH2 3.12Å
376	E	98.2	Very high	98.6	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.028	24%	0.235	C	C	.	.			trans	-89.5	60.6	-173.7	-67	-67	166.8	0	0	111.6	P343 L344 I345 D373 T378 I379 H380	P343-E376 WeakPolarHBondContact CA-OE2 3.48Å; L344-E376 WeakPolarHBondContact CB-OE2 3.38Å; L344-E376 PolarHBondContact N-OE1 3.22Å; L344-E376 PolarHBondContact N-OE2 3.43Å; I345-E376 PolarHBondContact N-OE1 3.36Å; D373-E376 HydrophobicContact CB-CB 4.39Å; D373-E376 HydrophobicContact CB-CG 3.9Å; D373-E376 PolarHBondContact O-N 3.31Å; D373-E376 VanDerWaalsContact O-N 3.08Å; E376-T378 PolarHBondContact O-N 3.48Å; E376-I379 HydrophobicContact CB-CG2 3.72Å; E376-I379 WeakPolarHBondContact O-CG2 3.46Å; E376-I379 PolarHBondContact O-N 3.38Å; E376-I379 VanDerWaalsContact O-N 3.12Å; E376-H380 PolarHBondContact O-CD2 3.25Å; E376-H380 PolarHBondContact O-N 3.46Å; E376-H380 PolarHBondContact O-NE2 3.41Å
377	G	97.9	Very high	98.6	Very high	30 Å²	30	46.5 Å²	46.5	31%	0.309	25%	0.252	S	S	.	.	H	α-helix	trans	-58.5	-24.6	-172	0	0	0	0	0	115.6	N375	N375-G377 VanDerWaalsContact C-N 3.32Å; N375-G377 PolarHBondContact O-N 3.27Å; N375-G377 VanDerWaalsContact O-N 3.11Å
378	T	98.1	Very high	98.6	Very high	53 Å²	53	42.8 Å²	42.8	33%	0.325	24%	0.235	S	C	.	.	H	α-helix	trans	-72.3	-42.5	176.5	46.4	0	0	0	0	112.1	L344 E376 H380 K381 M382	L344-T378 HydrophobicContact CD1-CG2 4.18Å; L344-T378 HydrophobicContact CD2-CG2 4.18Å; L344-T378 HydrophobicContact CG-CG2 4.47Å; E376-T378 PolarHBondContact O-N 3.48Å; T378-H380 VanDerWaalsContact C-N 3.28Å; T378-H380 PolarHBondContact O-N 3.27Å; T378-K381 PolarHBondContact O-N 3.49Å; T378-M382 PolarHBondContact O-N 2.81Å
379	I	98.5	Very high	98.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-71.5	-26.2	177.7	-155.2	172.7	0	0	0	111.3	P340 P341 S359 M360 V372 E376 K381 M382 F383	P340-I379 HydrophobicContact CB-CD1 3.87Å; P340-I379 HydrophobicContact CB-CG1 4.36Å; P341-I379 HydrophobicContact CG-CB 4.02Å; P341-I379 HydrophobicContact CG-CG1 4.35Å; S359-I379 WeakPolarHBondContact O-CD1 3.11Å; M360-I379 HydrophobicContact CB-CD1 4.16Å; V372-I379 HydrophobicContact CG2-CG2 3.56Å; E376-I379 HydrophobicContact CB-CG2 3.72Å; E376-I379 WeakPolarHBondContact O-CG2 3.46Å; E376-I379 PolarHBondContact O-N 3.38Å; E376-I379 VanDerWaalsContact O-N 3.12Å; I379-K381 PolarHBondContact O-N 3.47Å; I379-M382 HydrophobicContact CD1-CE 4.11Å; I379-M382 HydrophobicContact CG1-CE 3.56Å; I379-M382 HydrophobicContact CG1-SD 4.23Å; I379-M382 WeakPolarHBondContact O-CB 3.34Å; I379-M382 PolarHBondContact O-N 2.98Å; I379-F383 HydrophobicContact CD1-CE2 3.97Å; I379-F383 HydrophobicContact CD1-CZ 4.4Å; I379-F383 HydrophobicContact CG1-CD2 4.17Å; I379-F383 HydrophobicContact CG1-CE2 3.73Å; I379-F383 HydrophobicContact CG1-CZ 4.45Å; I379-F383 HydrophobicContact CG2-CE2 4.36Å; I379-F383 WeakPolarHBondContact O-CD2 3.42Å; I379-F383 PolarHBondContact O-N 3.42Å; I379-F383 VanDerWaalsContact O-N 3.09Å
380	H	98.8	Very high	98.6	Very high	9 Å²	9	41.4 Å²	41.4	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-48.6	172.4	-58.9	171.1	0	0	0	111.5	D373 A374 E376 T378 M382 F383 E384 T390 K392	D373-H380 PolarHBondContact O-CE1 3.22Å; D373-H380 PolarHBondContact O-NE2 3.48Å; A374-H380 PolarHBondContact O-CE1 2.86Å; E376-H380 PolarHBondContact O-CD2 3.25Å; E376-H380 PolarHBondContact O-N 3.46Å; E376-H380 PolarHBondContact O-NE2 3.41Å; T378-H380 VanDerWaalsContact C-N 3.28Å; T378-H380 PolarHBondContact O-N 3.27Å; H380-M382 PolarHBondContact O-N 3.22Å; H380-F383 PolarHBondContact O-N 2.91Å; H380-F383 VanDerWaalsContact O-N 3.13Å; H380-E384 VanDerWaalsContact O-CG 3.31Å; H380-E384 WeakPolarHBondContact O-CG 3.34Å; H380-E384 PolarHBondContact O-N 2.83Å; H380-T390 HydrophobicContact CB-CG2 4.27Å; H380-K392 WeakPolarHBondContact ND1-CE 3.24Å
381	K	98.6	Very high	98.6	Very high	136 Å²	136	42 Å²	42	59%	0.591	24%	0.236	S	C	*	.	H	α-helix	trans	-60.3	-36	177.8	-67	179.3	-179.7	-178.3	0	112.1	T378 I379 N385	T378-K381 PolarHBondContact O-N 3.49Å; I379-K381 PolarHBondContact O-N 3.47Å; K381-N385 WeakPolarHBondContact O-CB 3.34Å; K381-N385 PolarHBondContact O-N 3.3Å; K381-N385 PolarHBondContact O-ND2 2.83Å
382	M	98.8	Very high	98.6	Very high	24 Å²	24	46.8 Å²	46.8	12%	0.118	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-49.2	174.6	-179.3	-160.5	76.1	0	0	111	L317 V338 P340 T378 I379 H380 N385 L386	L317-M382 HydrophobicContact CD1-CE 4.34Å; L317-M382 HydrophobicContact CD2-CE 3.66Å; L317-M382 HydrophobicContact CD2-SD 4.31Å; V338-M382 HydrophobicContact CG1-CG 4.11Å; V338-M382 HydrophobicContact CG1-SD 3.59Å; V338-M382 VanDerWaalsContact CG1-SD 3.59Å; P340-M382 HydrophobicContact CB-SD 4.07Å; T378-M382 PolarHBondContact O-N 2.81Å; I379-M382 HydrophobicContact CD1-CE 4.11Å; I379-M382 HydrophobicContact CG1-CE 3.56Å; I379-M382 HydrophobicContact CG1-SD 4.23Å; I379-M382 WeakPolarHBondContact O-CB 3.34Å; I379-M382 PolarHBondContact O-N 2.98Å; H380-M382 PolarHBondContact O-N 3.22Å; M382-N385 PolarHBondContact O-N 3.49Å; M382-L386 HydrophobicContact CG-CD1 4.36Å; M382-L386 WeakPolarHBondContact O-CG 3.25Å; M382-L386 PolarHBondContact O-N 3.17Å; M382-L386 VanDerWaalsContact O-N 3.12Å
