A0A077Z0H6_TRITR Loading...

Deoxyribonuclease (DNase) II

Non-catalytic subunit of AMP-activated protein kinase (AMPK), an energy sensor protein kinase that plays a key role in regulating cellular energy metabolism. In response to reduction of intracellular ATP levels, AMPK activates energy-producing pathways and inhibits energy-consuming processes: inhibits protein, carbohydrate and lipid biosynthesis, as well as cell growth and proliferation. AMPK acts via direct phosphorylation of metabolic enzymes, and by longer-term effects via phosphorylation of transcription regulators. Also acts as a regulator of cellular polarity by remodeling the actin cytoskeleton; probably by indirectly activating myosin. Beta non-catalytic subunit acts as a scaffold on which the AMPK complex assembles, via its C-terminus that bridges alpha (PRKAA1 or PRKAA2) and gamma subunits (PRKAG1, PRKAG2 or PRKAG3).

AlphaFold DB , UniProt , Accession A0A077Z0H6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 525 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	33.5	Very low	29.5	Very low	243 Å²	243	155.1 Å²	155.1	100%	1.197	86%	0.862	S	S	*	*				0	102.6	0	-81	176.8	171.8	0	0	108.4
2	I	31.6	Very low	29	Very low	160 Å²	160	154.3 Å²	154.3	82%	0.821	85%	0.853	S	S	*	*			trans	-130.9	97	166.9	-62.8	178.7	0	0	0	104.9	I4	I2-I4 HydrophobicContact CG2-CG1 4.2Å
3	A	31.3	Very low	28.5	Very low	104 Å²	104	156.4 Å²	156.4	86%	0.86	85%	0.848	S	S	*	*			trans	-91.7	118.6	173.5	0	0	0	0	0	107.6
4	I	32	Very low	28.4	Very low	145 Å²	145	162.7 Å²	162.7	74%	0.744	85%	0.853	S	S	*	*			trans	-96	108.8	177.4	-63.5	176.9	0	0	0	107.6	I2	I2-I4 HydrophobicContact CG2-CG1 4.2Å
5	H	27.8	Very low	28.1	Very low	192 Å²	192	161.9 Å²	161.9	89%	0.889	85%	0.849	S	S	*	*			trans	-72.4	124.8	166.3	-102.4	-55.2	0	0	0	109.7
6	L	34.9	Very low	28.3	Very low	165 Å²	165	162.4 Å²	162.4	86%	0.864	85%	0.85	S	S	*	*			trans	-108.3	114.4	163.2	-80.9	161.7	0	0	0	108.5
7	G	27.4	Very low	28.2	Very low	70 Å²	70	159.1 Å²	159.1	72%	0.722	84%	0.844	S	S	*	*			trans	-84.5	156.9	-177.6	0	0	0	0	0	114.2
8	S	26.1	Very low	27.9	Very low	122 Å²	122	159.4 Å²	159.4	85%	0.853	84%	0.84	S	S	*	*			trans	-33	135.7	170.7	-49.6	0	0	0	0	117.8
9	V	28.6	Very low	28	Very low	144 Å²	144	158 Å²	158	87%	0.873	84%	0.841	S	S	*	*			trans	-101.2	124	162.8	176.1	0	0	0	0	109.5
10	R	23.1	Very low	27.9	Very low	230 Å²	230	156.6 Å²	156.6	87%	0.868	83%	0.833	S	S	*	*			trans	-106.3	131.3	169.9	-81.3	178	168.9	178.3	-2.3	109.2
11	V	28.6	Very low	27.8	Very low	131 Å²	131	155.3 Å²	155.3	79%	0.794	83%	0.831	S	S	*	*			trans	-158.8	102.4	148.3	-176.1	0	0	0	0	106.6
12	I	23.1	Very low	27.5	Very low	146 Å²	146	149.4 Å²	149.4	75%	0.749	81%	0.811	S	S	*	*				71	103.8	82.2	-58.3	177.5	0	0	0	116.5
13	K	22.5	Very low	27.1	Very low	181 Å²	181	146 Å²	146	79%	0.787	81%	0.807	S	S	*	*			trans	41.2	128.8	135.2	-63.6	-176.9	174.2	-178.3	0	122.6
14	R	27.3	Very low	26.8	Very low	245 Å²	245	150.6 Å²	150.6	93%	0.925	81%	0.81	S	S	*	*				-161.5	108.8	125.4	-96.3	177	-172.1	-163	1.3	107.1
15	L	23.6	Very low	26.5	Very low	150 Å²	150	152.7 Å²	152.7	79%	0.785	82%	0.817	S	S	*	*				53.7	91.2	73.9	-95.2	150	0	0	0	114.7
16	I	30.8	Very low	26.8	Very low	170 Å²	170	148.9 Å²	148.9	87%	0.872	81%	0.809	S	S	*	*			trans	-134.2	135	148.1	-61.9	-177.3	0	0	0	107.6
17	S	26.5	Very low	26.5	Very low	106 Å²	106	147.1 Å²	147.1	74%	0.741	81%	0.805	S	S	*	*			trans	-86	160.2	-165.5	49.3	0	0	0	0	115.1
18	Q	23	Very low	26.5	Very low	166 Å²	166	151.2 Å²	151.2	78%	0.776	81%	0.811	S	S	*	*			trans	-60.7	168.4	177.3	-60	175.6	-42.5	0	0	115.6
19	P	29.7	Very low	26.6	Very low	132 Å²	132	152.9 Å²	152.9	86%	0.857	81%	0.81	S	S	*	*				-124.9	157.4	115.6	21.7	-5.1	0	0	0	114.9
20	N	26.6	Very low	26.7	Very low	130 Å²	130	154.9 Å²	154.9	70%	0.695	81%	0.81	S	S	*	*			trans	-65.5	140.2	-170.2	-73.7	-38.9	0	0	0	116.5
21	V	25.5	Very low	27.1	Very low	129 Å²	129	151.8 Å²	151.8	78%	0.782	81%	0.805	S	S	*	*				75.9	142.7	106.5	176.9	0	0	0	0	115
22	P	28.5	Very low	27.2	Very low	120 Å²	120	152.9 Å²	152.9	78%	0.779	81%	0.805	S	S	*	*			cis	-129.3	169.7	20.2	18.6	7.6	0	0	0	118.4
23	A	22.6	Very low	27.7	Very low	88 Å²	88	153.9 Å²	153.9	73%	0.727	81%	0.806	S	S	*	*			trans	-75.3	141.8	177.3	0	0	0	0	0	114.3
24	H	25.6	Very low	28.2	Very low	201 Å²	201	150.8 Å²	150.8	93%	0.931	80%	0.802	S	S	*	*			trans	-136.3	136.8	143.8	-96.8	-35.9	0	0	0	110.2
25	Q	25.8	Very low	28.5	Very low	189 Å²	189	144.5 Å²	144.5	88%	0.883	79%	0.791	S	S	*	*			trans	-90.1	169.2	-179.9	-100.9	-179	-57	0	0	111.1
26	P	33.6	Very low	28.9	Very low	112 Å²	112	144.8 Å²	144.8	73%	0.727	79%	0.793	S	S	*	*			trans	-103.9	159.4	-138.4	39.3	-35	0	0	0	114.6
27	T	27.7	Very low	28.8	Very low	128 Å²	128	145.1 Å²	145.1	79%	0.785	79%	0.791	S	S	*	*			trans	-143.4	116.3	161.6	51.1	0	0	0	0	110.5
28	D	28.5	Very low	29.1	Very low	156 Å²	156	144 Å²	144	83%	0.834	79%	0.788	S	S	*	*			trans	49.5	135.6	136.7	-54.4	-21.9	0	0	0	122.9
29	D	27.6	Very low	29.3	Very low	156 Å²	156	141.6 Å²	141.6	83%	0.834	79%	0.787	S	S	*	*			trans	-50.4	123	179.5	-63.5	-59.1	0	0	0	114.7
30	E	30.9	Very low	29.2	Very low	187 Å²	187	141.5 Å²	141.5	87%	0.874	78%	0.784	S	S	*	*			trans	-106.9	102.2	163.1	-107.1	-176.9	168.3	0	0	110.1	I32	E30-I32 PolarHBondContact O-N 3.44Å
31	H	31.6	Very low	29.4	Very low	165 Å²	165	141 Å²	141	76%	0.764	79%	0.788	S	S	*	*			trans	-63.6	109.1	162.9	-84	-73.6	0	0	0	109.7	H33	H31-H33 PolarHBondContact O-N 3.12Å
32	I	31.3	Very low	29.8	Very low	154 Å²	154	140.7 Å²	140.7	79%	0.79	79%	0.786	S	S	*	*			trans	-71.7	96.1	172.3	-60.9	173.9	0	0	0	108.6	E30 T34	E30-I32 PolarHBondContact O-N 3.44Å; I32-T34 HydrophobicContact CG2-CG2 4.24Å; I32-T34 PolarHBondContact O-N 3.02Å
33	H	32.2	Very low	30.2	Very low	167 Å²	167	143.9 Å²	143.9	77%	0.773	79%	0.79	S	S	*	*			trans	-82.1	100.6	163.1	-83	-80.3	0	0	0	109.4	H31 V35	H31-H33 PolarHBondContact O-N 3.12Å; H33-V35 PolarHBondContact O-N 3.25Å
34	T	33.4	Very low	31.7	Very low	116 Å²	116	142.8 Å²	142.8	71%	0.712	77%	0.77	S	S	*	*			trans	-73.5	105.8	163	45.1	0	0	0	0	109.2	I32 N36	I32-T34 HydrophobicContact CG2-CG2 4.24Å; I32-T34 PolarHBondContact O-N 3.02Å; T34-N36 PolarHBondContact O-N 3.38Å
35	V	32.8	Very low	33.6	Very low	112 Å²	112	139.7 Å²	139.7	68%	0.679	76%	0.761	S	S	*	*			trans	-70.1	109.4	171.9	178.3	0	0	0	0	108.3	H33 E37	H33-V35 PolarHBondContact O-N 3.25Å; V35-E37 HydrophobicContact CG1-CG 4.23Å; V35-E37 PolarHBondContact O-N 2.88Å
36	N	33.7	Very low	36	Very low	157 Å²	157	137 Å²	137	84%	0.84	74%	0.744	S	S	*	*			trans	-75.5	98.4	163.7	-79.2	-27.1	0	0	0	107.4	T34 A38	T34-N36 PolarHBondContact O-N 3.38Å; N36-A38 PolarHBondContact O-N 2.82Å
37	E	28.3	Very low	38.2	Very low	176 Å²	176	135.4 Å²	135.4	82%	0.822	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-62.5	125.7	169.1	-73.9	-179.8	159.4	0	0	109.4	V35	V35-E37 HydrophobicContact CG1-CG 4.23Å; V35-E37 PolarHBondContact O-N 2.88Å
38	A	33.2	Very low	40.8	Very low	84 Å²	84	134.5 Å²	134.5	69%	0.694	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-62	134.4	173.1	0	0	0	0	0	109.3	N36 T40	N36-A38 PolarHBondContact O-N 2.82Å; A38-T40 PolarHBondContact O-N 3.19Å
39	P	27.4	Very low	43.1	Very low	114 Å²	114	128.2 Å²	128.2	74%	0.74	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-62	132	-178.7	23.2	-30.1	0	0	0	110.2
40	T	26.8	Very low	45.2	Very low	130 Å²	130	129.4 Å²	129.4	80%	0.798	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-54.2	126.5	172.8	34.8	0	0	0	0	109.6	A38 V42	A38-T40 PolarHBondContact O-N 3.19Å; T40-V42 PolarHBondContact O-N 3.35Å
41	P	30.8	Very low	46.8	Very low	119 Å²	119	125.2 Å²	125.2	77%	0.773	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-59.3	127.7	-178.3	-20.4	30.6	0	0	0	110.1	E43	P41-E43 PolarHBondContact O-N 3.3Å
42	V	33.9	Very low	48	Very low	123 Å²	123	120.4 Å²	120.4	75%	0.745	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-53	133.8	162.6	-177.1	0	0	0	0	106.5	T40 E44	T40-V42 PolarHBondContact O-N 3.35Å; V42-E44 VanDerWaalsContact C-N 3.28Å; V42-E44 PolarHBondContact O-N 3.03Å
43	E	36.6	Very low	49.1	Very low	187 Å²	187	117.8 Å²	117.8	87%	0.874	66%	0.661	S	S	*	*			trans	-56.5	91.8	175.2	-81	179.9	147.9	0	0	109.7	P41	P41-E43 PolarHBondContact O-N 3.3Å
44	E	54.1	Low	49.5	Very low	66 Å²	66	120.1 Å²	120.1	31%	0.308	67%	0.669	S	S	.	*			trans	-76.7	128.1	176.4	-72.1	-176.1	-162.5	0	0	108.8	V42 Y46 Y100 L106	V42-E44 VanDerWaalsContact C-N 3.28Å; V42-E44 PolarHBondContact O-N 3.03Å; E44-Y46 VanDerWaalsContact C-N 3.26Å; E44-Y46 HydrophobicContact CB-CD1 4.36Å; E44-Y46 WeakPolarHBondContact O-CD1 3.3Å; E44-Y46 VanDerWaalsContact O-CE1 3.28Å; E44-Y46 WeakPolarHBondContact O-CE1 3.24Å; E44-Y46 PolarHBondContact O-N 2.94Å; E44-Y100 PolarHBondContact OE2-OH 2.96Å; E44-L106 HydrophobicContact CB-CD1 4.1Å
45	N	65.9	Low	49.7	Very low	136 Å²	136	117.4 Å²	117.4	73%	0.727	66%	0.664	S	S	*	*			trans	-74	73.1	179.1	-74.6	-41.3	0	0	0	111.1	P107	N45-P107 WeakPolarHBondContact O-CD 3.22Å; N45-P107 WeakPolarHBondContact O-CG 3.07Å
46	Y	75.5	Confident	49.7	Very low	133 Å²	133	120 Å²	120	52%	0.522	67%	0.674	S	S	.	*	P	Polyproline II helix	trans	-82.9	144	173.9	47.6	-96.4	0	0	0	112	E44 L104	E44-Y46 VanDerWaalsContact C-N 3.26Å; E44-Y46 HydrophobicContact CB-CD1 4.36Å; E44-Y46 WeakPolarHBondContact O-CD1 3.3Å; E44-Y46 VanDerWaalsContact O-CE1 3.28Å; E44-Y46 WeakPolarHBondContact O-CE1 3.24Å; E44-Y46 PolarHBondContact O-N 2.94Å; Y46-L104 HydrophobicContact CD2-CD1 3.94Å; Y46-L104 HydrophobicContact CD2-CD2 3.89Å; Y46-L104 HydrophobicContact CD2-CG 4.43Å; Y46-L104 HydrophobicContact CE2-CD1 4.4Å; Y46-L104 HydrophobicContact CG-CD1 4.04Å