383	F	98.8	Very high	98.6	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-42.3	177.4	-72.2	-61.9	0	0	0	112.6	I311 L317 V362 V370 V372 I379 H380 N385 L386 G387 I388 T390	I311-F383 HydrophobicContact CD1-CE1 3.98Å; L317-F383 HydrophobicContact CD1-CE1 4.19Å; L317-F383 HydrophobicContact CD1-CZ 3.84Å; V362-F383 HydrophobicContact CB-CZ 4.43Å; V362-F383 HydrophobicContact CG1-CE2 3.99Å; V362-F383 HydrophobicContact CG1-CZ 3.91Å; V362-F383 HydrophobicContact CG2-CZ 3.97Å; V370-F383 HydrophobicContact CB-CE1 4.49Å; V370-F383 HydrophobicContact CG1-CB 4.13Å; V370-F383 HydrophobicContact CG1-CD1 3.89Å; V370-F383 HydrophobicContact CG1-CD2 3.85Å; V370-F383 HydrophobicContact CG1-CE1 4.21Å; V370-F383 HydrophobicContact CG1-CE2 4.17Å; V370-F383 HydrophobicContact CG1-CG 3.7Å; V370-F383 HydrophobicContact CG1-CZ 4.35Å; V370-F383 HydrophobicContact CG2-CE1 4.13Å; V370-F383 HydrophobicContact CG2-CE2 4.24Å; V370-F383 HydrophobicContact CG2-CZ 3.93Å; V372-F383 HydrophobicContact CG2-CD2 4.42Å; V372-F383 HydrophobicContact CG2-CE2 4.03Å; I379-F383 HydrophobicContact CD1-CE2 3.97Å; I379-F383 HydrophobicContact CD1-CZ 4.4Å; I379-F383 HydrophobicContact CG1-CD2 4.17Å; I379-F383 HydrophobicContact CG1-CE2 3.73Å; I379-F383 HydrophobicContact CG1-CZ 4.45Å; I379-F383 HydrophobicContact CG2-CE2 4.36Å; I379-F383 WeakPolarHBondContact O-CD2 3.42Å; I379-F383 PolarHBondContact O-N 3.42Å; I379-F383 VanDerWaalsContact O-N 3.09Å; H380-F383 PolarHBondContact O-N 2.91Å; H380-F383 VanDerWaalsContact O-N 3.13Å; F383-N385 VanDerWaalsContact C-N 3.3Å; F383-N385 PolarHBondContact O-N 3.28Å; F383-L386 CarbonylContact O-C 3.57Å; F383-L386 WeakPolarHBondContact O-CA 3.38Å; F383-L386 WeakPolarHBondContact O-CB 3.46Å; F383-L386 PolarHBondContact O-N 3.29Å; F383-G387 PolarHBondContact O-N 3.16Å; F383-I388 CarbonylContact C-O 3.45Å; F383-I388 HydrophobicContact CB-CB 4.2Å; F383-I388 HydrophobicContact CD1-CB 4.31Å; F383-I388 HydrophobicContact CD1-CD1 4.1Å; F383-I388 HydrophobicContact CD1-CG2 4.26Å; F383-I388 PolarHBondContact O-N 3.38Å; F383-T390 HydrophobicContact CB-CG2 3.72Å; F383-T390 HydrophobicContact CD2-CG2 4.28Å; F383-T390 HydrophobicContact CG-CG2 4.39Å
384	E	98.4	Very high	98.6	Very high	95 Å²	95	50.1 Å²	50.1	44%	0.444	27%	0.274	S	S	.	.	H	α-helix	trans	-58	-43	175.8	-71.2	163	-171.2	0	0	111.2	H380 L386 G387 K392	H380-E384 VanDerWaalsContact O-CG 3.31Å; H380-E384 WeakPolarHBondContact O-CG 3.34Å; H380-E384 PolarHBondContact O-N 2.83Å; E384-L386 VanDerWaalsContact C-N 3.28Å; E384-L386 PolarHBondContact O-N 2.85Å; E384-G387 PolarHBondContact O-N 3.42Å; E384-K392 IonicContact OE1-NZ 2.73Å
385	N	98.3	Very high	98.6	Very high	143 Å²	143	48 Å²	48	77%	0.765	26%	0.257	S	S	*	.	H	α-helix	trans	-66.9	-26.3	175.3	-70.5	-18.3	0	0	0	113.6	K381 M382 F383	K381-N385 WeakPolarHBondContact O-CB 3.34Å; K381-N385 PolarHBondContact O-N 3.3Å; K381-N385 PolarHBondContact O-ND2 2.83Å; M382-N385 PolarHBondContact O-N 3.49Å; F383-N385 VanDerWaalsContact C-N 3.3Å; F383-N385 PolarHBondContact O-N 3.28Å
386	L	98.4	Very high	98.6	Very high	61 Å²	61	46.6 Å²	46.6	32%	0.319	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.9	172.3	-67.4	170.1	0	0	0	112.5	V338 M382 F383 E384 I388	V338-L386 HydrophobicContact CG1-CD1 4.42Å; V338-L386 HydrophobicContact CG2-CD1 4.26Å; V338-L386 HydrophobicContact CG2-CD2 4.28Å; M382-L386 HydrophobicContact CG-CD1 4.36Å; M382-L386 WeakPolarHBondContact O-CG 3.25Å; M382-L386 PolarHBondContact O-N 3.17Å; M382-L386 VanDerWaalsContact O-N 3.12Å; F383-L386 CarbonylContact O-C 3.57Å; F383-L386 WeakPolarHBondContact O-CA 3.38Å; F383-L386 WeakPolarHBondContact O-CB 3.46Å; F383-L386 PolarHBondContact O-N 3.29Å; E384-L386 VanDerWaalsContact C-N 3.28Å; E384-L386 PolarHBondContact O-N 2.85Å; L386-I388 VanDerWaalsContact C-N 3.33Å; L386-I388 HydrophobicContact CB-CD1 3.99Å; L386-I388 HydrophobicContact CB-CG1 4.13Å; L386-I388 HydrophobicContact CD1-CD1 4.4Å
387	G	98.5	Very high	98.6	Very high	50 Å²	50	48.3 Å²	48.3	52%	0.515	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	28.1	-175.3	0	0	0	0	0	113.3	F383 E384	F383-G387 PolarHBondContact O-N 3.16Å; E384-G387 PolarHBondContact O-N 3.42Å