47	E	81.3	Confident	49.6	Very low	78 Å²	78	117.2 Å²	117.2	36%	0.364	67%	0.673	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.2	136.5	168.7	-71.8	179.3	-151.5	0	0	109.6	Y94 L104 K105	E47-Y94 HydrophobicContact CG-CE1 4.34Å; E47-Y94 VanDerWaalsContact OE1-CE1 3.22Å; E47-Y94 WeakPolarHBondContact OE1-CE1 3.39Å; E47-Y94 PolarHBondContact OE1-OH 3.29Å; E47-Y94 PolarHBondContact OE2-OH 3.2Å; E47-L104 WeakPolarHBondContact O-CA 3.44Å; E47-K105 HydrophobicContact CB-CD 4.38Å; E47-K105 HydrophobicContact CB-CG 3.88Å; E47-K105 PolarHBondContact N-O 3.3Å; E47-K105 PolarHBondContact O-N 3.13Å; E47-K105 WeakPolarHBondContact OE2-CE 3.26Å; E47-K105 IonicContact OE2-NZ 3.29Å; E47-K105 PolarHBondContact OE2-NZ 3.07Å
48	V	81.3	Confident	49.9	Very low	108 Å²	108	117.3 Å²	117.3	66%	0.655	67%	0.671	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.5	134	173.4	-175.5	0	0	0	0	109.3	L104	V48-L104 HydrophobicContact CB-CD2 4.37Å; V48-L104 HydrophobicContact CG2-CD2 3.79Å
49	M	77.5	Confident	49.7	Very low	24 Å²	24	117.7 Å²	117.7	12%	0.118	66%	0.661	C	S	.	*	P	Polyproline II helix	trans	-82.6	140.2	176.4	-68.3	-172.9	-81.6	0	0	111.8	S51 T96 W102 C103 K105 I133 W138	M49-S51 PolarHBondContact O-N 3.19Å; M49-S51 VanDerWaalsContact O-N 3.12Å; M49-T96 WeakPolarHBondContact CE-OG1 3.42Å; M49-W102 WeakPolarHBondContact CE-O 3.33Å; M49-C103 PolarHBondContact N-O 3.26Å; M49-K105 HydrophobicContact CG-CB 4.32Å; M49-K105 HydrophobicContact CG-CD 4.05Å; M49-K105 HydrophobicContact CG-CG 4.16Å; M49-K105 HydrophobicContact SD-CB 4.34Å; M49-I133 HydrophobicContact SD-CD1 3.68Å; M49-W138 HydrophobicContact CE-CH2 4.14Å; M49-W138 HydrophobicContact CE-CZ2 4.5Å; M49-W138 HydrophobicContact SD-CH2 3.86Å; M49-W138 HydrophobicContact SD-CZ2 3.68Å
50	D	70.3	Confident	50.1	Low	181 Å²	181	115.8 Å²	115.8	97%	0.968	65%	0.647	S	S	*	*	S	Bend	trans	-60.8	-23.1	-175.6	-67.2	-39.5	0	0	0	114.2
51	S	64.6	Low	50.2	Low	99 Å²	99	115.3 Å²	115.3	69%	0.692	64%	0.64	S	S	*	*			trans	-133.1	82.8	-179.3	63.4	0	0	0	0	111.5	M49	M49-S51 PolarHBondContact O-N 3.19Å; M49-S51 VanDerWaalsContact O-N 3.12Å
52	C	58.2	Low	50.3	Low	64 Å²	64	117.3 Å²	117.3	43%	0.432	64%	0.639	S	S	.	*			trans	-67.2	126.1	164	-173.5	0	0	0	0	107.7	K54 C103	C52-K54 PolarHBondContact O-N 3.1Å; C52-C103 HydrophobicContact CB-CB 3.86Å; C52-C103 WeakPolarHBondContact CB-SG 3.42Å; C52-C103 WeakPolarHBondContact SG-CB 3.35Å; C52-C103 CovalentContact SG-SG 2.04Å; C52-C103 PolarHBondContact SG-SG 2.91Å
53	P	53.8	Low	50.3	Low	100 Å²	100	113.2 Å²	113.2	65%	0.649	62%	0.616	S	S	*	*			trans	-57.2	107.2	-177.8	-22.6	31.6	0	0	0	111.1	G55	P53-G55 PolarHBondContact O-N 2.7Å
54	K	40.6	Very low	50.3	Low	216 Å²	216	109.5 Å²	109.5	94%	0.939	61%	0.606	S	S	*	*			trans	-86.2	67.7	167	-68.3	-174.9	-179.8	178	0	108.1	C52	C52-K54 PolarHBondContact O-N 3.1Å
55	G	36.6	Very low	49.4	Very low	58 Å²	58	107.1 Å²	107.1	60%	0.598	60%	0.599	S	S	*	*			trans	-108	137.4	175.8	0	0	0	0	0	110.1	P53 A57	P53-G55 PolarHBondContact O-N 2.7Å; G55-A57 PolarHBondContact O-N 3.17Å
56	D	34	Very low	48.2	Very low	166 Å²	166	103.1 Å²	103.1	89%	0.888	58%	0.58	S	S	*	*	S	Bend	trans	-41.6	119.2	-170	-62.8	-58.3	0	0	0	115.5	F58	D56-F58 PolarHBondContact O-N 2.96Å; D56-F58 VanDerWaalsContact O-N 3.14Å
57	A	31.1	Very low	46.4	Very low	100 Å²	100	102.5 Å²	102.5	83%	0.826	59%	0.585	S	S	*	*			trans	31.7	66	151.6	0	0	0	0	0	117	G55	G55-A57 PolarHBondContact O-N 3.17Å
58	F	33.9	Very low	44.5	Very low	177 Å²	177	99.4 Å²	99.4	78%	0.776	57%	0.573	S	S	*	*			trans	-82	109.4	141.2	-126.3	-93.1	0	0	0	106.1	D56 V60	D56-F58 PolarHBondContact O-N 2.96Å; D56-F58 VanDerWaalsContact O-N 3.14Å; F58-V60 PolarHBondContact O-N 2.8Å; F58-V60 VanDerWaalsContact O-N 3.09Å
59	D	29.5	Very low	42.4	Very low	92 Å²	92	97.7 Å²	97.7	49%	0.492	58%	0.576	S	S	.	*			trans	-56.5	116.6	-178.4	-165.9	-12	0	0	0	109.1	N61 E62 S63	D59-N61 PolarHBondContact O-N 3.23Å; D59-N61 VanDerWaalsContact O-N 3.08Å; D59-N61 WeakPolarHBondContact OD1-CB 3.45Å; D59-N61 PolarHBondContact OD1-N 3.25Å; D59-E62 PolarHBondContact O-N 3.43Å; D59-S63 PolarHBondContact O-N 3.04Å
60	V	35.3	Very low	40.9	Very low	74 Å²	74	99.4 Å²	99.4	45%	0.448	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.5	-20.7	-179.2	-179.6	0	0	0	0	110.6	F58 E62 S63	F58-V60 PolarHBondContact O-N 2.8Å; F58-V60 VanDerWaalsContact O-N 3.09Å; V60-E62 VanDerWaalsContact C-N 3.33Å; V60-S63 PolarHBondContact O-OG 2.83Å
61	N	29.8	Very low	39.9	Very low	121 Å²	121	95.6 Å²	95.6	65%	0.647	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-18.6	173.5	-67.5	-32.2	0	0	0	114.3	D59	D59-N61 PolarHBondContact O-N 3.23Å; D59-N61 VanDerWaalsContact O-N 3.08Å; D59-N61 WeakPolarHBondContact OD1-CB 3.45Å; D59-N61 PolarHBondContact OD1-N 3.25Å
62	E	33	Very low	39.1	Very low	161 Å²	161	96.5 Å²	96.5	75%	0.752	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-11.2	175.3	-78.8	-170.4	156.2	0	0	113.5	D59 V60	D59-E62 PolarHBondContact O-N 3.43Å; V60-E62 VanDerWaalsContact C-N 3.33Å
63	S	33.3	Very low	38.6	Very low	37 Å²	37	95.4 Å²	95.4	26%	0.259	57%	0.567	S	S	.	*	S	Bend	trans	-82.3	123.7	172.2	72.5	0	0	0	0	110.6	D59 V60 G65	D59-S63 PolarHBondContact O-N 3.04Å; V60-S63 PolarHBondContact O-OG 2.83Å; S63-G65 PolarHBondContact O-N 3.32Å
64	T	37.5	Very low	38.4	Very low	108 Å²	108	95.6 Å²	95.6	66%	0.663	56%	0.559	S	S	*	*			trans	-69	21.1	173.7	49.3	0	0	0	0	113.4	R77	T64-R77 PolarHBondContact O-NH1 2.82Å
65	G	33.5	Very low	38.8	Very low	16 Å²	16	92.9 Å²	92.9	17%	0.165	55%	0.55	C	S	.	*	S	Bend	trans	-68.1	155.8	167.5	0	0	0	0	0	111.4	S63 N67 S68	S63-G65 PolarHBondContact O-N 3.32Å; G65-N67 PolarHBondContact O-N 3.36Å; G65-S68 PolarHBondContact O-N 3.02Å
66	V	42.2	Very low	39.6	Very low	52 Å²	52	100.6 Å²	100.6	32%	0.315	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.7	-11.8	-166.5	177.6	0	0	0	0	114.8	Q74 P124	V66-Q74 PolarHBondContact O-NE2 3.3Å; V66-P124 HydrophobicContact CG2-CG 4.47Å
67	N	37.1	Very low	41	Very low	120 Å²	120	95.2 Å²	95.2	64%	0.642	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	16.3	-177.4	-69.9	-21	0	0	0	115.8	G65 G69	G65-N67 PolarHBondContact O-N 3.36Å; N67-G69 PolarHBondContact O-N 2.81Å; N67-G69 VanDerWaalsContact O-N 3.12Å
68	S	41.5	Very low	42.9	Very low	14 Å²	14	95.8 Å²	95.8	10%	0.098	51%	0.514	C	S	.	.			trans	-67.2	110	167.7	67	0	0	0	0	109.4	G65 C70	G65-S68 PolarHBondContact O-N 3.02Å; S68-C70 PolarHBondContact O-N 3.49Å
69	G	37.3	Very low	45	Very low	71 Å²	71	91.8 Å²	91.8	73%	0.732	49%	0.494	S	S	*	.			trans	-69.7	32.3	-170.4	0	0	0	0	0	117	N67	N67-G69 PolarHBondContact O-N 2.81Å; N67-G69 VanDerWaalsContact O-N 3.12Å
70	C	46.4	Very low	47.3	Very low	61 Å²	61	90.7 Å²	90.7	41%	0.412	49%	0.485	S	S	.	.			trans	-95.2	110.6	170.2	126.2	0	0	0	0	109.6	S68 D72 C73 Q74	S68-C70 PolarHBondContact O-N 3.49Å; C70-D72 PolarHBondContact O-N 3.35Å; C70-C73 VanDerWaalsContact C-SG 3.59Å; C70-C73 VanDerWaalsContact CA-SG 3.57Å; C70-C73 HydrophobicContact CB-CB 4.49Å; C70-C73 WeakPolarHBondContact CB-SG 3.26Å; C70-C73 PolarHBondContact O-N 2.96Å; C70-C73 VanDerWaalsContact O-N 3.11Å; C70-C73 PolarHBondContact O-SG 3.42Å; C70-C73 WeakPolarHBondContact SG-CB 3.47Å; C70-C73 PolarHBondContact SG-N 2.99Å; C70-C73 CovalentContact SG-SG 2.05Å; C70-C73 PolarHBondContact SG-SG 3.4Å; C70-Q74 PolarHBondContact O-N 3.45Å
71	S	48.1	Very low	49.4	Very low	100 Å²	100	90.9 Å²	90.9	70%	0.699	49%	0.488	S	S	*	.	H	α-helix	trans	-58.6	-30.7	-177	-37.4	0	0	0	0	112.5
72	D	48.6	Very low	52	Low	119 Å²	119	85.9 Å²	85.9	64%	0.636	46%	0.462	S	S	*	.	H	α-helix	trans	-74.7	-28.9	-179.1	-144.8	12.1	0	0	0	112.4	C70	C70-D72 PolarHBondContact O-N 3.35Å
73	C	47.2	Very low	54.7	Low	41 Å²	41	83.7 Å²	83.7	28%	0.277	46%	0.455	S	S	.	.	H	α-helix	trans	-86.4	-15.7	179.5	43.2	0	0	0	0	113.9	C70	C70-C73 VanDerWaalsContact C-SG 3.59Å; C70-C73 VanDerWaalsContact CA-SG 3.57Å; C70-C73 HydrophobicContact CB-CB 4.49Å; C70-C73 WeakPolarHBondContact CB-SG 3.26Å; C70-C73 PolarHBondContact O-N 2.96Å; C70-C73 VanDerWaalsContact O-N 3.11Å; C70-C73 PolarHBondContact O-SG 3.42Å; C70-C73 WeakPolarHBondContact SG-CB 3.47Å; C70-C73 PolarHBondContact SG-N 2.99Å; C70-C73 CovalentContact SG-SG 2.05Å; C70-C73 PolarHBondContact SG-SG 3.4Å
74	Q	49.6	Very low	57.5	Low	103 Å²	103	82.2 Å²	82.2	48%	0.481	44%	0.444	S	S	.	.	H	α-helix	trans	-76.3	-30.6	170.7	-72.7	-171.5	-30.4	0	0	113	V66 C70 R76	V66-Q74 PolarHBondContact O-NE2 3.3Å; C70-Q74 PolarHBondContact O-N 3.45Å; Q74-R76 VanDerWaalsContact C-N 3.32Å; Q74-R76 PolarHBondContact O-N 3.13Å
75	Q	50.4	Low	60.2	Low	160 Å²	160	78.6 Å²	78.6	75%	0.748	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.6	-174.9	-79.9	-177	-12.2	0	0	115.1
76	R	52.8	Low	63.1	Low	219 Å²	219	78.5 Å²	78.5	83%	0.826	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-6.9	-174.1	-69.7	-169.1	-179.1	-170.4	2	116.1	Q74 Q78	Q74-R76 VanDerWaalsContact C-N 3.32Å; Q74-R76 PolarHBondContact O-N 3.13Å; R76-Q78 PolarHBondContact O-N 3.4Å
77	R	62.1	Low	65.4	Low	53 Å²	53	79.5 Å²	79.5	20%	0.2	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-82.1	121.4	-176.7	-70.1	-175.1	-179.2	175.4	3.4	111	T64 Y79 P124	T64-R77 PolarHBondContact O-NH1 2.82Å; R77-Y79 HydrophobicContact CB-CE2 4.35Å; R77-Y79 VanDerWaalsContact O-CD2 3.28Å; R77-Y79 WeakPolarHBondContact O-CD2 3.44Å; R77-Y79 WeakPolarHBondContact O-CE2 3.47Å; R77-Y79 PolarHBondContact O-N 3.24Å; R77-P124 HydrophobicContact CB-CB 4.12Å
78	Q	72.1	Confident	68	Low	113 Å²	113	78.5 Å²	78.5	53%	0.528	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-76	123.2	173.2	-169.2	177.7	27.1	0	0	109	R76 P124 T125	R76-Q78 PolarHBondContact O-N 3.4Å; Q78-P124 CarbonylContact O-C 3.56Å; Q78-P124 WeakPolarHBondContact O-CA 2.97Å; Q78-T125 HydrophobicContact CB-CG2 4.21Å; Q78-T125 PolarHBondContact O-N 3.46Å