388	I	98.9	Very high	98.7	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	24%	0.24	C	C	.	.			trans	-107.5	121.7	178.8	-58.4	171.9	0	0	0	108.4	I311 L315 M364 V370 F383 L386	I311-I388 HydrophobicContact CD1-CD1 4.32Å; L315-I388 HydrophobicContact CD2-CD1 4.15Å; M364-I388 HydrophobicContact CE-CD1 4.5Å; M364-I388 HydrophobicContact CE-CG2 4.08Å; V370-I388 HydrophobicContact CB-CG2 3.84Å; V370-I388 HydrophobicContact CG1-CG2 3.61Å; F383-I388 CarbonylContact C-O 3.45Å; F383-I388 HydrophobicContact CB-CB 4.2Å; F383-I388 HydrophobicContact CD1-CB 4.31Å; F383-I388 HydrophobicContact CD1-CD1 4.1Å; F383-I388 HydrophobicContact CD1-CG2 4.26Å; F383-I388 PolarHBondContact O-N 3.38Å; L386-I388 VanDerWaalsContact C-N 3.33Å; L386-I388 HydrophobicContact CB-CD1 3.99Å; L386-I388 HydrophobicContact CB-CG1 4.13Å; L386-I388 HydrophobicContact CD1-CD1 4.4Å
389	K	98.8	Very high	98.7	Very high	126 Å²	126	44.7 Å²	44.7	55%	0.548	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.4	177.7	-178.7	-173.3	175.2	-165.1	0	110.2	K368 R369 V370	K368-K389 WeakPolarHBondContact O-CB 3.41Å; K368-K389 PolarHBondContact O-N 3.38Å; R369-K389 WeakPolarHBondContact CA-O 3.01Å; R369-K389 HydrophobicContact CG-CB 4.34Å; R369-K389 HydrophobicContact CG-CD 4.35Å; V370-K389 PolarHBondContact N-O 3.49Å
390	T	98.9	Very high	98.7	Very high	21 Å²	21	44.6 Å²	44.6	13%	0.129	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.1	177.6	54.2	0	0	0	0	111.6	V370 V372 H380 F383 K392	V370-T390 HydrophobicContact CG1-CG2 4.11Å; V372-T390 HydrophobicContact CG1-CG2 3.97Å; H380-T390 HydrophobicContact CB-CG2 4.27Å; F383-T390 HydrophobicContact CB-CG2 3.72Å; F383-T390 HydrophobicContact CD2-CG2 4.28Å; F383-T390 HydrophobicContact CG-CG2 4.39Å; T390-K392 WeakPolarHBondContact OG1-CE 3.16Å
391	I	98.9	Very high	98.7	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.062	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	101.7	169.8	-61.8	164	0	0	0	106.2	I133 E137 L365 R369 V370 M371 V372 V393	I133-I391 HydrophobicContact CG2-CG2 3.61Å; E137-I391 HydrophobicContact CG-CD1 3.97Å; L365-I391 HydrophobicContact CD1-CD1 3.31Å; L365-I391 HydrophobicContact CG-CD1 4.08Å; R369-I391 HydrophobicContact CB-CD1 4.08Å; V370-I391 PolarHBondContact O-N 3.46Å; M371-I391 WeakPolarHBondContact CA-O 3.45Å; M371-I391 HydrophobicContact CE-CG2 4.2Å; V372-I391 PolarHBondContact N-O 3.4Å; I391-V393 HydrophobicContact CG2-CG2 4.33Å
392	K	98.8	Very high	98.6	Very high	101 Å²	101	38.2 Å²	38.2	44%	0.439	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118.8	-167.8	-61.3	176	-170.8	-173.2	0	109.3	V372 A374 H380 E384 T390	V372-K392 HydrophobicContact CG1-CG 4.47Å; V372-K392 WeakPolarHBondContact O-CA 3.48Å; A374-K392 HydrophobicContact CB-CB 4.08Å; H380-K392 WeakPolarHBondContact ND1-CE 3.24Å; E384-K392 IonicContact OE1-NZ 2.73Å; T390-K392 WeakPolarHBondContact OG1-CE 3.16Å
393	V	98.8	Very high	98.6	Very high	4 Å²	4	37 Å²	37	2%	0.024	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.9	179.7	-174	0	0	0	0	108.8	M130 I133 M371 V372 D373 A374 I391 I395 F405	M130-V393 HydrophobicContact CB-CG1 3.98Å; M130-V393 HydrophobicContact CG-CG1 4.45Å; I133-V393 HydrophobicContact CD1-CB 4.38Å; I133-V393 HydrophobicContact CD1-CG1 4.12Å; I133-V393 HydrophobicContact CD1-CG2 3.65Å; I133-V393 HydrophobicContact CG2-CG2 4.17Å; M371-V393 HydrophobicContact CE-CG2 3.92Å; M371-V393 HydrophobicContact CG-CB 4.44Å; M371-V393 HydrophobicContact CG-CG2 3.83Å; M371-V393 HydrophobicContact SD-CG2 3.93Å; V372-V393 PolarHBondContact O-N 3.02Å; D373-V393 CarbonylContact C-O 3.57Å; D373-V393 VanDerWaalsContact CA-O 3.27Å; D373-V393 WeakPolarHBondContact CA-O 3.1Å; A374-V393 PolarHBondContact N-O 2.94Å; I391-V393 HydrophobicContact CG2-CG2 4.33Å; V393-I395 HydrophobicContact CG1-CG2 4.16Å; V393-F405 HydrophobicContact CB-CE1 3.74Å; V393-F405 HydrophobicContact CB-CZ 4.08Å; V393-F405 HydrophobicContact CG1-CE1 4.15Å; V393-F405 HydrophobicContact CG2-CE1 4.49Å
394	N	98.8	Very high	98.6	Very high	70 Å²	70	37 Å²	37	37%	0.374	20%	0.195	S	C	.	.			trans	-93.2	116.8	176.8	-174.5	11.8	0	0	0	110.1	E126 A374 N375 R396	E126-N394 WeakPolarHBondContact CB-O 3.43Å; E126-N394 WeakPolarHBondContact CG-O 3.44Å; A374-N394 HydrophobicContact CB-CB 4.24Å; N375-N394 PolarHBondContact ND2-OD1 3.48Å; N394-R396 VanDerWaalsContact OD1-CB 3.31Å; N394-R396 WeakPolarHBondContact OD1-CB 3.38Å; N394-R396 PolarHBondContact OD1-N 3.22Å
395	I	98.8	Very high	98.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.			trans	-126.5	31	175.8	59.6	164.4	0	0	0	111.4	E126 I127 M130 V393 H397 A398 N399 F405	E126-I395 HydrophobicContact CB-CG2 4.47Å; E126-I395 WeakPolarHBondContact OE2-CA 3.34Å; I127-I395 HydrophobicContact CD1-CG2 4.13Å; M130-I395 HydrophobicContact SD-CG2 4.43Å; V393-I395 HydrophobicContact CG1-CG2 4.16Å; I395-H397 VanDerWaalsContact C-N 3.33Å; I395-H397 PolarHBondContact O-N 3.3Å; I395-A398 HydrophobicContact CB-CB 4.04Å; I395-A398 CarbonylContact O-C 3.56Å; I395-A398 WeakPolarHBondContact O-CB 3.42Å; I395-A398 PolarHBondContact O-N 3.18Å; I395-A398 VanDerWaalsContact O-N 3.15Å; I395-N399 WeakPolarHBondContact CD1-OD1 3.35Å; I395-N399 VanDerWaalsContact O-CG 3.28Å; I395-N399 PolarHBondContact O-N 3.46Å; I395-F405 HydrophobicContact CB-CE1 4.46Å; I395-F405 HydrophobicContact CD1-CD1 3.8Å; I395-F405 HydrophobicContact CD1-CD2 4.16Å; I395-F405 HydrophobicContact CD1-CE1 3.55Å; I395-F405 HydrophobicContact CD1-CE2 3.88Å; I395-F405 HydrophobicContact CD1-CG 4.11Å; I395-F405 HydrophobicContact CD1-CZ 3.61Å; I395-F405 HydrophobicContact CG1-CE1 3.79Å; I395-F405 HydrophobicContact CG1-CE2 4.18Å; I395-F405 HydrophobicContact CG1-CZ 3.6Å; I395-F405 HydrophobicContact CG2-CE1 3.85Å; I395-F405 HydrophobicContact CG2-CZ 4.38Å
396	R	98.5	Very high	98.7	Very high	31 Å²	31	26.1 Å²	26.1	12%	0.117	14%	0.139	C	C	.	.	H	α-helix	trans	-55.8	-42.5	-171.8	177.5	58	62.7	77.1	-2.4	113.4	E126 H349 N375 N394 N399	E126-R396 PolarHBondContact OE1-N 2.94Å; E126-R396 PolarHBondContact OE2-N 3.38Å; H349-R396 VanDerWaalsContact CE1-CG 3.48Å; H349-R396 WeakPolarHBondContact CE1-CG 3.31Å; H349-R396 PolarHBondContact CE1-O 3.15Å; H349-R396 VanDerWaalsContact CE1-O 3.27Å; H349-R396 PolarHBondContact NE2-O 2.64Å; N375-R396 PolarHBondContact OD1-NH2 3.12Å; N394-R396 VanDerWaalsContact OD1-CB 3.31Å; N394-R396 WeakPolarHBondContact OD1-CB 3.38Å; N394-R396 PolarHBondContact OD1-N 3.22Å; R396-N399 WeakPolarHBondContact O-CB 3.16Å
397	H	98.8	Very high	98.7	Very high	42 Å²	42	23.3 Å²	23.3	19%	0.194	13%	0.125	C	C	.	.	H	α-helix	trans	-78.1	-35.4	179	-61.4	81	0	0	0	111.5	H119 K122 A123 E126 I395 N399 S400	H119-H397 PolarHBondContact CD2-O 2.9Å; H119-H397 AromaticContact CE1-CD2 3.69Å; H119-H397 AromaticContact ND1-CD2 3.92Å; H119-H397 PolarHBondContact NE2-O 3.19Å; K122-H397 HydrophobicContact CB-CB 3.86Å; K122-H397 WeakPolarHBondContact CD-CD2 3.26Å; K122-H397 WeakPolarHBondContact CD-NE2 3.44Å; K122-H397 PolarHBondContact NZ-NE2 3.41Å; A123-H397 HydrophobicContact CB-CB 4.42Å; E126-H397 IonicContact OE1-CE1 3.78Å; E126-H397 IonicContact OE1-CG 2.58Å; E126-H397 PolarHBondContact OE1-N 3.21Å; E126-H397 VanDerWaalsContact OE1-N 3.11Å; E126-H397 IonicContact OE1-ND1 2.75Å; E126-H397 PolarHBondContact OE1-ND1 3.24Å; E126-H397 WeakPolarHBondContact OE2-CA 3.44Å; E126-H397 WeakPolarHBondContact OE2-CB 3.44Å; E126-H397 PolarHBondContact OE2-N 3.16Å; I395-H397 VanDerWaalsContact C-N 3.33Å; I395-H397 PolarHBondContact O-N 3.3Å; H397-N399 VanDerWaalsContact C-N 3.3Å; H397-N399 PolarHBondContact O-N 2.6Å; H397-S400 VanDerWaalsContact O-CB 3.24Å; H397-S400 WeakPolarHBondContact O-CB 3.18Å; H397-S400 PolarHBondContact O-N 3.15Å; H397-S400 PolarHBondContact O-OG 3.46Å
398	A	98.8	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.2	-35.2	171.1	0	0	0	0	0	112.9	A123 E126 I127 I395 S400 L401 W408	A123-A398 HydrophobicContact CB-CB 4.11Å; E126-A398 PolarHBondContact OE2-N 3.02Å; I127-A398 HydrophobicContact CD1-CB 3.79Å; I127-A398 HydrophobicContact CG1-CB 3.86Å; I395-A398 HydrophobicContact CB-CB 4.04Å; I395-A398 CarbonylContact O-C 3.56Å; I395-A398 WeakPolarHBondContact O-CB 3.42Å; I395-A398 PolarHBondContact O-N 3.18Å; I395-A398 VanDerWaalsContact O-N 3.15Å; A398-S400 PolarHBondContact O-N 2.92Å; A398-S400 VanDerWaalsContact O-N 3.14Å; A398-L401 WeakPolarHBondContact O-CB 3.5Å; A398-L401 PolarHBondContact O-N 3.48Å; A398-W408 HydrophobicContact CB-CH2 4.21Å; A398-W408 HydrophobicContact CB-CZ2 3.47Å; A398-W408 VanDerWaalsContact CB-CZ2 3.47Å; A398-W408 WeakPolarHBondContact O-CZ2 3.48Å
399	N	98.8	Very high	98.7	Very high	7 Å²	7	20.7 Å²	20.7	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-55.4	-32	173.6	-74	-23.6	0	0	0	112.5	L351 L358 D373 I395 R396 H397 L401 G402 G403	L351-N399 HydrophobicContact CD2-CB 4.08Å; L358-N399 HydrophobicContact CD1-CB 3.78Å; L358-N399 WeakPolarHBondContact CD1-O 3.38Å; D373-N399 PolarHBondContact OD2-ND2 2.8Å; I395-N399 WeakPolarHBondContact CD1-OD1 3.35Å; I395-N399 VanDerWaalsContact O-CG 3.28Å; I395-N399 PolarHBondContact O-N 3.46Å; R396-N399 WeakPolarHBondContact O-CB 3.16Å; H397-N399 VanDerWaalsContact C-N 3.3Å; H397-N399 PolarHBondContact O-N 2.6Å; N399-L401 PolarHBondContact O-N 3.17Å; N399-L401 VanDerWaalsContact O-N 3.16Å; N399-G402 PolarHBondContact O-N 2.74Å; N399-G403 WeakPolarHBondContact CA-O 3.36Å; N399-G403 PolarHBondContact OD1-O 3.21Å; N399-G403 VanDerWaalsContact OD1-O 3.13Å
400	S	98.8	Very high	98.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.2	178.9	-54.8	0	0	0	0	113.5	H119 H349 P350 W352 H397 A398 G402	H119-S400 PolarHBondContact CE1-OG 3.27Å; H119-S400 WeakPolarHBondContact NE2-CB 3.49Å; H119-S400 PolarHBondContact NE2-OG 2.8Å; H349-S400 PolarHBondContact NE2-OG 3.11Å; P350-S400 WeakPolarHBondContact O-CA 2.93Å; P350-S400 WeakPolarHBondContact O-CB 3.31Å; P350-S400 PolarHBondContact O-OG 3.34Å; W352-S400 VanDerWaalsContact CE3-O 3.25Å; W352-S400 PolarHBondContact N-O 2.88Å; H397-S400 VanDerWaalsContact O-CB 3.24Å; H397-S400 WeakPolarHBondContact O-CB 3.18Å; H397-S400 PolarHBondContact O-N 3.15Å; H397-S400 PolarHBondContact O-OG 3.46Å; A398-S400 PolarHBondContact O-N 2.92Å; A398-S400 VanDerWaalsContact O-N 3.14Å; S400-G402 PolarHBondContact O-N 3.21Å