79	Y	77.8	Confident	70.3	Confident	92 Å²	92	79.4 Å²	79.4	36%	0.361	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	139.7	173.5	-69.1	-99.9	0	0	0	110	R77 L123 P124	R77-Y79 HydrophobicContact CB-CE2 4.35Å; R77-Y79 VanDerWaalsContact O-CD2 3.28Å; R77-Y79 WeakPolarHBondContact O-CD2 3.44Å; R77-Y79 WeakPolarHBondContact O-CE2 3.47Å; R77-Y79 PolarHBondContact O-N 3.24Å; Y79-L123 CarbonylContact C-O 3.45Å; Y79-L123 WeakPolarHBondContact CA-O 3.28Å; Y79-P124 HydrophobicContact CD1-CB 4.15Å; Y79-P124 HydrophobicContact CE1-CB 3.92Å; Y79-P124 HydrophobicContact CE1-CG 4.15Å
80	K	77	Confident	72.8	Confident	69 Å²	69	78 Å²	78	30%	0.3	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.9	175.3	-69.7	-178	178.5	174.9	0	110.1	M122 L123 F160	K80-M122 WeakPolarHBondContact O-CA 3.43Å; K80-L123 PolarHBondContact N-O 3.46Å; K80-L123 PolarHBondContact O-N 3.48Å; K80-F160 HydrophobicContact CD-CD1 4.2Å
81	P	80.1	Confident	74.8	Confident	79 Å²	79	84.4 Å²	84.4	51%	0.513	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.5	170.2	26.2	-30.6	0	0	0	110	E120 M122	P81-E120 HydrophobicContact CB-CG 4.29Å; P81-E120 WeakPolarHBondContact CB-OE1 3.48Å; P81-M122 VanDerWaalsContact CA-SD 3.52Å; P81-M122 HydrophobicContact CB-SD 3.76Å; P81-M122 HydrophobicContact CG-SD 4.29Å
82	V	85.1	Confident	77	Confident	15 Å²	15	86.2 Å²	86.2	9%	0.091	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.5	-179.8	-171.5	0	0	0	0	109.2	F84 E120 L121 L123 L158 F160	V82-F84 HydrophobicContact CB-CD2 4.37Å; V82-F84 HydrophobicContact CB-CE2 3.82Å; V82-F84 HydrophobicContact CB-CZ 4.41Å; V82-F84 HydrophobicContact CG1-CD2 4.06Å; V82-F84 HydrophobicContact CG1-CE1 4.45Å; V82-F84 HydrophobicContact CG1-CE2 3.59Å; V82-F84 HydrophobicContact CG1-CZ 3.81Å; V82-F84 PolarHBondContact O-N 2.86Å; V82-E120 CarbonylContact O-C 3.59Å; V82-E120 VanDerWaalsContact O-CA 3.31Å; V82-E120 WeakPolarHBondContact O-CA 3.38Å; V82-L121 WeakPolarHBondContact CB-O 2.92Å; V82-L121 PolarHBondContact N-O 3.36Å; V82-L121 PolarHBondContact O-N 3.39Å; V82-L123 HydrophobicContact CB-CD1 4.5Å; V82-L123 HydrophobicContact CG2-CB 4.05Å; V82-L123 HydrophobicContact CG2-CD1 4.1Å; V82-L123 HydrophobicContact CG2-CG 4.2Å; V82-L158 HydrophobicContact CG1-CD2 3.68Å; V82-L158 HydrophobicContact CG2-CD2 4.24Å; V82-F160 HydrophobicContact CB-CZ 4.46Å; V82-F160 HydrophobicContact CG1-CZ 4.34Å; V82-F160 HydrophobicContact CG2-CE1 4.34Å; V82-F160 HydrophobicContact CG2-CE2 3.79Å; V82-F160 HydrophobicContact CG2-CZ 3.32Å
83	L	89.4	Confident	79.2	Confident	115 Å²	115	80.9 Å²	80.9	60%	0.602	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	108.2	173.3	-173.9	67.1	0	0	0	110.5	V118 E120	L83-V118 HydrophobicContact CD1-CB 4.16Å; L83-E120 HydrophobicContact CD1-CB 4.38Å
84	F	92.6	Very high	81.5	Confident	7 Å²	7	80 Å²	80	3%	0.031	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	136.7	168.9	-67.1	-89.4	0	0	0	109.7	V82 L95 F99 M108 V118 V119 L121 L123 Y130 L158	V82-F84 HydrophobicContact CB-CD2 4.37Å; V82-F84 HydrophobicContact CB-CE2 3.82Å; V82-F84 HydrophobicContact CB-CZ 4.41Å; V82-F84 HydrophobicContact CG1-CD2 4.06Å; V82-F84 HydrophobicContact CG1-CE1 4.45Å; V82-F84 HydrophobicContact CG1-CE2 3.59Å; V82-F84 HydrophobicContact CG1-CZ 3.81Å; V82-F84 PolarHBondContact O-N 2.86Å; F84-L95 HydrophobicContact CB-CD2 3.9Å; F84-L95 HydrophobicContact CD1-CD1 3.84Å; F84-L95 HydrophobicContact CD1-CD2 3.97Å; F84-L95 HydrophobicContact CD2-CD2 3.46Å; F84-L95 VanDerWaalsContact CD2-CD2 3.46Å; F84-L95 HydrophobicContact CE1-CD1 4.23Å; F84-L95 HydrophobicContact CE1-CD2 4.37Å; F84-L95 HydrophobicContact CE2-CD2 3.91Å; F84-L95 HydrophobicContact CG-CD1 4.15Å; F84-L95 HydrophobicContact CG-CD2 3.49Å; F84-L95 VanDerWaalsContact CG-CD2 3.49Å; F84-L95 HydrophobicContact CG-CG 4.47Å; F84-L95 HydrophobicContact CZ-CD2 4.34Å; F84-F99 HydrophobicContact CZ-CE1 4.37Å; F84-M108 HydrophobicContact CB-CE 4.17Å; F84-V118 VanDerWaalsContact O-CA 3.26Å; F84-V118 WeakPolarHBondContact O-CA 3.46Å; F84-V119 HydrophobicContact CB-CG1 4.05Å; F84-V119 PolarHBondContact N-O 2.68Å; F84-V119 PolarHBondContact O-N 2.93Å; F84-L121 HydrophobicContact CD2-CB 4.34Å; F84-L121 HydrophobicContact CE2-CB 4.1Å; F84-L121 HydrophobicContact CE2-CD2 4.44Å; F84-L123 HydrophobicContact CE2-CD1 3.94Å; F84-L123 HydrophobicContact CZ-CD1 3.72Å; F84-Y130 AromaticContact CD1-CD2 3.94Å; F84-Y130 HydrophobicContact CD1-CD2 3.94Å; F84-Y130 AromaticContact CD1-CE2 3.73Å; F84-Y130 HydrophobicContact CD1-CE2 3.73Å; F84-Y130 HydrophobicContact CD1-CG 4.43Å; F84-Y130 AromaticContact CE1-CD1 3.84Å; F84-Y130 HydrophobicContact CE1-CD1 3.84Å; F84-Y130 AromaticContact CE1-CD2 3.77Å; F84-Y130 HydrophobicContact CE1-CD2 3.77Å; F84-Y130 AromaticContact CE1-CE1 3.84Å; F84-Y130 HydrophobicContact CE1-CE1 3.84Å; F84-Y130 AromaticContact CE1-CE2 3.77Å; F84-Y130 HydrophobicContact CE1-CE2 3.77Å; F84-Y130 AromaticContact CE1-CG 3.8Å; F84-Y130 HydrophobicContact CE1-CG 3.8Å; F84-Y130 AromaticContact CE1-CZ 3.8Å; F84-L158 HydrophobicContact CE1-CD2 4.37Å; F84-L158 HydrophobicContact CZ-CD2 3.9Å
85	S	92.5	Very high	83.7	Confident	32 Å²	32	75.1 Å²	75.1	22%	0.224	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.1	179.7	50.2	0	0	0	0	110.9	N117	S85-N117 CarbonylContact C-O 3.53Å; S85-N117 VanDerWaalsContact CA-O 3.32Å; S85-N117 WeakPolarHBondContact CA-O 3.39Å
86	W	94.6	Very high	85.7	Confident	14 Å²	14	67.5 Å²	67.5	5%	0.053	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	97.1	176.8	177.4	-94.6	0	0	0	109.7	H88 G89 V93 M108 T116 N117 F132 V134 T139 D141	W86-H88 VanDerWaalsContact C-N 3.34Å; W86-H88 HydrophobicContact CD2-CB 4.48Å; W86-H88 AromaticContact CD2-CD2 4Å; W86-H88 AromaticContact CE2-CD2 3.93Å; W86-H88 AromaticContact CE3-CD2 3.89Å; W86-H88 HydrophobicContact CH2-CB 4.3Å; W86-H88 AromaticContact CH2-CD2 3.64Å; W86-H88 HydrophobicContact CZ2-CB 3.6Å; W86-H88 AromaticContact CZ2-CD2 3.78Å; W86-H88 AromaticContact CZ3-CD2 3.72Å; W86-H88 PolarHBondContact O-N 2.83Å; W86-G89 PolarHBondContact NE1-O 3.12Å; W86-V93 HydrophobicContact CB-CG1 4.03Å; W86-V93 HydrophobicContact CG-CG1 3.94Å; W86-M108 HydrophobicContact CB-CE 4.13Å; W86-T116 PolarHBondContact N-OG1 3.01Å; W86-T116 PolarHBondContact O-OG1 3.3Å; W86-N117 HydrophobicContact CB-CB 4.2Å; W86-N117 PolarHBondContact N-O 3.44Å; W86-N117 PolarHBondContact O-N 3.49Å; W86-F132 HydrophobicContact CB-CD1 4.33Å; W86-F132 HydrophobicContact CB-CE1 4.28Å; W86-F132 HydrophobicContact CD2-CG 4.29Å; W86-F132 HydrophobicContact CE3-CB 4.04Å; W86-F132 HydrophobicContact CE3-CD1 4.14Å; W86-F132 AromaticContact CE3-CD2 3.42Å; W86-F132 HydrophobicContact CE3-CD2 3.42Å; W86-F132 VanDerWaalsContact CE3-CD2 3.42Å; W86-F132 HydrophobicContact CE3-CE1 4.48Å; W86-F132 AromaticContact CE3-CE2 3.81Å; W86-F132 HydrophobicContact CE3-CE2 3.81Å; W86-F132 AromaticContact CE3-CG 3.58Å; W86-F132 HydrophobicContact CE3-CG 3.58Å; W86-F132 HydrophobicContact CE3-CZ 4.32Å; W86-F132 HydrophobicContact CZ3-CB 4.24Å; W86-F132 AromaticContact CZ3-CD2 3.62Å; W86-F132 HydrophobicContact CZ3-CD2 3.62Å; W86-F132 HydrophobicContact CZ3-CE2 4.22Å; W86-F132 HydrophobicContact CZ3-CG 4.05Å; W86-V134 HydrophobicContact CD2-CG2 4.15Å; W86-V134 HydrophobicContact CH2-CG2 4.39Å; W86-V134 HydrophobicContact CZ2-CG2 3.68Å; W86-T139 HydrophobicContact CH2-CG2 3.52Å; W86-T139 HydrophobicContact CZ2-CG2 4.25Å; W86-T139 HydrophobicContact CZ3-CG2 4.32Å; W86-D141 HydrophobicContact CE3-CB 4.37Å; W86-D141 HydrophobicContact CZ3-CB 4.06Å
87	P	91.3	Very high	87.5	Confident	72 Å²	72	57.1 Å²	57.1	47%	0.468	29%	0.29	S	S	.	.			trans	-87.9	4.7	-173.6	34.9	-35.7	0	0	0	114.2	T116	P87-T116 WeakPolarHBondContact CA-OG1 3.24Å
88	H	92.5	Very high	88.6	Confident	100 Å²	100	56 Å²	56	46%	0.463	29%	0.291	S	S	.	.	S	Bend	trans	-98	14.8	-167.9	-49.9	-67.5	0	0	0	114.1	W86 D141	W86-H88 VanDerWaalsContact C-N 3.34Å; W86-H88 HydrophobicContact CD2-CB 4.48Å; W86-H88 AromaticContact CD2-CD2 4Å; W86-H88 AromaticContact CE2-CD2 3.93Å; W86-H88 AromaticContact CE3-CD2 3.89Å; W86-H88 HydrophobicContact CH2-CB 4.3Å; W86-H88 AromaticContact CH2-CD2 3.64Å; W86-H88 HydrophobicContact CZ2-CB 3.6Å; W86-H88 AromaticContact CZ2-CD2 3.78Å; W86-H88 AromaticContact CZ3-CD2 3.72Å; W86-H88 PolarHBondContact O-N 2.83Å; H88-D141 IonicContact CE1-OD1 3.96Å; H88-D141 IonicContact NE2-OD1 3.03Å; H88-D141 PolarHBondContact NE2-OD1 2.8Å; H88-D141 VanDerWaalsContact NE2-OD1 3.09Å
89	G	88.4	Confident	89.3	Confident	33 Å²	33	51.5 Å²	51.5	34%	0.34	27%	0.269	S	S	.	.			trans	71.5	-173.3	-179.2	0	0	0	0	0	114.5	W86	W86-G89 PolarHBondContact NE1-O 3.12Å
90	G	89.6	Confident	89.5	Confident	40 Å²	40	48.9 Å²	48.9	41%	0.412	26%	0.259	S	S	.	.			trans	127.6	152.2	-175	0	0	0	0	0	111.9
91	K	89.5	Confident	89.7	Confident	196 Å²	196	48.9 Å²	48.9	85%	0.852	26%	0.262	S	S	*	.	S	Bend	trans	-84.4	-38	-179.9	-60.2	178.8	179.7	176.4	0	112.3	D135	K91-D135 WeakPolarHBondContact CA-OD1 3.4Å; K91-D135 VanDerWaalsContact CB-OD1 3.29Å; K91-D135 WeakPolarHBondContact CB-OD1 3.41Å; K91-D135 PolarHBondContact N-OD1 3.49Å; K91-D135 PolarHBondContact N-OD2 3.21Å
92	R	93.1	Very high	90	Very high	139 Å²	139	47.7 Å²	47.7	53%	0.525	25%	0.248	S	C	.	.	S	Bend	trans	-130.1	115.8	175.4	-65.3	-178.3	-67.1	176.3	1.8	109.2	Y94 V134 D135	R92-Y94 HydrophobicContact CB-CE2 3.91Å; R92-V134 WeakPolarHBondContact O-CA 3.35Å; R92-D135 PolarHBondContact N-OD1 3.02Å; R92-D135 PolarHBondContact O-N 3.42Å