401	L	98.6	Very high	98.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	2.9	176.2	-61.2	179.5	0	0	0	113.3	A83 F115 L120 Y164 M167 W352 M353 A398 N399 W408	A83-L401 HydrophobicContact CB-CD1 3.96Å; F115-L401 HydrophobicContact CD1-CD2 4.21Å; F115-L401 HydrophobicContact CD2-CD2 4.06Å; F115-L401 HydrophobicContact CE1-CD2 4.39Å; F115-L401 HydrophobicContact CE2-CD2 4.23Å; F115-L401 HydrophobicContact CG-CD2 4.05Å; F115-L401 HydrophobicContact CZ-CD2 4.4Å; L120-L401 HydrophobicContact CD2-CD1 4.04Å; L120-L401 HydrophobicContact CD2-CD2 4.01Å; Y164-L401 HydrophobicContact CE1-CB 4.04Å; Y164-L401 WeakPolarHBondContact CE1-O 3.23Å; Y164-L401 PolarHBondContact OH-O 2.8Å; M167-L401 HydrophobicContact CE-CB 4.07Å; M167-L401 WeakPolarHBondContact CE-O 3.2Å; W352-L401 HydrophobicContact CE3-CD2 4.11Å; W352-L401 HydrophobicContact CZ3-CD2 3.92Å; M353-L401 WeakPolarHBondContact CE-O 3.19Å; A398-L401 WeakPolarHBondContact O-CB 3.5Å; A398-L401 PolarHBondContact O-N 3.48Å; N399-L401 PolarHBondContact O-N 3.17Å; N399-L401 VanDerWaalsContact O-N 3.16Å; L401-W408 HydrophobicContact CB-CZ2 4.26Å; L401-W408 HydrophobicContact CD1-CH2 3.96Å; L401-W408 HydrophobicContact CD1-CZ2 3.99Å
402	G	97.7	Very high	98.7	Very high	10 Å²	10	13.1 Å²	13.1	10%	0.103	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.1	10.2	165.4	0	0	0	0	0	116.6	S354 N399 S400	S354-G402 VanDerWaalsContact CB-O 3.22Å; S354-G402 WeakPolarHBondContact CB-O 3.46Å; N399-G402 PolarHBondContact O-N 2.74Å; S400-G402 PolarHBondContact O-N 3.21Å
403	G	98.4	Very high	98.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.			trans	-151	149.6	-172	0	0	0	0	0	113.6	M167 N399 W408	M167-G403 VanDerWaalsContact CE-N 3.27Å; N399-G403 WeakPolarHBondContact CA-O 3.36Å; N399-G403 PolarHBondContact OD1-O 3.21Å; N399-G403 VanDerWaalsContact OD1-O 3.13Å; G403-W408 PolarHBondContact O-NE1 3.11Å
404	G	98.6	Very high	98.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.051	C	C	.	.			trans	-100	-161.8	168.1	0	0	0	0	0	110.3	N361 H406 C407 W408	N361-G404 CarbonylContact O-C 3.55Å; N361-G404 WeakPolarHBondContact OD1-CA 3.37Å; N361-G404 PolarHBondContact OD1-N 3.14Å; N361-G404 PolarHBondContact OD1-O 3.33Å; G404-H406 VanDerWaalsContact C-N 3.27Å; G404-H406 PolarHBondContact O-N 3.05Å; G404-C407 PolarHBondContact O-N 2.98Å; G404-C407 VanDerWaalsContact O-N 3.16Å; G404-W408 WeakPolarHBondContact O-CB 3.46Å; G404-W408 PolarHBondContact O-N 3.22Å
405	F	98.9	Very high	98.7	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.018	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-37.5	-172.3	-55	-77.7	0	0	0	113.7	M130 N361 L363 M371 D373 V393 I395 T409	M130-F405 HydrophobicContact CE-CB 4.37Å; M130-F405 HydrophobicContact CE-CD1 3.89Å; M130-F405 HydrophobicContact SD-CD1 3.91Å; M130-F405 HydrophobicContact SD-CE1 4.38Å; N361-F405 PolarHBondContact O-N 3.32Å; L363-F405 HydrophobicContact CB-CB 3.68Å; M371-F405 HydrophobicContact CB-CG 4.49Å; M371-F405 HydrophobicContact CG-CD1 3.5Å; M371-F405 HydrophobicContact CG-CD2 4.49Å; M371-F405 HydrophobicContact CG-CE1 3.74Å; M371-F405 HydrophobicContact CG-CG 3.9Å; M371-F405 HydrophobicContact CG-CZ 4.33Å; M371-F405 HydrophobicContact SD-CD1 3.52Å; M371-F405 VanDerWaalsContact SD-CD1 3.52Å; M371-F405 HydrophobicContact SD-CE1 3.95Å; M371-F405 HydrophobicContact SD-CG 4.31Å; D373-F405 HydrophobicContact CB-CE2 4.07Å; D373-F405 HydrophobicContact CB-CZ 4.34Å; V393-F405 HydrophobicContact CB-CE1 3.74Å; V393-F405 HydrophobicContact CB-CZ 4.08Å; V393-F405 HydrophobicContact CG1-CE1 4.15Å; V393-F405 HydrophobicContact CG2-CE1 4.49Å; I395-F405 HydrophobicContact CB-CE1 4.46Å; I395-F405 HydrophobicContact CD1-CD1 3.8Å; I395-F405 HydrophobicContact CD1-CD2 4.16Å; I395-F405 HydrophobicContact CD1-CE1 3.55Å; I395-F405 HydrophobicContact CD1-CE2 3.88Å; I395-F405 HydrophobicContact CD1-CG 4.11Å; I395-F405 HydrophobicContact CD1-CZ 3.61Å; I395-F405 HydrophobicContact CG1-CE1 3.79Å; I395-F405 HydrophobicContact CG1-CE2 4.18Å; I395-F405 HydrophobicContact CG1-CZ 3.6Å; I395-F405 HydrophobicContact CG2-CE1 3.85Å; I395-F405 HydrophobicContact CG2-CZ 4.38Å; F405-T409 WeakPolarHBondContact O-CG2 3.23Å; F405-T409 PolarHBondContact O-N 3.37Å; F405-T409 PolarHBondContact O-OG1 3.04Å