93	V	96.1	Very high	89.8	Confident	6 Å²	6	48 Å²	48	4%	0.036	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.8	-179.7	-176.9	0	0	0	0	108.1	W86 M108 N117 I133 V134	W86-V93 HydrophobicContact CB-CG1 4.03Å; W86-V93 HydrophobicContact CG-CG1 3.94Å; V93-M108 HydrophobicContact CB-CB 4.23Å; V93-M108 HydrophobicContact CG1-CB 4.02Å; V93-M108 HydrophobicContact CG1-CG 4.31Å; V93-M108 HydrophobicContact CG1-SD 3.76Å; V93-M108 PolarHBondContact O-N 2.63Å; V93-N117 HydrophobicContact CB-CB 4.17Å; V93-N117 HydrophobicContact CG1-CB 4.18Å; V93-N117 HydrophobicContact CG2-CB 4.27Å; V93-I133 WeakPolarHBondContact CA-O 3.28Å; V93-V134 HydrophobicContact CG1-CG2 4.25Å; V93-V134 HydrophobicContact CG2-CG1 4.32Å; V93-V134 HydrophobicContact CG2-CG2 4.4Å
94	Y	95.1	Very high	89.7	Confident	24 Å²	24	44.5 Å²	44.5	9%	0.094	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.5	174.2	-58.7	-99.1	0	0	0	111	E47 R92 K105 L106 P107 F132 I133	E47-Y94 HydrophobicContact CG-CE1 4.34Å; E47-Y94 VanDerWaalsContact OE1-CE1 3.22Å; E47-Y94 WeakPolarHBondContact OE1-CE1 3.39Å; E47-Y94 PolarHBondContact OE1-OH 3.29Å; E47-Y94 PolarHBondContact OE2-OH 3.2Å; R92-Y94 HydrophobicContact CB-CE2 3.91Å; Y94-K105 HydrophobicContact CD1-CB 4.31Å; Y94-K105 HydrophobicContact CD1-CD 3.9Å; Y94-K105 HydrophobicContact CD1-CG 3.81Å; Y94-K105 HydrophobicContact CD2-CD 4.32Å; Y94-K105 HydrophobicContact CE1-CD 4.32Å; Y94-K105 HydrophobicContact CE1-CG 4.41Å; Y94-K105 HydrophobicContact CG-CB 4.4Å; Y94-K105 HydrophobicContact CG-CD 3.91Å; Y94-K105 HydrophobicContact CG-CG 4.15Å; Y94-L106 CarbonylContact C-O 3.59Å; Y94-L106 WeakPolarHBondContact CA-O 3.45Å; Y94-P107 HydrophobicContact CD1-CB 3.95Å; Y94-P107 HydrophobicContact CE1-CB 3.84Å; Y94-F132 CarbonylContact O-C 3.49Å; Y94-F132 WeakPolarHBondContact O-CA 3.27Å; Y94-I133 PolarHBondContact N-O 2.86Å; Y94-I133 PolarHBondContact O-N 3.22Å
95	L	95	Very high	89.6	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.1	170.1	176.8	67.7	0	0	0	109.7	F84 F99 K105 L106 M108 V119 Y130 F132	F84-L95 HydrophobicContact CB-CD2 3.9Å; F84-L95 HydrophobicContact CD1-CD1 3.84Å; F84-L95 HydrophobicContact CD1-CD2 3.97Å; F84-L95 HydrophobicContact CD2-CD2 3.46Å; F84-L95 VanDerWaalsContact CD2-CD2 3.46Å; F84-L95 HydrophobicContact CE1-CD1 4.23Å; F84-L95 HydrophobicContact CE1-CD2 4.37Å; F84-L95 HydrophobicContact CE2-CD2 3.91Å; F84-L95 HydrophobicContact CG-CD1 4.15Å; F84-L95 HydrophobicContact CG-CD2 3.49Å; F84-L95 VanDerWaalsContact CG-CD2 3.49Å; F84-L95 HydrophobicContact CG-CG 4.47Å; F84-L95 HydrophobicContact CZ-CD2 4.34Å; L95-F99 HydrophobicContact CD1-CZ 4.48Å; L95-F99 HydrophobicContact CD2-CZ 4.09Å; L95-F99 HydrophobicContact CG-CZ 4.07Å; L95-K105 CarbonylContact O-C 3.59Å; L95-K105 WeakPolarHBondContact O-CA 3.11Å; L95-L106 PolarHBondContact N-O 3.08Å; L95-L106 PolarHBondContact O-N 3.47Å; L95-M108 HydrophobicContact CB-CG 4.06Å; L95-M108 HydrophobicContact CB-SD 3.87Å; L95-V119 HydrophobicContact CB-CG1 4.33Å; L95-V119 HydrophobicContact CD2-CG1 3.7Å; L95-Y130 HydrophobicContact CD1-CD2 3.64Å; L95-Y130 HydrophobicContact CD1-CE2 4.47Å; L95-Y130 HydrophobicContact CD1-CG 4.25Å; L95-F132 HydrophobicContact CD1-CD1 4.27Å; L95-F132 HydrophobicContact CD1-CE1 3.91Å; L95-F132 HydrophobicContact CD1-CZ 4.43Å
96	T	92.4	Very high	89.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155.7	170.2	177.5	0	0	0	0	109.2	M49 W102 L104 Y130 K131 I133 W138	M49-T96 WeakPolarHBondContact CE-OG1 3.42Å; T96-W102 HydrophobicContact CG2-CE3 4.14Å; T96-W102 HydrophobicContact CG2-CZ3 4.21Å; T96-L104 WeakPolarHBondContact CB-O 3.37Å; T96-L104 PolarHBondContact OG1-O 3Å; T96-L104 VanDerWaalsContact OG1-O 3.08Å; T96-Y130 CarbonylContact O-C 3.58Å; T96-Y130 VanDerWaalsContact O-CA 3.24Å; T96-Y130 WeakPolarHBondContact O-CA 3.37Å; T96-Y130 VanDerWaalsContact O-CB 3.31Å; T96-Y130 WeakPolarHBondContact O-CB 3.14Å; T96-K131 HydrophobicContact CG2-CB 4.4Å; T96-K131 PolarHBondContact N-O 3.2Å; T96-K131 PolarHBondContact O-N 3.31Å; T96-K131 VanDerWaalsContact O-O 3.05Å; T96-I133 HydrophobicContact CG2-CD1 4.06Å; T96-I133 HydrophobicContact CG2-CG1 4.23Å; T96-W138 HydrophobicContact CG2-CE3 4.26Å; T96-W138 HydrophobicContact CG2-CH2 3.84Å; T96-W138 HydrophobicContact CG2-CZ3 3.49Å; T96-W138 VanDerWaalsContact CG2-CZ3 3.49Å
97	G	91.5	Very high	89.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	-173.1	178.1	0	0	0	0	0	114.1	F99 Y100 N101 W102 E129	G97-F99 PolarHBondContact O-N 2.98Å; G97-Y100 CarbonylContact O-C 3.47Å; G97-Y100 PolarHBondContact O-N 3.27Å; G97-N101 PolarHBondContact O-N 3.24Å; G97-W102 PolarHBondContact O-N 3.47Å; G97-E129 CarbonylContact C-O 3.52Å; G97-E129 WeakPolarHBondContact CA-O 3.32Å
98	S	85.8	Confident	89.6	Confident	30 Å²	30	43.3 Å²	43.3	21%	0.21	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-57.9	-33	176.6	57.8	0	0	0	0	112.4	Y100 N101 H128 E129	S98-Y100 PolarHBondContact O-N 2.74Å; S98-N101 PolarHBondContact O-N 2.67Å; S98-N101 PolarHBondContact O-OD1 2.63Å; S98-H128 WeakPolarHBondContact OG-CA 3.28Å; S98-E129 PolarHBondContact N-O 2.88Å; S98-E129 PolarHBondContact OG-N 3.27Å; S98-E129 VanDerWaalsContact OG-N 3.08Å; S98-E129 PolarHBondContact OG-O 3.38Å
99	F	85.7	Confident	89.5	Confident	19 Å²	19	42.7 Å²	42.7	8%	0.083	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-63.4	-19.2	174.9	47	-98.1	0	0	0	113.9	F84 L95 G97 L121 L123	F84-F99 HydrophobicContact CZ-CE1 4.37Å; L95-F99 HydrophobicContact CD1-CZ 4.48Å; L95-F99 HydrophobicContact CD2-CZ 4.09Å; L95-F99 HydrophobicContact CG-CZ 4.07Å; G97-F99 PolarHBondContact O-N 2.98Å; F99-L121 HydrophobicContact CD1-CD2 4.46Å; F99-L121 HydrophobicContact CD2-CD2 3.57Å; F99-L121 HydrophobicContact CE1-CD2 4.31Å; F99-L121 HydrophobicContact CE2-CD2 3.39Å; F99-L121 HydrophobicContact CG-CD2 4.12Å; F99-L121 HydrophobicContact CZ-CD2 3.8Å; F99-L123 HydrophobicContact CB-CD2 3.63Å; F99-L123 HydrophobicContact CD1-CD1 4.04Å; F99-L123 HydrophobicContact CD1-CD2 3.62Å; F99-L123 HydrophobicContact CD2-CD2 4.3Å; F99-L123 HydrophobicContact CE1-CD1 4.2Å; F99-L123 HydrophobicContact CE1-CD2 4.34Å; F99-L123 HydrophobicContact CG-CD2 3.6Å
100	Y	82.6	Confident	89.6	Confident	36 Å²	36	47.3 Å²	47.3	14%	0.141	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-109.6	16.3	172.1	-71.8	-36	0	0	0	113.5	E44 G97 S98 W102 C103 L104 L106	E44-Y100 PolarHBondContact OE2-OH 2.96Å; G97-Y100 CarbonylContact O-C 3.47Å; G97-Y100 PolarHBondContact O-N 3.27Å; S98-Y100 PolarHBondContact O-N 2.74Å; Y100-W102 PolarHBondContact O-N 2.9Å; Y100-C103 PolarHBondContact O-N 2.77Å; Y100-L104 HydrophobicContact CD1-CB 4.19Å; Y100-L104 HydrophobicContact CD1-CD1 3.97Å; Y100-L104 HydrophobicContact CD2-CB 4.17Å; Y100-L104 HydrophobicContact CE1-CD1 4.46Å; Y100-L104 HydrophobicContact CG-CB 3.82Å; Y100-L104 HydrophobicContact CG-CD1 4.44Å; Y100-L106 HydrophobicContact CE2-CB 4.1Å
101	N	81.5	Confident	89.4	Confident	69 Å²	69	47.2 Å²	47.2	37%	0.369	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	26.6	-172.6	-68.6	-10.6	0	0	0	113	G97 S98 C103	G97-N101 PolarHBondContact O-N 3.24Å; S98-N101 PolarHBondContact O-N 2.67Å; S98-N101 PolarHBondContact O-OD1 2.63Å; N101-C103 PolarHBondContact O-N 2.85Å; N101-C103 PolarHBondContact O-SG 2.9Å
102	W	86	Confident	89.2	Confident	55 Å²	55	43.5 Å²	43.5	21%	0.208	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	29.5	-173.9	-51.1	97.7	0	0	0	114.8	M49 T96 G97 Y100 E129 K131 W138 N155	M49-W102 WeakPolarHBondContact CE-O 3.33Å; T96-W102 HydrophobicContact CG2-CE3 4.14Å; T96-W102 HydrophobicContact CG2-CZ3 4.21Å; G97-W102 PolarHBondContact O-N 3.47Å; Y100-W102 PolarHBondContact O-N 2.9Å; W102-E129 HydrophobicContact CH2-CB 4.26Å; W102-E129 HydrophobicContact CZ2-CB 3.71Å; W102-K131 HydrophobicContact CH2-CG 4.19Å; W102-K131 HydrophobicContact CZ3-CB 3.97Å; W102-K131 HydrophobicContact CZ3-CD 4.44Å; W102-K131 HydrophobicContact CZ3-CG 4Å; W102-W138 HydrophobicContact CE3-CH2 4.36Å; W102-W138 AromaticContact CE3-CZ3 3.91Å; W102-W138 HydrophobicContact CE3-CZ3 3.91Å; W102-W138 HydrophobicContact CZ3-CZ3 4.13Å; W102-N155 VanDerWaalsContact CH2-ND2 3.25Å; W102-N155 WeakPolarHBondContact CH2-ND2 3.29Å; W102-N155 WeakPolarHBondContact CZ2-ND2 3.29Å
103	C	81.3	Confident	88.7	Confident	21 Å²	21	48 Å²	48	14%	0.142	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-14.9	-179.8	-58	0	0	0	0	113.6	M49 C52 Y100 N101	M49-C103 PolarHBondContact N-O 3.26Å; C52-C103 HydrophobicContact CB-CB 3.86Å; C52-C103 WeakPolarHBondContact CB-SG 3.42Å; C52-C103 WeakPolarHBondContact SG-CB 3.35Å; C52-C103 CovalentContact SG-SG 2.04Å; C52-C103 PolarHBondContact SG-SG 2.91Å; Y100-C103 PolarHBondContact O-N 2.77Å; N101-C103 PolarHBondContact O-N 2.85Å; N101-C103 PolarHBondContact O-SG 2.9Å
104	L	87.1	Confident	87.9	Confident	41 Å²	41	51.3 Å²	51.3	22%	0.215	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.3	171.9	-52.9	175.8	0	0	0	110.6	Y46 E47 V48 T96 Y100	Y46-L104 HydrophobicContact CD2-CD1 3.94Å; Y46-L104 HydrophobicContact CD2-CD2 3.89Å; Y46-L104 HydrophobicContact CD2-CG 4.43Å; Y46-L104 HydrophobicContact CE2-CD1 4.4Å; Y46-L104 HydrophobicContact CG-CD1 4.04Å; E47-L104 WeakPolarHBondContact O-CA 3.44Å; V48-L104 HydrophobicContact CB-CD2 4.37Å; V48-L104 HydrophobicContact CG2-CD2 3.79Å; T96-L104 WeakPolarHBondContact CB-O 3.37Å; T96-L104 PolarHBondContact OG1-O 3Å; T96-L104 VanDerWaalsContact OG1-O 3.08Å; Y100-L104 HydrophobicContact CD1-CB 4.19Å; Y100-L104 HydrophobicContact CD1-CD1 3.97Å; Y100-L104 HydrophobicContact CD2-CB 4.17Å; Y100-L104 HydrophobicContact CE1-CD1 4.46Å; Y100-L104 HydrophobicContact CG-CB 3.82Å; Y100-L104 HydrophobicContact CG-CD1 4.44Å
105	K	89.8	Confident	87.6	Confident	39 Å²	39	57.2 Å²	57.2	17%	0.17	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.5	173.1	66.8	-179.9	177.6	165.6	0	109.8	E47 M49 Y94 L95 I133	E47-K105 HydrophobicContact CB-CD 4.38Å; E47-K105 HydrophobicContact CB-CG 3.88Å; E47-K105 PolarHBondContact N-O 3.3Å; E47-K105 PolarHBondContact O-N 3.13Å; E47-K105 WeakPolarHBondContact OE2-CE 3.26Å; E47-K105 IonicContact OE2-NZ 3.29Å; E47-K105 PolarHBondContact OE2-NZ 3.07Å; M49-K105 HydrophobicContact CG-CB 4.32Å; M49-K105 HydrophobicContact CG-CD 4.05Å; M49-K105 HydrophobicContact CG-CG 4.16Å; M49-K105 HydrophobicContact SD-CB 4.34Å; Y94-K105 HydrophobicContact CD1-CB 4.31Å; Y94-K105 HydrophobicContact CD1-CD 3.9Å; Y94-K105 HydrophobicContact CD1-CG 3.81Å; Y94-K105 HydrophobicContact CD2-CD 4.32Å; Y94-K105 HydrophobicContact CE1-CD 4.32Å; Y94-K105 HydrophobicContact CE1-CG 4.41Å; Y94-K105 HydrophobicContact CG-CB 4.4Å; Y94-K105 HydrophobicContact CG-CD 3.91Å; Y94-K105 HydrophobicContact CG-CG 4.15Å; L95-K105 CarbonylContact O-C 3.59Å; L95-K105 WeakPolarHBondContact O-CA 3.11Å; K105-I133 HydrophobicContact CB-CD1 4.23Å; K105-I133 HydrophobicContact CD-CD1 4.07Å
106	L	91.6	Very high	87.5	Confident	9 Å²	9	58 Å²	58	5%	0.047	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.1	-176	-172.8	70.7	0	0	0	109.7	E44 Y94 L95 Y100 M108 V119	E44-L106 HydrophobicContact CB-CD1 4.1Å; Y94-L106 CarbonylContact C-O 3.59Å; Y94-L106 WeakPolarHBondContact CA-O 3.45Å; L95-L106 PolarHBondContact N-O 3.08Å; L95-L106 PolarHBondContact O-N 3.47Å; Y100-L106 HydrophobicContact CE2-CB 4.1Å; L106-M108 PolarHBondContact O-N 3Å; L106-V119 HydrophobicContact CD2-CB 4.44Å; L106-V119 HydrophobicContact CD2-CG1 4.16Å; L106-V119 HydrophobicContact CD2-CG2 3.5Å; L106-V119 VanDerWaalsContact CD2-CG2 3.5Å; L106-V119 HydrophobicContact CG-CG2 4.18Å
107	P	92.8	Very high	87.6	Confident	46 Å²	46	58.5 Å²	58.5	30%	0.299	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.4	178.9	26.3	-32.1	0	0	0	110.9	N45 Y94 P109	N45-P107 WeakPolarHBondContact O-CD 3.22Å; N45-P107 WeakPolarHBondContact O-CG 3.07Å; Y94-P107 HydrophobicContact CD1-CB 3.95Å; Y94-P107 HydrophobicContact CE1-CB 3.84Å; P107-P109 VanDerWaalsContact O-CD 3.32Å; P107-P109 WeakPolarHBondContact O-CD 3.41Å
108	M	93.6	Very high	87.6	Confident	6 Å²	6	59.9 Å²	59.9	3%	0.03	31%	0.305	C	S	.	.			trans	-103.8	100	178.1	-63.3	-178.7	68.6	0	0	110.1	F84 W86 V93 L95 L106 N117 V119 F132	F84-M108 HydrophobicContact CB-CE 4.17Å; W86-M108 HydrophobicContact CB-CE 4.13Å; V93-M108 HydrophobicContact CB-CB 4.23Å; V93-M108 HydrophobicContact CG1-CB 4.02Å; V93-M108 HydrophobicContact CG1-CG 4.31Å; V93-M108 HydrophobicContact CG1-SD 3.76Å; V93-M108 PolarHBondContact O-N 2.63Å; L95-M108 HydrophobicContact CB-CG 4.06Å; L95-M108 HydrophobicContact CB-SD 3.87Å; L106-M108 PolarHBondContact O-N 3Å; M108-N117 HydrophobicContact CB-CB 4Å; M108-N117 WeakPolarHBondContact CE-O 3.49Å; M108-N117 PolarHBondContact O-ND2 3.1Å; M108-V119 HydrophobicContact CE-CG1 4.25Å; M108-V119 HydrophobicContact CG-CB 4.18Å; M108-V119 HydrophobicContact CG-CG1 3.8Å; M108-V119 HydrophobicContact SD-CG1 4.45Å; M108-F132 HydrophobicContact CE-CD1 4.32Å; M108-F132 HydrophobicContact CE-CE1 3.75Å; M108-F132 HydrophobicContact SD-CD1 3.49Å; M108-F132 WeakPolarHBondContact SD-CD1 3.27Å; M108-F132 HydrophobicContact SD-CE1 3.46Å; M108-F132 WeakPolarHBondContact SD-CE1 3.31Å
109	P	90.3	Very high	87.8	Confident	88 Å²	88	59.6 Å²	59.6	57%	0.571	30%	0.301	S	S	*	.			trans	-62.5	145.6	179	25	-34.1	0	0	0	112.1	P107 C111 N117 V118	P107-P109 VanDerWaalsContact O-CD 3.32Å; P107-P109 WeakPolarHBondContact O-CD 3.41Å; P109-C111 PolarHBondContact O-N 3.37Å; P109-N117 WeakPolarHBondContact O-CA 3.46Å; P109-V118 WeakPolarHBondContact CD-O 3.46Å; P109-V118 PolarHBondContact O-N 2.77Å
110	Y	91.4	Very high	87.8	Confident	129 Å²	129	64.8 Å²	64.8	51%	0.506	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	117.7	176.2	-172.3	-101.3	0	0	0	110.5	T112 E115	Y110-T112 HydrophobicContact CD1-CG2 4.08Å; Y110-T112 HydrophobicContact CE1-CG2 4.19Å; Y110-T112 PolarHBondContact O-N 3.37Å; Y110-E115 VanDerWaalsContact OH-C 3.29Å; Y110-E115 VanDerWaalsContact OH-CA 3.27Å; Y110-E115 WeakPolarHBondContact OH-CA 3.45Å; Y110-E115 PolarHBondContact OH-O 3.15Å
111	C	86.3	Confident	87.9	Confident	38 Å²	38	63.5 Å²	63.5	26%	0.257	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	105.6	174.1	-179.8	0	0	0	0	109.6	P109 R113 C114 E115 T116 V118	P109-C111 PolarHBondContact O-N 3.37Å; C111-R113 PolarHBondContact O-N 3.22Å; C111-C114 HydrophobicContact CB-CB 4.2Å; C111-C114 PolarHBondContact O-N 2.94Å; C111-C114 VanDerWaalsContact O-N 3.15Å; C111-C114 PolarHBondContact SG-SG 3.01Å; C111-E115 PolarHBondContact O-N 3.13Å; C111-T116 WeakPolarHBondContact CB-O 3.48Å; C111-T116 PolarHBondContact N-O 2.82Å; C111-T116 PolarHBondContact O-N 2.77Å; C111-V118 HydrophobicContact CB-CG2 3.74Å
112	T	83.7	Confident	88	Confident	119 Å²	119	65.1 Å²	65.1	73%	0.73	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.6	179.6	49.9	0	0	0	0	113.6	Y110	Y110-T112 HydrophobicContact CD1-CG2 4.08Å; Y110-T112 HydrophobicContact CE1-CG2 4.19Å; Y110-T112 PolarHBondContact O-N 3.37Å
113	R	82.2	Confident	87.9	Confident	232 Å²	232	62.6 Å²	62.6	88%	0.875	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-36.4	176.9	-176.5	-175.6	-67.2	179.9	-0.1	112.5	C111	C111-R113 PolarHBondContact O-N 3.22Å
114	C	81	Confident	87.9	Confident	76 Å²	76	61.8 Å²	61.8	51%	0.514	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-4.5	-176.9	-54.5	0	0	0	0	112.3	C111 T116	C111-C114 HydrophobicContact CB-CB 4.2Å; C111-C114 PolarHBondContact O-N 2.94Å; C111-C114 VanDerWaalsContact O-N 3.15Å; C111-C114 PolarHBondContact SG-SG 3.01Å; C114-T116 HydrophobicContact CB-CG2 3.56Å; C114-T116 WeakPolarHBondContact O-CG2 3.18Å; C114-T116 PolarHBondContact O-N 2.62Å
115	E	89	Confident	87.4	Confident	149 Å²	149	60.5 Å²	60.5	70%	0.696	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	29.3	-175	-58.3	-177.9	176.8	0	0	113.9	Y110 C111	Y110-E115 VanDerWaalsContact OH-C 3.29Å; Y110-E115 VanDerWaalsContact OH-CA 3.27Å; Y110-E115 WeakPolarHBondContact OH-CA 3.45Å; Y110-E115 PolarHBondContact OH-O 3.15Å; C111-E115 PolarHBondContact O-N 3.13Å
116	T	92.4	Very high	87	Confident	16 Å²	16	59.8 Å²	59.8	10%	0.098	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	152.2	-172.7	-176.8	0	0	0	0	112.8	W86 P87 C111 C114 V118	W86-T116 PolarHBondContact N-OG1 3.01Å; W86-T116 PolarHBondContact O-OG1 3.3Å; P87-T116 WeakPolarHBondContact CA-OG1 3.24Å; C111-T116 WeakPolarHBondContact CB-O 3.48Å; C111-T116 PolarHBondContact N-O 2.82Å; C111-T116 PolarHBondContact O-N 2.77Å; C114-T116 HydrophobicContact CB-CG2 3.56Å; C114-T116 WeakPolarHBondContact O-CG2 3.18Å; C114-T116 PolarHBondContact O-N 2.62Å; T116-V118 HydrophobicContact CG2-CG1 3.52Å
117	N	93.3	Very high	86.6	Confident	10 Å²	10	63.6 Å²	63.6	5%	0.053	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.1	170	-68.2	86.7	0	0	0	109.2	S85 W86 V93 M108 P109	S85-N117 CarbonylContact C-O 3.53Å; S85-N117 VanDerWaalsContact CA-O 3.32Å; S85-N117 WeakPolarHBondContact CA-O 3.39Å; W86-N117 HydrophobicContact CB-CB 4.2Å; W86-N117 PolarHBondContact N-O 3.44Å; W86-N117 PolarHBondContact O-N 3.49Å; V93-N117 HydrophobicContact CB-CB 4.17Å; V93-N117 HydrophobicContact CG1-CB 4.18Å; V93-N117 HydrophobicContact CG2-CB 4.27Å; M108-N117 HydrophobicContact CB-CB 4Å; M108-N117 WeakPolarHBondContact CE-O 3.49Å; M108-N117 PolarHBondContact O-ND2 3.1Å; P109-N117 WeakPolarHBondContact O-CA 3.46Å
118	V	92.2	Very high	86.4	Confident	30 Å²	30	62 Å²	62	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.5	-175.3	-62.4	0	0	0	0	112.3	L83 F84 P109 C111 T116	L83-V118 HydrophobicContact CD1-CB 4.16Å; F84-V118 VanDerWaalsContact O-CA 3.26Å; F84-V118 WeakPolarHBondContact O-CA 3.46Å; P109-V118 WeakPolarHBondContact CD-O 3.46Å; P109-V118 PolarHBondContact O-N 2.77Å; C111-V118 HydrophobicContact CB-CG2 3.74Å; T116-V118 HydrophobicContact CG2-CG1 3.52Å
119	V	90.4	Very high	86.2	Confident	23 Å²	23	63.9 Å²	63.9	14%	0.139	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	142.5	168.4	71.2	0	0	0	0	109.5	F84 L95 L106 M108	F84-V119 HydrophobicContact CB-CG1 4.05Å; F84-V119 PolarHBondContact N-O 2.68Å; F84-V119 PolarHBondContact O-N 2.93Å; L95-V119 HydrophobicContact CB-CG1 4.33Å; L95-V119 HydrophobicContact CD2-CG1 3.7Å; L106-V119 HydrophobicContact CD2-CB 4.44Å; L106-V119 HydrophobicContact CD2-CG1 4.16Å; L106-V119 HydrophobicContact CD2-CG2 3.5Å; L106-V119 VanDerWaalsContact CD2-CG2 3.5Å; L106-V119 HydrophobicContact CG-CG2 4.18Å; M108-V119 HydrophobicContact CE-CG1 4.25Å; M108-V119 HydrophobicContact CG-CB 4.18Å; M108-V119 HydrophobicContact CG-CG1 3.8Å; M108-V119 HydrophobicContact SD-CG1 4.45Å
120	E	84.8	Confident	86.4	Confident	128 Å²	128	60.3 Å²	60.3	60%	0.598	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.8	175.5	-172.5	175.8	176	0	0	108.8	P81 V82 L83	P81-E120 HydrophobicContact CB-CG 4.29Å; P81-E120 WeakPolarHBondContact CB-OE1 3.48Å; V82-E120 CarbonylContact O-C 3.59Å; V82-E120 VanDerWaalsContact O-CA 3.31Å; V82-E120 WeakPolarHBondContact O-CA 3.38Å; L83-E120 HydrophobicContact CD1-CB 4.38Å
121	L	86.1	Confident	86.5	Confident	9 Å²	9	54.6 Å²	54.6	5%	0.047	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.4	-179.4	-176.2	65.4	0	0	0	110	V82 F84 F99 L123	V82-L121 WeakPolarHBondContact CB-O 2.92Å; V82-L121 PolarHBondContact N-O 3.36Å; V82-L121 PolarHBondContact O-N 3.39Å; F84-L121 HydrophobicContact CD2-CB 4.34Å; F84-L121 HydrophobicContact CE2-CB 4.1Å; F84-L121 HydrophobicContact CE2-CD2 4.44Å; F99-L121 HydrophobicContact CD1-CD2 4.46Å; F99-L121 HydrophobicContact CD2-CD2 3.57Å; F99-L121 HydrophobicContact CE1-CD2 4.31Å; F99-L121 HydrophobicContact CE2-CD2 3.39Å; F99-L121 HydrophobicContact CG-CD2 4.12Å; F99-L121 HydrophobicContact CZ-CD2 3.8Å; L121-L123 HydrophobicContact CD2-CD2 3.59Å; L121-L123 HydrophobicContact CD2-CG 4.1Å; L121-L123 HydrophobicContact CG-CD2 3.94Å; L121-L123 HydrophobicContact CG-CG 4.17Å; L121-L123 PolarHBondContact O-N 3.15Å