406	H	98.9	Very high	98.7	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.019	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-44.4	179	-170.1	-97.9	0	0	0	111.7	E71 R169 D305 N361 V362 G404 T409	E71-H406 IonicContact OE2-NE2 2.7Å; R169-H406 WeakPolarHBondContact CB-O 3.33Å; R169-H406 VanDerWaalsContact CD-CE1 3.41Å; R169-H406 WeakPolarHBondContact CD-CE1 3.48Å; R169-H406 PolarHBondContact NE-CE1 3.09Å; R169-H406 PolarHBondContact NE-O 2.83Å; D305-H406 WeakPolarHBondContact CB-ND1 3.45Å; D305-H406 IonicContact OD2-CE1 3.99Å; D305-H406 IonicContact OD2-CG 2.66Å; D305-H406 IonicContact OD2-ND1 3.41Å; D305-H406 PolarHBondContact OD2-ND1 3.01Å; N361-H406 PolarHBondContact O-N 2.83Å; N361-H406 VanDerWaalsContact O-N 3.16Å; N361-H406 PolarHBondContact OD1-N 3.27Å; V362-H406 WeakPolarHBondContact O-CB 3.42Å; G404-H406 VanDerWaalsContact C-N 3.27Å; G404-H406 PolarHBondContact O-N 3.05Å; H406-T409 PolarHBondContact O-N 3.49Å; H406-T409 PolarHBondContact O-OG1 3.27Å
407	C	98.8	Very high	98.6	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.02	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-42.3	176.4	-58.4	0	0	0	0	112.2	M167 P168 R169 D305 N361 G404 T409	M167-C407 CarbonylContact C-O 3.45Å; M167-C407 VanDerWaalsContact CA-O 3.25Å; M167-C407 WeakPolarHBondContact CA-O 3.12Å; M167-C407 HydrophobicContact CG-CB 4.44Å; M167-C407 HydrophobicContact SD-CB 3.67Å; P168-C407 WeakPolarHBondContact CD-O 3.47Å; R169-C407 WeakPolarHBondContact CB-O 3.24Å; R169-C407 PolarHBondContact N-O 2.82Å; D305-C407 PolarHBondContact OD2-SG 3.02Å; N361-C407 PolarHBondContact ND2-SG 3.12Å; N361-C407 PolarHBondContact OD1-N 2.82Å; N361-C407 VanDerWaalsContact OD1-N 3.11Å; N361-C407 PolarHBondContact OD1-SG 3.17Å; G404-C407 PolarHBondContact O-N 2.98Å; G404-C407 VanDerWaalsContact O-N 3.16Å; C407-T409 PolarHBondContact O-N 3.33Å; C407-T409 VanDerWaalsContact O-N 3.09Å
408	W	98.9	Very high	98.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-5.3	-179.9	-83.3	94.8	0	0	0	113.8	V80 G81 A83 I127 A166 M167 P168 A398 L401 G403 G404	V80-W408 WeakPolarHBondContact CA-O 3.41Å; G81-W408 PolarHBondContact N-O 3.08Å; A83-W408 HydrophobicContact CB-CH2 3.97Å; I127-W408 HydrophobicContact CB-CZ3 4.4Å; I127-W408 HydrophobicContact CD1-CD2 3.47Å; I127-W408 VanDerWaalsContact CD1-CD2 3.47Å; I127-W408 HydrophobicContact CD1-CE3 3.46Å; I127-W408 VanDerWaalsContact CD1-CE3 3.46Å; I127-W408 HydrophobicContact CD1-CG 3.98Å; I127-W408 HydrophobicContact CD1-CH2 4.18Å; I127-W408 HydrophobicContact CD1-CZ2 4.2Å; I127-W408 HydrophobicContact CD1-CZ3 3.83Å; I127-W408 HydrophobicContact CG1-CD2 4.17Å; I127-W408 HydrophobicContact CG1-CE3 3.75Å; I127-W408 HydrophobicContact CG1-CH2 3.81Å; I127-W408 HydrophobicContact CG1-CZ2 4.21Å; I127-W408 HydrophobicContact CG1-CZ3 3.56Å; I127-W408 HydrophobicContact CG2-CE3 4.18Å; I127-W408 HydrophobicContact CG2-CZ3 4.16Å; A166-W408 HydrophobicContact CB-CE3 4.17Å; A166-W408 HydrophobicContact CB-CH2 3.51Å; A166-W408 HydrophobicContact CB-CZ2 3.96Å; A166-W408 HydrophobicContact CB-CZ3 3.62Å; M167-W408 HydrophobicContact CE-CD2 4.36Å; M167-W408 HydrophobicContact CE-CZ2 4.01Å; M167-W408 HydrophobicContact SD-CD2 4.14Å; M167-W408 HydrophobicContact SD-CG 4.02Å; P168-W408 WeakPolarHBondContact CD-O 3.4Å; P168-W408 WeakPolarHBondContact CG-O 3.41Å; A398-W408 HydrophobicContact CB-CH2 4.21Å; A398-W408 HydrophobicContact CB-CZ2 3.47Å; A398-W408 VanDerWaalsContact CB-CZ2 3.47Å; A398-W408 WeakPolarHBondContact O-CZ2 3.48Å; L401-W408 HydrophobicContact CB-CZ2 4.26Å; L401-W408 HydrophobicContact CD1-CH2 3.96Å; L401-W408 HydrophobicContact CD1-CZ2 3.99Å; G403-W408 PolarHBondContact O-NE1 3.11Å; G404-W408 WeakPolarHBondContact O-CB 3.46Å; G404-W408 PolarHBondContact O-N 3.22Å
409	T	99	Very high	98.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150	-176.7	60.5	0	0	0	0	114.7	V78 I79 V80 M130 R169 L363 F405 H406 C407	V78-T409 HydrophobicContact CG2-CG2 3.87Å; I79-T409 CarbonylContact O-C 3.54Å; I79-T409 WeakPolarHBondContact O-CA 3.43Å; V80-T409 HydrophobicContact CG2-CG2 4.04Å; M130-T409 HydrophobicContact CE-CG2 3.42Å; M130-T409 VanDerWaalsContact CE-CG2 3.42Å; R169-T409 WeakPolarHBondContact CB-O 3.44Å; R169-T409 VanDerWaalsContact CZ-O 3.22Å; R169-T409 PolarHBondContact NE-O 3.27Å; R169-T409 PolarHBondContact NH2-O 2.79Å; L363-T409 HydrophobicContact CD2-CG2 3.95Å; F405-T409 WeakPolarHBondContact O-CG2 3.23Å; F405-T409 PolarHBondContact O-N 3.37Å; F405-T409 PolarHBondContact O-OG1 3.04Å; H406-T409 PolarHBondContact O-N 3.49Å; H406-T409 PolarHBondContact O-OG1 3.27Å; C407-T409 PolarHBondContact O-N 3.33Å; C407-T409 VanDerWaalsContact O-N 3.09Å
410	T	98.9	Very high	98.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118	159.1	-62.9	0	0	0	0	107.6	V78 I79 P168 R169 L172 V174 V412	V78-T410 WeakPolarHBondContact CA-O 3.48Å; V78-T410 WeakPolarHBondContact CG2-O 3.34Å; I79-T410 PolarHBondContact N-O 2.76Å; I79-T410 PolarHBondContact O-N 3.22Å; P168-T410 WeakPolarHBondContact CB-OG1 3.32Å; P168-T410 PolarHBondContact O-OG1 3.31Å; P168-T410 VanDerWaalsContact O-OG1 3.09Å; R169-T410 PolarHBondContact N-OG1 3.21Å; L172-T410 HydrophobicContact CB-CG2 3.97Å; L172-T410 PolarHBondContact O-OG1 3.13Å; V174-T410 HydrophobicContact CG2-CG2 4.23Å; T410-V412 PolarHBondContact O-N 3.05Å