122	M	82.7	Confident	86.9	Confident	103 Å²	103	52.8 Å²	52.8	51%	0.507	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	113.3	172.7	-71.2	-71.8	-105.6	0	0	109.3	K80 P81	K80-M122 WeakPolarHBondContact O-CA 3.43Å; P81-M122 VanDerWaalsContact CA-SD 3.52Å; P81-M122 HydrophobicContact CB-SD 3.76Å; P81-M122 HydrophobicContact CG-SD 4.29Å
123	L	84.7	Confident	87.4	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.4	178.7	-68.2	-178.8	0	0	0	111	Y79 K80 V82 F84 F99 L121 H128 L158 F160	Y79-L123 CarbonylContact C-O 3.45Å; Y79-L123 WeakPolarHBondContact CA-O 3.28Å; K80-L123 PolarHBondContact N-O 3.46Å; K80-L123 PolarHBondContact O-N 3.48Å; V82-L123 HydrophobicContact CB-CD1 4.5Å; V82-L123 HydrophobicContact CG2-CB 4.05Å; V82-L123 HydrophobicContact CG2-CD1 4.1Å; V82-L123 HydrophobicContact CG2-CG 4.2Å; F84-L123 HydrophobicContact CE2-CD1 3.94Å; F84-L123 HydrophobicContact CZ-CD1 3.72Å; F99-L123 HydrophobicContact CB-CD2 3.63Å; F99-L123 HydrophobicContact CD1-CD1 4.04Å; F99-L123 HydrophobicContact CD1-CD2 3.62Å; F99-L123 HydrophobicContact CD2-CD2 4.3Å; F99-L123 HydrophobicContact CE1-CD1 4.2Å; F99-L123 HydrophobicContact CE1-CD2 4.34Å; F99-L123 HydrophobicContact CG-CD2 3.6Å; L121-L123 HydrophobicContact CD2-CD2 3.59Å; L121-L123 HydrophobicContact CD2-CG 4.1Å; L121-L123 HydrophobicContact CG-CD2 3.94Å; L121-L123 HydrophobicContact CG-CG 4.17Å; L121-L123 PolarHBondContact O-N 3.15Å; L123-H128 HydrophobicContact CD1-CB 4.49Å; L123-L158 HydrophobicContact CD1-CD2 3.79Å; L123-F160 HydrophobicContact CB-CE2 4.09Å; L123-F160 HydrophobicContact CD1-CE2 4.43Å
124	P	79.8	Confident	88.1	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.019	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	155.9	172.8	29.1	-33.1	0	0	0	110.3	V66 R77 Q78 Y79 H128	V66-P124 HydrophobicContact CG2-CG 4.47Å; R77-P124 HydrophobicContact CB-CB 4.12Å; Q78-P124 CarbonylContact O-C 3.56Å; Q78-P124 WeakPolarHBondContact O-CA 2.97Å; Y79-P124 HydrophobicContact CD1-CB 4.15Å; Y79-P124 HydrophobicContact CE1-CB 3.92Å; Y79-P124 HydrophobicContact CE1-CG 4.15Å; P124-H128 PolarHBondContact O-NE2 3.34Å
125	T	78.1	Confident	88.7	Confident	14 Å²	14	37 Å²	37	9%	0.086	19%	0.19	C	C	.	.	S	Bend	trans	-55.8	145	167.3	46.6	0	0	0	0	110.9	Q78 F160	Q78-T125 HydrophobicContact CB-CG2 4.21Å; Q78-T125 PolarHBondContact O-N 3.46Å; T125-F160 HydrophobicContact CG2-CB 4.17Å
126	G	80.4	Confident	88.8	Confident	25 Å²	25	34 Å²	34	26%	0.258	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	131.7	-170.2	-174.2	0	0	0	0	0	114	F160	G126-F160 PolarHBondContact N-O 3.3Å; G126-F160 PolarHBondContact O-N 2.81Å
127	H	84	Confident	88.8	Confident	88 Å²	88	37.4 Å²	37.4	41%	0.407	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.6	179.1	178.1	98.9	0	0	0	110.8	E129 I157	H127-E129 IonicContact CD2-OE1 3.84Å; H127-E129 WeakPolarHBondContact NE2-CG 3.5Å; H127-E129 IonicContact NE2-OE1 2.74Å; H127-E129 PolarHBondContact NE2-OE1 2.87Å; H127-I157 WeakPolarHBondContact CE1-CD1 3.4Å; H127-I157 VanDerWaalsContact CE1-CG1 3.49Å; H127-I157 WeakPolarHBondContact CE1-CG1 3.17Å; H127-I157 WeakPolarHBondContact ND1-CD1 3.44Å
128	H	87.2	Confident	88.7	Confident	13 Å²	13	42.9 Å²	42.9	6%	0.06	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.4	176.8	-61.9	-79	0	0	0	110.6	S98 L123 P124 I157 L158 F160	S98-H128 WeakPolarHBondContact OG-CA 3.28Å; L123-H128 HydrophobicContact CD1-CB 4.49Å; P124-H128 PolarHBondContact O-NE2 3.34Å; H128-I157 WeakPolarHBondContact O-CA 3.32Å; H128-L158 HydrophobicContact CB-CB 4.35Å; H128-L158 PolarHBondContact N-O 2.72Å; H128-L158 PolarHBondContact O-N 3.26Å; H128-F160 AromaticContact CD2-CD2 3.88Å
129	E	90.2	Very high	88.8	Confident	45 Å²	45	43.4 Å²	43.4	21%	0.21	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.7	172.3	-69.5	178	-153.1	0	0	109.5	G97 S98 W102 H127 N149 N155 N156	G97-E129 CarbonylContact C-O 3.52Å; G97-E129 WeakPolarHBondContact CA-O 3.32Å; S98-E129 PolarHBondContact N-O 2.88Å; S98-E129 PolarHBondContact OG-N 3.27Å; S98-E129 VanDerWaalsContact OG-N 3.08Å; S98-E129 PolarHBondContact OG-O 3.38Å; W102-E129 HydrophobicContact CH2-CB 4.26Å; W102-E129 HydrophobicContact CZ2-CB 3.71Å; H127-E129 IonicContact CD2-OE1 3.84Å; H127-E129 WeakPolarHBondContact NE2-CG 3.5Å; H127-E129 IonicContact NE2-OE1 2.74Å; H127-E129 PolarHBondContact NE2-OE1 2.87Å; E129-N149 PolarHBondContact OE2-OD1 3.22Å; E129-N155 HydrophobicContact CB-CB 4.32Å; E129-N155 PolarHBondContact OE2-ND2 3.17Å; E129-N156 CarbonylContact C-O 3.45Å; E129-N156 VanDerWaalsContact CA-O 3.32Å; E129-N156 WeakPolarHBondContact CA-O 3.33Å
130	Y	93.6	Very high	88.9	Confident	13 Å²	13	43 Å²	43	5%	0.051	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	160.6	-177.6	69.6	-81.7	0	0	0	112.4	F84 L95 T96 F132 N156 L158	F84-Y130 AromaticContact CD1-CD2 3.94Å; F84-Y130 HydrophobicContact CD1-CD2 3.94Å; F84-Y130 AromaticContact CD1-CE2 3.73Å; F84-Y130 HydrophobicContact CD1-CE2 3.73Å; F84-Y130 HydrophobicContact CD1-CG 4.43Å; F84-Y130 AromaticContact CE1-CD1 3.84Å; F84-Y130 HydrophobicContact CE1-CD1 3.84Å; F84-Y130 AromaticContact CE1-CD2 3.77Å; F84-Y130 HydrophobicContact CE1-CD2 3.77Å; F84-Y130 AromaticContact CE1-CE1 3.84Å; F84-Y130 HydrophobicContact CE1-CE1 3.84Å; F84-Y130 AromaticContact CE1-CE2 3.77Å; F84-Y130 HydrophobicContact CE1-CE2 3.77Å; F84-Y130 AromaticContact CE1-CG 3.8Å; F84-Y130 HydrophobicContact CE1-CG 3.8Å; F84-Y130 AromaticContact CE1-CZ 3.8Å; L95-Y130 HydrophobicContact CD1-CD2 3.64Å; L95-Y130 HydrophobicContact CD1-CE2 4.47Å; L95-Y130 HydrophobicContact CD1-CG 4.25Å; T96-Y130 CarbonylContact O-C 3.58Å; T96-Y130 VanDerWaalsContact O-CA 3.24Å; T96-Y130 WeakPolarHBondContact O-CA 3.37Å; T96-Y130 VanDerWaalsContact O-CB 3.31Å; T96-Y130 WeakPolarHBondContact O-CB 3.14Å; Y130-F132 HydrophobicContact CD2-CE2 4.13Å; Y130-F132 HydrophobicContact CD2-CZ 4.14Å; Y130-F132 AromaticContact CE2-CE2 3.65Å; Y130-F132 HydrophobicContact CE2-CE2 3.65Å; Y130-F132 AromaticContact CE2-CZ 3.65Å; Y130-F132 HydrophobicContact CE2-CZ 3.65Å; Y130-N156 HydrophobicContact CD1-CB 3.96Å; Y130-N156 HydrophobicContact CD2-CB 4.04Å; Y130-N156 HydrophobicContact CE1-CB 3.53Å; Y130-N156 HydrophobicContact CE2-CB 3.63Å; Y130-N156 HydrophobicContact CG-CB 4.19Å; Y130-N156 PolarHBondContact N-O 3.27Å; Y130-N156 PolarHBondContact O-N 3.03Å; Y130-L158 HydrophobicContact CD1-CB 4.48Å; Y130-L158 HydrophobicContact CE1-CB 4.13Å
131	K	94.5	Very high	89.3	Confident	9 Å²	9	36.9 Å²	36.9	4%	0.039	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	162.4	173.6	-73.7	-171.6	149.4	140.2	0	110.5	T96 W102 W138 I140 D153 E154 N155	T96-K131 HydrophobicContact CG2-CB 4.4Å; T96-K131 PolarHBondContact N-O 3.2Å; T96-K131 PolarHBondContact O-N 3.31Å; T96-K131 VanDerWaalsContact O-O 3.05Å; W102-K131 HydrophobicContact CH2-CG 4.19Å; W102-K131 HydrophobicContact CZ3-CB 3.97Å; W102-K131 HydrophobicContact CZ3-CD 4.44Å; W102-K131 HydrophobicContact CZ3-CG 4Å; K131-W138 HydrophobicContact CB-CE3 3.98Å; K131-W138 HydrophobicContact CB-CZ3 4.27Å; K131-W138 HydrophobicContact CD-CE3 3.73Å; K131-W138 HydrophobicContact CD-CZ3 4.27Å; K131-W138 HydrophobicContact CG-CE3 4.46Å; K131-I140 HydrophobicContact CD-CG2 4.44Å; K131-I140 HydrophobicContact CG-CG2 4.03Å; K131-D153 IonicContact NZ-OD1 2.63Å; K131-D153 PolarHBondContact NZ-OD1 3.46Å; K131-D153 IonicContact NZ-OD2 2.65Å; K131-D153 PolarHBondContact NZ-OD2 2.99Å; K131-E154 WeakPolarHBondContact CE-O 3.4Å; K131-E154 PolarHBondContact NZ-O 2.77Å; K131-N155 VanDerWaalsContact CD-OD1 3.26Å; K131-N155 WeakPolarHBondContact CD-OD1 3.3Å; K131-N155 WeakPolarHBondContact CE-OD1 3.48Å; K131-N155 WeakPolarHBondContact CG-OD1 3.41Å; K131-N155 PolarHBondContact NZ-OD1 2.86Å
132	F	95.5	Very high	89.5	Confident	1 Å²	1	43 Å²	43	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	147.5	169.7	-57.2	-82.7	0	0	0	110.2	W86 Y94 L95 M108 Y130 V134 W138 T139 D141	W86-F132 HydrophobicContact CB-CD1 4.33Å; W86-F132 HydrophobicContact CB-CE1 4.28Å; W86-F132 HydrophobicContact CD2-CG 4.29Å; W86-F132 HydrophobicContact CE3-CB 4.04Å; W86-F132 HydrophobicContact CE3-CD1 4.14Å; W86-F132 AromaticContact CE3-CD2 3.42Å; W86-F132 HydrophobicContact CE3-CD2 3.42Å; W86-F132 VanDerWaalsContact CE3-CD2 3.42Å; W86-F132 HydrophobicContact CE3-CE1 4.48Å; W86-F132 AromaticContact CE3-CE2 3.81Å; W86-F132 HydrophobicContact CE3-CE2 3.81Å; W86-F132 AromaticContact CE3-CG 3.58Å; W86-F132 HydrophobicContact CE3-CG 3.58Å; W86-F132 HydrophobicContact CE3-CZ 4.32Å; W86-F132 HydrophobicContact CZ3-CB 4.24Å; W86-F132 AromaticContact CZ3-CD2 3.62Å; W86-F132 HydrophobicContact CZ3-CD2 3.62Å; W86-F132 HydrophobicContact CZ3-CE2 4.22Å; W86-F132 HydrophobicContact CZ3-CG 4.05Å; Y94-F132 CarbonylContact O-C 3.49Å; Y94-F132 WeakPolarHBondContact O-CA 3.27Å; L95-F132 HydrophobicContact CD1-CD1 4.27Å; L95-F132 HydrophobicContact CD1-CE1 3.91Å; L95-F132 HydrophobicContact CD1-CZ 4.43Å; M108-F132 HydrophobicContact CE-CD1 4.32Å; M108-F132 HydrophobicContact CE-CE1 3.75Å; M108-F132 HydrophobicContact SD-CD1 3.49Å; M108-F132 WeakPolarHBondContact SD-CD1 3.27Å; M108-F132 HydrophobicContact SD-CE1 3.46Å; M108-F132 WeakPolarHBondContact SD-CE1 3.31Å; Y130-F132 HydrophobicContact CD2-CE2 4.13Å; Y130-F132 HydrophobicContact CD2-CZ 4.14Å; Y130-F132 AromaticContact CE2-CE2 3.65Å; Y130-F132 HydrophobicContact CE2-CE2 3.65Å; Y130-F132 AromaticContact CE2-CZ 3.65Å; Y130-F132 HydrophobicContact CE2-CZ 3.65Å; F132-V134 HydrophobicContact CB-CG2 4.17Å; F132-W138 WeakPolarHBondContact O-CA 3.44Å; F132-T139 PolarHBondContact N-O 3.48Å; F132-T139 PolarHBondContact O-N 3.15Å; F132-T139 VanDerWaalsContact O-O 3.12Å; F132-D141 HydrophobicContact CE2-CB 3.99Å
133	I	94.5	Very high	89.7	Confident	12 Å²	12	43 Å²	43	6%	0.062	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	105.5	167.3	-56.6	169.3	0	0	0	106.5	M49 V93 Y94 T96 K105 V137 W138	M49-I133 HydrophobicContact SD-CD1 3.68Å; V93-I133 WeakPolarHBondContact CA-O 3.28Å; Y94-I133 PolarHBondContact N-O 2.86Å; Y94-I133 PolarHBondContact O-N 3.22Å; T96-I133 HydrophobicContact CG2-CD1 4.06Å; T96-I133 HydrophobicContact CG2-CG1 4.23Å; K105-I133 HydrophobicContact CB-CD1 4.23Å; K105-I133 HydrophobicContact CD-CD1 4.07Å; I133-V137 CarbonylContact C-O 3.52Å; I133-V137 WeakPolarHBondContact CA-O 3.41Å; I133-W138 HydrophobicContact CD1-CD2 4.43Å; I133-W138 HydrophobicContact CD1-CH2 4.35Å; I133-W138 HydrophobicContact CD1-CZ2 4.03Å; I133-W138 HydrophobicContact CG1-CD2 4.09Å; I133-W138 HydrophobicContact CG1-CE3 4.3Å; I133-W138 HydrophobicContact CG1-CG 4.47Å
134	V	95.9	Very high	89.9	Confident	18 Å²	18	46.6 Å²	46.6	11%	0.109	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	116.1	-177.4	-176.4	0	0	0	0	108.2	W86 R92 V93 F132 S136 V137	W86-V134 HydrophobicContact CD2-CG2 4.15Å; W86-V134 HydrophobicContact CH2-CG2 4.39Å; W86-V134 HydrophobicContact CZ2-CG2 3.68Å; R92-V134 WeakPolarHBondContact O-CA 3.35Å; V93-V134 HydrophobicContact CG1-CG2 4.25Å; V93-V134 HydrophobicContact CG2-CG1 4.32Å; V93-V134 HydrophobicContact CG2-CG2 4.4Å; F132-V134 HydrophobicContact CB-CG2 4.17Å; V134-S136 PolarHBondContact O-N 3.27Å; V134-S136 VanDerWaalsContact O-N 3.13Å; V134-V137 PolarHBondContact N-O 3.39Å; V134-V137 WeakPolarHBondContact O-CB 3.26Å; V134-V137 PolarHBondContact O-N 3.21Å
135	D	93.8	Very high	90.3	Very high	66 Å²	66	50.6 Å²	50.6	35%	0.353	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	36.9	-177.6	-65.3	-32.8	0	0	0	113.8	K91 R92 V137	K91-D135 WeakPolarHBondContact CA-OD1 3.4Å; K91-D135 VanDerWaalsContact CB-OD1 3.29Å; K91-D135 WeakPolarHBondContact CB-OD1 3.41Å; K91-D135 PolarHBondContact N-OD1 3.49Å; K91-D135 PolarHBondContact N-OD2 3.21Å; R92-D135 PolarHBondContact N-OD1 3.02Å; R92-D135 PolarHBondContact O-N 3.42Å; D135-V137 VanDerWaalsContact C-N 3.33Å
136	S	90.5	Very high	90.7	Very high	85 Å²	85	54.6 Å²	54.6	59%	0.594	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	10.8	-177.9	-22.2	0	0	0	0	115.1	V134	V134-S136 PolarHBondContact O-N 3.27Å; V134-S136 VanDerWaalsContact O-N 3.13Å
137	V	93	Very high	90.7	Very high	88 Å²	88	54.8 Å²	54.8	53%	0.533	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.4	174.4	-175.6	0	0	0	0	109.4	I133 V134 D135 T139	I133-V137 CarbonylContact C-O 3.52Å; I133-V137 WeakPolarHBondContact CA-O 3.41Å; V134-V137 PolarHBondContact N-O 3.39Å; V134-V137 WeakPolarHBondContact O-CB 3.26Å; V134-V137 PolarHBondContact O-N 3.21Å; D135-V137 VanDerWaalsContact C-N 3.33Å; V137-T139 PolarHBondContact O-N 2.92Å
138	W	91.9	Very high	90.5	Very high	125 Å²	125	56.4 Å²	56.4	47%	0.473	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.1	171.8	-71	77.7	0	0	0	109.4	M49 T96 W102 K131 F132 I133	M49-W138 HydrophobicContact CE-CH2 4.14Å; M49-W138 HydrophobicContact CE-CZ2 4.5Å; M49-W138 HydrophobicContact SD-CH2 3.86Å; M49-W138 HydrophobicContact SD-CZ2 3.68Å; T96-W138 HydrophobicContact CG2-CE3 4.26Å; T96-W138 HydrophobicContact CG2-CH2 3.84Å; T96-W138 HydrophobicContact CG2-CZ3 3.49Å; T96-W138 VanDerWaalsContact CG2-CZ3 3.49Å; W102-W138 HydrophobicContact CE3-CH2 4.36Å; W102-W138 AromaticContact CE3-CZ3 3.91Å; W102-W138 HydrophobicContact CE3-CZ3 3.91Å; W102-W138 HydrophobicContact CZ3-CZ3 4.13Å; K131-W138 HydrophobicContact CB-CE3 3.98Å; K131-W138 HydrophobicContact CB-CZ3 4.27Å; K131-W138 HydrophobicContact CD-CE3 3.73Å; K131-W138 HydrophobicContact CD-CZ3 4.27Å; K131-W138 HydrophobicContact CG-CE3 4.46Å; F132-W138 WeakPolarHBondContact O-CA 3.44Å; I133-W138 HydrophobicContact CD1-CD2 4.43Å; I133-W138 HydrophobicContact CD1-CH2 4.35Å; I133-W138 HydrophobicContact CD1-CZ2 4.03Å; I133-W138 HydrophobicContact CG1-CD2 4.09Å; I133-W138 HydrophobicContact CG1-CE3 4.3Å; I133-W138 HydrophobicContact CG1-CG 4.47Å
139	T	93.3	Very high	89.5	Confident	41 Å²	41	57.5 Å²	57.5	25%	0.252	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.8	-174	-55.9	0	0	0	0	110.3	W86 F132 V137	W86-T139 HydrophobicContact CH2-CG2 3.52Å; W86-T139 HydrophobicContact CZ2-CG2 4.25Å; W86-T139 HydrophobicContact CZ3-CG2 4.32Å; F132-T139 PolarHBondContact N-O 3.48Å; F132-T139 PolarHBondContact O-N 3.15Å; F132-T139 VanDerWaalsContact O-O 3.12Å; V137-T139 PolarHBondContact O-N 2.92Å
140	I	93.3	Very high	88	Confident	13 Å²	13	64.8 Å²	64.8	7%	0.067	34%	0.336	C	S	.	.			trans	-115.3	153.9	173.9	58.4	166.1	0	0	0	110.4	K131 H142 K146 E154 N156	K131-I140 HydrophobicContact CD-CG2 4.44Å; K131-I140 HydrophobicContact CG-CG2 4.03Å; I140-H142 PolarHBondContact O-N 2.74Å; I140-K146 HydrophobicContact CD1-CD 4.18Å; I140-E154 HydrophobicContact CD1-CB 3.76Å; I140-E154 WeakPolarHBondContact CD1-OE2 3.37Å; I140-E154 VanDerWaalsContact CG2-O 3.32Å; I140-E154 WeakPolarHBondContact CG2-O 3.49Å; I140-N156 WeakPolarHBondContact CA-OD1 3.48Å; I140-N156 WeakPolarHBondContact CB-OD1 3.38Å
141	D	91.8	Very high	86.8	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.005	37%	0.367	C	S	.	.			trans	-82.2	107.8	167	-173.8	-6.8	0	0	0	108.9	W86 H88 F132 T143 K144 N156	W86-D141 HydrophobicContact CE3-CB 4.37Å; W86-D141 HydrophobicContact CZ3-CB 4.06Å; H88-D141 IonicContact CE1-OD1 3.96Å; H88-D141 IonicContact NE2-OD1 3.03Å; H88-D141 PolarHBondContact NE2-OD1 2.8Å; H88-D141 VanDerWaalsContact NE2-OD1 3.09Å; F132-D141 HydrophobicContact CE2-CB 3.99Å; D141-T143 PolarHBondContact O-N 3.11Å; D141-T143 VanDerWaalsContact O-N 3.13Å; D141-T143 WeakPolarHBondContact OD1-CB 3.35Å; D141-T143 PolarHBondContact OD1-N 2.82Å; D141-T143 PolarHBondContact OD1-OG1 3.49Å; D141-T143 PolarHBondContact OD2-OG1 3.25Å; D141-K144 HydrophobicContact CB-CB 4.3Å; D141-K144 HydrophobicContact CB-CG 3.73Å; D141-K144 PolarHBondContact O-N 3.23Å; D141-K144 VanDerWaalsContact O-N 3.08Å; D141-K144 WeakPolarHBondContact OD2-CE 3.38Å; D141-K144 VanDerWaalsContact OD2-CG 3.32Å; D141-K144 WeakPolarHBondContact OD2-CG 3.26Å; D141-N156 PolarHBondContact N-OD1 3.04Å; D141-N156 PolarHBondContact O-ND2 3.22Å
142	H	90	Very high	85.6	Confident	137 Å²	137	73.1 Å²	73.1	63%	0.634	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-12	179.7	-62.3	-62.2	0	0	0	113.9	I140	I140-H142 PolarHBondContact O-N 2.74Å
143	T	88.7	Confident	84.8	Confident	103 Å²	103	77.4 Å²	77.4	63%	0.632	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-9.3	175.7	72.6	0	0	0	0	113.1	D141	D141-T143 PolarHBondContact O-N 3.11Å; D141-T143 VanDerWaalsContact O-N 3.13Å; D141-T143 WeakPolarHBondContact OD1-CB 3.35Å; D141-T143 PolarHBondContact OD1-N 2.82Å; D141-T143 PolarHBondContact OD1-OG1 3.49Å; D141-T143 PolarHBondContact OD2-OG1 3.25Å
144	K	88.6	Confident	84.5	Confident	79 Å²	79	79.7 Å²	79.7	34%	0.343	43%	0.428	S	S	.	.	S	Bend	trans	-101.4	157.4	-179.7	-57.3	-64.4	-178.6	-177	0	110.9	D141	D141-K144 HydrophobicContact CB-CB 4.3Å; D141-K144 HydrophobicContact CB-CG 3.73Å; D141-K144 PolarHBondContact O-N 3.23Å; D141-K144 VanDerWaalsContact O-N 3.08Å; D141-K144 WeakPolarHBondContact OD2-CE 3.38Å; D141-K144 VanDerWaalsContact OD2-CG 3.32Å; D141-K144 WeakPolarHBondContact OD2-CG 3.26Å
145	P	87.8	Confident	84.2	Confident	87 Å²	87	79 Å²	79	57%	0.565	42%	0.423	S	S	*	.			trans	-52.3	146.5	171	-26.5	36.3	0	0	0	111.6	N156 I157	P145-N156 WeakPolarHBondContact O-CA 3.2Å; P145-N156 PolarHBondContact O-ND2 3.38Å; P145-I157 HydrophobicContact CB-CG2 3.54Å; P145-I157 PolarHBondContact O-N 3.03Å
146	K	86.3	Confident	84.2	Confident	98 Å²	98	75.8 Å²	75.8	43%	0.426	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	156.8	-178.8	55.3	177.1	174.3	161.7	0	112.9	I140 E154 N155	I140-K146 HydrophobicContact CD1-CD 4.18Å; K146-E154 WeakPolarHBondContact CE-OE1 3.21Å; K146-E154 IonicContact NZ-OE1 2.71Å; K146-E154 PolarHBondContact NZ-OE1 2.98Å; K146-E154 IonicContact NZ-OE2 2.88Å; K146-E154 PolarHBondContact NZ-OE2 2.95Å; K146-N155 CarbonylContact C-O 3.21Å; K146-N155 WeakPolarHBondContact CA-O 3.45Å; K146-N155 WeakPolarHBondContact CB-O 3.37Å
147	C	80.8	Confident	84.2	Confident	29 Å²	29	73.7 Å²	73.7	20%	0.196	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	155	174	59	0	0	0	0	110.4	E154 N155 I157	C147-E154 WeakPolarHBondContact O-CA 3.23Å; C147-N155 PolarHBondContact N-O 2.69Å; C147-N155 PolarHBondContact O-N 2.74Å; C147-I157 HydrophobicContact CB-CD1 4.45Å
148	N	80.3	Confident	83.8	Confident	121 Å²	121	71.3 Å²	71.3	65%	0.647	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.9	172.9	-71.2	-11.4	0	0	0	109.6
149	N	65.4	Low	83.3	Confident	37 Å²	37	70.4 Å²	70.4	20%	0.198	37%	0.373	C	S	.	.			trans	-79.8	169.3	174.6	-71.1	15.5	0	0	0	111.6	E129 I151 G152 D153 N155	E129-N149 PolarHBondContact OE2-OD1 3.22Å; N149-I151 PolarHBondContact O-N 2.95Å; N149-I151 VanDerWaalsContact O-N 3.11Å; N149-G152 PolarHBondContact O-N 3.31Å; N149-D153 WeakPolarHBondContact CB-O 3.14Å; N149-D153 PolarHBondContact N-O 3.22Å; N149-N155 VanDerWaalsContact ND2-CG 3.27Å; N149-N155 PolarHBondContact ND2-ND2 3.22Å; N149-N155 PolarHBondContact OD1-ND2 3.23Å
150	F	59.1	Low	82.4	Confident	198 Å²	198	70.1 Å²	70.1	87%	0.868	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.9	178.8	62.7	-87.6	0	0	0	114.8
151	I	68.6	Low	81.2	Confident	138 Å²	138	75 Å²	75	71%	0.708	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.6	175.7	-45.7	-179.9	0	0	0	111.5	N149	N149-I151 PolarHBondContact O-N 2.95Å; N149-I151 VanDerWaalsContact O-N 3.11Å
152	G	68.2	Low	79.7	Confident	59 Å²	59	81.4 Å²	81.4	61%	0.608	42%	0.424	S	S	*	.	S	Bend	trans	84.4	11.5	-176.3	0	0	0	0	0	114.8	N149	N149-G152 PolarHBondContact O-N 3.31Å