411	D	98.9	Very high	98.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	114.2	175.4	56.4	-64.4	0	0	0	110.1	S68 L75 R169 R260 R414	S68-D411 PolarHBondContact OG-OD2 3.34Å; L75-D411 HydrophobicContact CD1-CB 3.45Å; L75-D411 VanDerWaalsContact CD1-CB 3.45Å; R169-D411 IonicContact CZ-OD1 3.26Å; R169-D411 VanDerWaalsContact CZ-OD1 3.25Å; R169-D411 IonicContact NH1-OD1 2.91Å; R169-D411 PolarHBondContact NH1-OD1 2.9Å; R169-D411 IonicContact NH2-OD1 3.32Å; R169-D411 PolarHBondContact NH2-OD1 3.42Å; R260-D411 IonicContact CZ-OD2 3.96Å; R260-D411 IonicContact NH1-OD2 2.71Å; R260-D411 VanDerWaalsContact NH2-CG 3.26Å; R260-D411 IonicContact NH2-OD1 3.86Å; R260-D411 PolarHBondContact NH2-OD1 3.29Å; R260-D411 VanDerWaalsContact NH2-OD1 3.09Å; R260-D411 IonicContact NH2-OD2 3.75Å; R260-D411 PolarHBondContact NH2-OD2 3.28Å; D411-R414 HydrophobicContact CB-CG 4.42Å; D411-R414 WeakPolarHBondContact OD2-CD 3.45Å; D411-R414 IonicContact OD2-CZ 3.89Å; D411-R414 IonicContact OD2-NE 3.31Å; D411-R414 PolarHBondContact OD2-NE 3.33Å
412	V	98.9	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-38.5	-176.5	177.6	0	0	0	0	110.7	V66 C67 E77 I79 Y203 T410	V66-V412 WeakPolarHBondContact CA-O 3.29Å; V66-V412 HydrophobicContact CB-CG1 4.35Å; V66-V412 HydrophobicContact CG2-CG1 3.82Å; C67-V412 PolarHBondContact N-O 3.44Å; E77-V412 HydrophobicContact CB-CB 4.35Å; E77-V412 HydrophobicContact CG-CB 4.2Å; E77-V412 PolarHBondContact O-N 2.87Å; I79-V412 HydrophobicContact CD1-CG2 3.81Å; I79-V412 HydrophobicContact CG1-CG2 3.68Å; Y203-V412 HydrophobicContact CE1-CG1 4.08Å; Y203-V412 HydrophobicContact CE2-CG1 4.06Å; Y203-V412 HydrophobicContact CE2-CG2 4.26Å; T410-V412 PolarHBondContact O-N 3.05Å
413	R	98.9	Very high	96.8	Very high	48 Å²	48	38.1 Å²	38.1	18%	0.181	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	126	-179.7	-166.4	166.9	61.2	-101.3	-1.6	111.5	P65 C67 E76 E77	P65-R413 PolarHBondContact O-NH1 3.21Å; C67-R413 HydrophobicContact CB-CG 4.31Å; C67-R413 CarbonylContact O-C 3.6Å; C67-R413 VanDerWaalsContact O-CA 3.26Å; C67-R413 WeakPolarHBondContact O-CA 3.45Å; E76-R413 HydrophobicContact CB-CB 4.29Å; E76-R413 HydrophobicContact CB-CG 4.26Å; E76-R413 PolarHBondContact N-O 3Å; E76-R413 WeakPolarHBondContact OE2-CD 3.43Å; E76-R413 IonicContact OE2-CZ 3Å; E76-R413 IonicContact OE2-NE 2.69Å; E76-R413 PolarHBondContact OE2-NE 2.96Å; E77-R413 HydrophobicContact CB-CB 3.99Å; E77-R413 PolarHBondContact N-O 3.2Å; E77-R413 PolarHBondContact O-N 3.35Å; E77-R413 VanDerWaalsContact O-N 3.09Å; E77-R413 IonicContact OE2-CZ 2.87Å; E77-R413 IonicContact OE2-NH1 3.86Å; E77-R413 PolarHBondContact OE2-NH1 3.31Å; E77-R413 IonicContact OE2-NH2 3.7Å; E77-R413 PolarHBondContact OE2-NH2 3.01Å
414	R	98.9	Very high	96.7	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142	166	-65	-178.2	177.3	-85	1.4	108.9	C67 N70 E71 D73 P74 L75 M364 D411 G416	C67-R414 PolarHBondContact O-N 3.26Å; C67-R414 VanDerWaalsContact O-O 3.12Å; N70-R414 VanDerWaalsContact O-CD 3.24Å; N70-R414 WeakPolarHBondContact O-CD 3.38Å; N70-R414 PolarHBondContact O-NE 3.42Å; E71-R414 VanDerWaalsContact O-CZ 3.24Å; E71-R414 PolarHBondContact O-NH2 2.9Å; D73-R414 HydrophobicContact CB-CB 3.69Å; D73-R414 VanDerWaalsContact O-CD 3.31Å; D73-R414 WeakPolarHBondContact O-CD 3.29Å; D73-R414 WeakPolarHBondContact O-CG 3.37Å; D73-R414 PolarHBondContact O-NH1 3.26Å; P74-R414 CarbonylContact O-C 3.6Å; P74-R414 VanDerWaalsContact O-CA 3.24Å; P74-R414 WeakPolarHBondContact O-CA 3.2Å; L75-R414 HydrophobicContact CD1-CG 3.98Å; M364-R414 PolarHBondContact O-NH1 2.94Å; M364-R414 PolarHBondContact O-NH2 3.14Å; D411-R414 HydrophobicContact CB-CG 4.42Å; D411-R414 WeakPolarHBondContact OD2-CD 3.45Å; D411-R414 IonicContact OD2-CZ 3.89Å; D411-R414 IonicContact OD2-NE 3.31Å; D411-R414 PolarHBondContact OD2-NE 3.33Å; R414-G416 PolarHBondContact O-N 3.09Å
415	R	98.7	Very high	96.6	Very high	151 Å²	151	42.2 Å²	42.2	57%	0.57	20%	0.203	S	C	*	.	S	Bend	trans	-82.8	100.1	179.9	-172.6	171.7	59.3	-102.1	-1.6	110.6	P74 E76	P74-R415 HydrophobicContact CB-CB 4.37Å; P74-R415 WeakPolarHBondContact CD-O 3.29Å; P74-R415 PolarHBondContact O-N 3.38Å; E76-R415 HydrophobicContact CG-CB 4.4Å; E76-R415 WeakPolarHBondContact OE1-CB 3.38Å; E76-R415 IonicContact OE1-CZ 2.8Å; E76-R415 IonicContact OE1-NH1 3.79Å; E76-R415 PolarHBondContact OE1-NH1 3.46Å
416	G	97.5	Very high	96.5	Very high	24 Å²	24	44.3 Å²	44.3	25%	0.247	21%	0.213	C	C	.	.			trans	-176.2	-178.6	176.7	0	0	0	0	0	112	Y69 D73 R414	Y69-G416 WeakPolarHBondContact CE2-O 3.39Å; D73-G416 WeakPolarHBondContact OD2-CA 3.44Å; R414-G416 PolarHBondContact O-N 3.09Å
417	N	97.7	Very high	96.3	Very high	117 Å²	117	46.6 Å²	46.6	63%	0.626	22%	0.224	S	C	*	.			trans	-115.4	164.1	-177.6	-67.3	-54.7	0	0	0	111.1	Y69 E419	Y69-N417 VanDerWaalsContact CD2-C 3.48Å; N417-E419 PolarHBondContact O-N 3.2Å
418	L	98.4	Very high	96.2	Very high	45 Å²	45	49.4 Å²	49.4	24%	0.236	24%	0.237	C	C	.	.			trans	-71.8	109.9	172.2	-179.5	58.7	0	0	0	110.7	Y69 R263 Y289	Y69-L418 HydrophobicContact CD1-CB 3.82Å; Y69-L418 HydrophobicContact CD1-CD1 3.79Å; Y69-L418 HydrophobicContact CD1-CG 4.33Å; Y69-L418 HydrophobicContact CE1-CB 3.75Å; Y69-L418 HydrophobicContact CE1-CD1 4.4Å; Y69-L418 HydrophobicContact CE1-CG 4.49Å; Y69-L418 HydrophobicContact CG-CB 4.27Å; Y69-L418 HydrophobicContact CG-CD1 4.37Å; R263-L418 HydrophobicContact CB-CD1 4.49Å; R263-L418 HydrophobicContact CG-CD1 3.69Å; R263-L418 HydrophobicContact CG-CD2 4.21Å; R263-L418 HydrophobicContact CG-CG 3.83Å; Y289-L418 HydrophobicContact CD1-CD1 4.33Å; Y289-L418 HydrophobicContact CE1-CD1 3.57Å; Y289-L418 HydrophobicContact CE1-CD2 4.33Å
419	E	98.1	Very high	96	Very high	92 Å²	92	52.7 Å²	52.7	43%	0.43	25%	0.253	S	S	.	.			trans	-120.9	169.4	178.7	-65.8	178.9	-177.8	0	0	111.9	G262 R263 N417 Y421	G262-E419 CarbonylContact C-O 3.59Å; G262-E419 WeakPolarHBondContact CA-O 3.37Å; R263-E419 WeakPolarHBondContact CG-O 3.44Å; R263-E419 PolarHBondContact N-O 3.04Å; N417-E419 PolarHBondContact O-N 3.2Å; E419-Y421 HydrophobicContact CB-CE1 4.09Å; E419-Y421 HydrophobicContact CB-CE2 3.94Å; E419-Y421 WeakPolarHBondContact CB-OH 3.48Å; E419-Y421 VanDerWaalsContact OE2-CE1 3.26Å; E419-Y421 WeakPolarHBondContact OE2-CE1 3.27Å; E419-Y421 VanDerWaalsContact OE2-CZ 3.29Å; E419-Y421 PolarHBondContact OE2-OH 2.58Å
420	S	97.7	Very high	95.8	Very high	38 Å²	38	56.4 Å²	56.4	27%	0.266	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-111.2	124	172.1	-165.9	0	0	0	0	107.7	F422 H423	S420-F422 PolarHBondContact OG-O 3.3Å; S420-H423 PolarHBondContact O-CE1 3.45Å; S420-H423 PolarHBondContact O-NE2 3.16Å
421	Y	96.2	Very high	95.6	Very high	29 Å²	29	60.8 Å²	60.8	11%	0.114	29%	0.292	C	S	.	.			trans	-108.3	1.7	176.5	-55.1	-75.1	0	0	0	112.3	W72 A261 P313 W335 E419	W72-Y421 AromaticContact CH2-CD2 3.86Å; W72-Y421 HydrophobicContact CH2-CD2 3.86Å; W72-Y421 HydrophobicContact CH2-CE2 4.09Å; W72-Y421 HydrophobicContact CH2-CG 4.36Å; W72-Y421 HydrophobicContact CZ2-CD1 4.27Å; W72-Y421 AromaticContact CZ2-CD2 3.57Å; W72-Y421 HydrophobicContact CZ2-CD2 3.57Å; W72-Y421 HydrophobicContact CZ2-CE1 4.19Å; W72-Y421 AromaticContact CZ2-CE2 3.45Å; W72-Y421 HydrophobicContact CZ2-CE2 3.45Å; W72-Y421 VanDerWaalsContact CZ2-CE2 3.45Å; W72-Y421 AromaticContact CZ2-CG 3.97Å; W72-Y421 HydrophobicContact CZ2-CG 3.97Å; W72-Y421 AromaticContact CZ2-CZ 3.77Å; A261-Y421 WeakPolarHBondContact O-CD2 3.48Å; P313-Y421 HydrophobicContact CB-CD1 3.74Å; P313-Y421 HydrophobicContact CB-CE1 3.84Å; W335-Y421 PolarHBondContact NE1-O 2.75Å; E419-Y421 HydrophobicContact CB-CE1 4.09Å; E419-Y421 HydrophobicContact CB-CE2 3.94Å; E419-Y421 WeakPolarHBondContact CB-OH 3.48Å; E419-Y421 VanDerWaalsContact OE2-CE1 3.26Å; E419-Y421 WeakPolarHBondContact OE2-CE1 3.27Å; E419-Y421 VanDerWaalsContact OE2-CZ 3.29Å; E419-Y421 PolarHBondContact OE2-OH 2.58Å
422	F	83.6	Confident	95.3	Very high	40 Å²	40	65.8 Å²	65.8	18%	0.175	32%	0.316	C	S	.	.			trans	-118.7	101.6	-177.9	-152.6	-97.2	0	0	0	108.2	D264 F266 M329 F330 A333 W335 S420	D264-F422 HydrophobicContact CB-CB 4.46Å; D264-F422 WeakPolarHBondContact OD2-CB 3.37Å; F266-F422 AromaticContact CZ-CD2 3.98Å; F266-F422 HydrophobicContact CZ-CD2 3.98Å; F266-F422 HydrophobicContact CZ-CE2 4.3Å; F266-F422 HydrophobicContact CZ-CG 4.41Å; M329-F422 HydrophobicContact CB-CZ 3.87Å; M329-F422 HydrophobicContact CE-CE1 3.48Å; M329-F422 VanDerWaalsContact CE-CE1 3.48Å; M329-F422 HydrophobicContact CE-CE2 4.12Å; M329-F422 HydrophobicContact CE-CZ 3.27Å; M329-F422 HydrophobicContact CG-CE2 4.22Å; M329-F422 HydrophobicContact CG-CZ 3.63Å; M329-F422 WeakPolarHBondContact O-CZ 2.98Å; M329-F422 HydrophobicContact SD-CZ 4.31Å; F330-F422 HydrophobicContact CD1-CD2 4.4Å; F330-F422 AromaticContact CD1-CE2 3.77Å; F330-F422 HydrophobicContact CD1-CE2 3.77Å; F330-F422 HydrophobicContact CE1-CE2 4.11Å; F330-F422 HydrophobicContact CG-CE2 4.25Å; A333-F422 HydrophobicContact CB-CD2 3.89Å; A333-F422 HydrophobicContact CB-CE2 3.74Å; A333-F422 HydrophobicContact CB-CG 4.39Å; A333-F422 HydrophobicContact CB-CZ 4.11Å; W335-F422 HydrophobicContact CZ2-CD2 4.09Å; W335-F422 AromaticContact NE1-CD2 3.99Å; S420-F422 PolarHBondContact OG-O 3.3Å
423	H	78.8	Confident	94.9	Very high	202 Å²	202	71.8 Å²	71.8	94%	0.935	35%	0.345	S	S	*	.			trans	-110.7	0	-175.1	-66	-55.4	0	0	0	112.7	S420	S420-H423 PolarHBondContact O-CE1 3.45Å; S420-H423 PolarHBondContact O-NE2 3.16Å

Retrieved 423 of 423 residues in 235.4 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).