153	D	79.1	Confident	78.1	Confident	91 Å²	91	81.4 Å²	81.4	49%	0.487	43%	0.426	S	S	.	.			trans	-90.3	150.1	174	-169.3	11.7	0	0	0	111.1	K131 N149	K131-D153 IonicContact NZ-OD1 2.63Å; K131-D153 PolarHBondContact NZ-OD1 3.46Å; K131-D153 IonicContact NZ-OD2 2.65Å; K131-D153 PolarHBondContact NZ-OD2 2.99Å; N149-D153 WeakPolarHBondContact CB-O 3.14Å; N149-D153 PolarHBondContact N-O 3.22Å
154	E	87.6	Confident	76.4	Confident	60 Å²	60	80 Å²	80	28%	0.28	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.3	-177.5	-63.3	-165.7	132.9	0	0	110.8	K131 I140 K146 C147	K131-E154 WeakPolarHBondContact CE-O 3.4Å; K131-E154 PolarHBondContact NZ-O 2.77Å; I140-E154 HydrophobicContact CD1-CB 3.76Å; I140-E154 WeakPolarHBondContact CD1-OE2 3.37Å; I140-E154 VanDerWaalsContact CG2-O 3.32Å; I140-E154 WeakPolarHBondContact CG2-O 3.49Å; K146-E154 WeakPolarHBondContact CE-OE1 3.21Å; K146-E154 IonicContact NZ-OE1 2.71Å; K146-E154 PolarHBondContact NZ-OE1 2.98Å; K146-E154 IonicContact NZ-OE2 2.88Å; K146-E154 PolarHBondContact NZ-OE2 2.95Å; C147-E154 WeakPolarHBondContact O-CA 3.23Å
155	N	90.3	Very high	74.8	Confident	2 Å²	2	82.6 Å²	82.6	1%	0.011	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	150.4	171.1	-87.1	-0	0	0	0	110.5	W102 E129 K131 K146 C147 N149	W102-N155 VanDerWaalsContact CH2-ND2 3.25Å; W102-N155 WeakPolarHBondContact CH2-ND2 3.29Å; W102-N155 WeakPolarHBondContact CZ2-ND2 3.29Å; E129-N155 HydrophobicContact CB-CB 4.32Å; E129-N155 PolarHBondContact OE2-ND2 3.17Å; K131-N155 VanDerWaalsContact CD-OD1 3.26Å; K131-N155 WeakPolarHBondContact CD-OD1 3.3Å; K131-N155 WeakPolarHBondContact CE-OD1 3.48Å; K131-N155 WeakPolarHBondContact CG-OD1 3.41Å; K131-N155 PolarHBondContact NZ-OD1 2.86Å; K146-N155 CarbonylContact C-O 3.21Å; K146-N155 WeakPolarHBondContact CA-O 3.45Å; K146-N155 WeakPolarHBondContact CB-O 3.37Å; C147-N155 PolarHBondContact N-O 2.69Å; C147-N155 PolarHBondContact O-N 2.74Å; N149-N155 VanDerWaalsContact ND2-CG 3.27Å; N149-N155 PolarHBondContact ND2-ND2 3.22Å; N149-N155 PolarHBondContact OD1-ND2 3.23Å
156	N	93.6	Very high	73.1	Confident	0 Å²	0	84.4 Å²	84.4	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	146	164.2	-70	125.8	0	0	0	110.1	E129 Y130 I140 D141 P145	E129-N156 CarbonylContact C-O 3.45Å; E129-N156 VanDerWaalsContact CA-O 3.32Å; E129-N156 WeakPolarHBondContact CA-O 3.33Å; Y130-N156 HydrophobicContact CD1-CB 3.96Å; Y130-N156 HydrophobicContact CD2-CB 4.04Å; Y130-N156 HydrophobicContact CE1-CB 3.53Å; Y130-N156 HydrophobicContact CE2-CB 3.63Å; Y130-N156 HydrophobicContact CG-CB 4.19Å; Y130-N156 PolarHBondContact N-O 3.27Å; Y130-N156 PolarHBondContact O-N 3.03Å; I140-N156 WeakPolarHBondContact CA-OD1 3.48Å; I140-N156 WeakPolarHBondContact CB-OD1 3.38Å; D141-N156 PolarHBondContact N-OD1 3.04Å; D141-N156 PolarHBondContact O-ND2 3.22Å; P145-N156 WeakPolarHBondContact O-CA 3.2Å; P145-N156 PolarHBondContact O-ND2 3.38Å
157	I	89.9	Confident	71.6	Confident	40 Å²	40	88.4 Å²	88.4	21%	0.205	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.3	-176.9	-172.3	-176.9	0	0	0	110.9	H127 H128 P145 C147	H127-I157 WeakPolarHBondContact CE1-CD1 3.4Å; H127-I157 VanDerWaalsContact CE1-CG1 3.49Å; H127-I157 WeakPolarHBondContact CE1-CG1 3.17Å; H127-I157 WeakPolarHBondContact ND1-CD1 3.44Å; H128-I157 WeakPolarHBondContact O-CA 3.32Å; P145-I157 HydrophobicContact CB-CG2 3.54Å; P145-I157 PolarHBondContact O-N 3.03Å; C147-I157 HydrophobicContact CB-CD1 4.45Å
158	L	85.2	Confident	70.2	Confident	39 Å²	39	88.2 Å²	88.2	20%	0.204	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	117.6	173.6	-179.3	70.9	0	0	0	108.3	V82 F84 L123 H128 Y130 F160	V82-L158 HydrophobicContact CG1-CD2 3.68Å; V82-L158 HydrophobicContact CG2-CD2 4.24Å; F84-L158 HydrophobicContact CE1-CD2 4.37Å; F84-L158 HydrophobicContact CZ-CD2 3.9Å; L123-L158 HydrophobicContact CD1-CD2 3.79Å; H128-L158 HydrophobicContact CB-CB 4.35Å; H128-L158 PolarHBondContact N-O 2.72Å; H128-L158 PolarHBondContact O-N 3.26Å; Y130-L158 HydrophobicContact CD1-CB 4.48Å; Y130-L158 HydrophobicContact CE1-CB 4.13Å; L158-F160 HydrophobicContact CD1-CE1 4.17Å; L158-F160 HydrophobicContact CD1-CE2 4.35Å; L158-F160 HydrophobicContact CD1-CZ 3.77Å; L158-F160 HydrophobicContact CD2-CD2 4.5Å; L158-F160 HydrophobicContact CD2-CE2 3.39Å; L158-F160 HydrophobicContact CD2-CZ 3.41Å; L158-F160 VanDerWaalsContact CD2-CZ 3.41Å; L158-F160 HydrophobicContact CG-CD2 4.38Å; L158-F160 HydrophobicContact CG-CE1 4.27Å; L158-F160 HydrophobicContact CG-CE2 3.59Å; L158-F160 HydrophobicContact CG-CZ 3.53Å
159	H	81	Confident	69	Low	106 Å²	106	88 Å²	88	49%	0.491	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.5	179.4	-164.7	80	0	0	0	110.3	D161	H159-D161 IonicContact CD2-OD1 2.93Å; H159-D161 PolarHBondContact CD2-OD1 3.05Å; H159-D161 IonicContact NE2-OD1 3.84Å; H159-D161 PolarHBondContact NE2-OD1 3.21Å
160	F	74.7	Confident	68.5	Low	34 Å²	34	90 Å²	90	15%	0.149	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	105.2	171.9	-62.1	-62.9	0	0	0	108.7	K80 V82 L123 T125 G126 H128 L158 E162	K80-F160 HydrophobicContact CD-CD1 4.2Å; V82-F160 HydrophobicContact CB-CZ 4.46Å; V82-F160 HydrophobicContact CG1-CZ 4.34Å; V82-F160 HydrophobicContact CG2-CE1 4.34Å; V82-F160 HydrophobicContact CG2-CE2 3.79Å; V82-F160 HydrophobicContact CG2-CZ 3.32Å; L123-F160 HydrophobicContact CB-CE2 4.09Å; L123-F160 HydrophobicContact CD1-CE2 4.43Å; T125-F160 HydrophobicContact CG2-CB 4.17Å; G126-F160 PolarHBondContact N-O 3.3Å; G126-F160 PolarHBondContact O-N 2.81Å; H128-F160 AromaticContact CD2-CD2 3.88Å; L158-F160 HydrophobicContact CD1-CE1 4.17Å; L158-F160 HydrophobicContact CD1-CE2 4.35Å; L158-F160 HydrophobicContact CD1-CZ 3.77Å; L158-F160 HydrophobicContact CD2-CD2 4.5Å; L158-F160 HydrophobicContact CD2-CE2 3.39Å; L158-F160 HydrophobicContact CD2-CZ 3.41Å; L158-F160 VanDerWaalsContact CD2-CZ 3.41Å; L158-F160 HydrophobicContact CG-CD2 4.38Å; L158-F160 HydrophobicContact CG-CE1 4.27Å; L158-F160 HydrophobicContact CG-CE2 3.59Å; L158-F160 HydrophobicContact CG-CZ 3.53Å; F160-E162 PolarHBondContact O-N 3.1Å
161	D	68.1	Low	68.1	Low	116 Å²	116	83.2 Å²	83.2	62%	0.62	44%	0.441	S	S	*	.			trans	-58	130.9	170.6	-66.4	-50.3	0	0	0	109.2	H159 M163	H159-D161 IonicContact CD2-OD1 2.93Å; H159-D161 PolarHBondContact CD2-OD1 3.05Å; H159-D161 IonicContact NE2-OD1 3.84Å; H159-D161 PolarHBondContact NE2-OD1 3.21Å; D161-M163 PolarHBondContact O-N 3.3Å; D161-M163 VanDerWaalsContact O-N 3.07Å
162	E	60.2	Low	67.4	Low	135 Å²	135	82.2 Å²	82.2	63%	0.631	44%	0.436	S	S	*	.			trans	-56.1	116.3	155.8	-79.5	-173.8	172.1	0	0	105.5	F160 T164	F160-E162 PolarHBondContact O-N 3.1Å; E162-T164 PolarHBondContact O-N 3.21Å
163	M	56.4	Low	66.7	Low	137 Å²	137	84.1 Å²	84.1	68%	0.675	44%	0.436	S	S	*	.			trans	-64	92.1	-178.6	-156.3	176.1	85.5	0	0	106.8	D161 L165	D161-M163 PolarHBondContact O-N 3.3Å; D161-M163 VanDerWaalsContact O-N 3.07Å; M163-L165 PolarHBondContact O-N 3.1Å
164	T	52.7	Low	65.4	Low	73 Å²	73	86.9 Å²	86.9	45%	0.448	44%	0.444	S	S	.	.			trans	-57.7	118.4	-176.2	48.4	0	0	0	0	106.6	E162 L166 W167	E162-T164 PolarHBondContact O-N 3.21Å; T164-L166 PolarHBondContact O-N 3.4Å; T164-W167 PolarHBondContact O-N 3.25Å
165	L	54.9	Low	63.6	Low	134 Å²	134	89.5 Å²	89.5	70%	0.702	46%	0.459	S	S	*	.	H	α-helix	trans	-53.2	-11.2	178.9	-88.8	154	0	0	0	113.2	M163 W167 A168 L169	M163-L165 PolarHBondContact O-N 3.1Å; L165-W167 VanDerWaalsContact C-N 3.35Å; L165-A168 HydrophobicContact CD2-CB 4.3Å; L165-A168 PolarHBondContact O-N 3.32Å; L165-L169 WeakPolarHBondContact O-CB 3.44Å; L165-L169 PolarHBondContact O-N 3.25Å
166	L	52.5	Low	61.7	Low	125 Å²	125	95.3 Å²	95.3	65%	0.654	49%	0.486	S	S	*	.	H	α-helix	trans	-57.3	-39.9	166.4	-92.8	136.9	0	0	0	113.5	T164 L170	T164-L166 PolarHBondContact O-N 3.4Å; L166-L170 WeakPolarHBondContact O-CB 3.32Å; L166-L170 WeakPolarHBondContact O-CD1 3.41Å; L166-L170 WeakPolarHBondContact O-CG 2.9Å; L166-L170 PolarHBondContact O-N 3.16Å
167	W	54.5	Low	59.6	Low	183 Å²	183	103.9 Å²	103.9	69%	0.693	53%	0.526	S	S	*	.	H	α-helix	trans	-77.3	-27.1	175.8	-68.2	103.4	0	0	0	112.7	T164 L165 L170 A171	T164-W167 PolarHBondContact O-N 3.25Å; L165-W167 VanDerWaalsContact C-N 3.35Å; W167-L170 HydrophobicContact CE3-CD1 4.26Å; W167-L170 HydrophobicContact CZ3-CD1 4.47Å; W167-A171 WeakPolarHBondContact O-CA 3.33Å; W167-A171 WeakPolarHBondContact O-CB 3.26Å; W167-A171 PolarHBondContact O-N 2.9Å
168	A	52.2	Low	57.5	Low	24 Å²	24	108 Å²	108	20%	0.198	54%	0.544	C	S	.	.	H	α-helix	trans	-74.6	-36.2	173.9	0	0	0	0	0	111.7	L165 A171 L172	L165-A168 HydrophobicContact CD2-CB 4.3Å; L165-A168 PolarHBondContact O-N 3.32Å; A168-A171 PolarHBondContact O-N 3.41Å; A168-L172 WeakPolarHBondContact O-CB 3.46Å; A168-L172 WeakPolarHBondContact O-CD1 3.47Å; A168-L172 VanDerWaalsContact O-CG 3.22Å; A168-L172 WeakPolarHBondContact O-CG 3.35Å; A168-L172 PolarHBondContact O-N 3.37Å
169	L	54.3	Low	55.6	Low	118 Å²	118	109.9 Å²	109.9	62%	0.618	57%	0.565	S	S	*	*	H	α-helix	trans	-67.4	-40.3	170	-84.7	155.6	0	0	0	111.3	L165 T173	L165-L169 WeakPolarHBondContact O-CB 3.44Å; L165-L169 PolarHBondContact O-N 3.25Å; L169-T173 WeakPolarHBondContact O-CG2 2.9Å; L169-T173 PolarHBondContact O-N 2.78Å; L169-T173 PolarHBondContact O-OG1 2.75Å
170	L	54.7	Low	54.3	Low	77 Å²	77	110.1 Å²	110.1	40%	0.403	57%	0.569	S	S	.	*	H	α-helix	trans	-66.2	-40.9	171.4	-76.9	162.7	0	0	0	111.6	L166 W167 T173 F174	L166-L170 WeakPolarHBondContact O-CB 3.32Å; L166-L170 WeakPolarHBondContact O-CD1 3.41Å; L166-L170 WeakPolarHBondContact O-CG 2.9Å; L166-L170 PolarHBondContact O-N 3.16Å; W167-L170 HydrophobicContact CE3-CD1 4.26Å; W167-L170 HydrophobicContact CZ3-CD1 4.47Å; L170-T173 VanDerWaalsContact CA-OG1 3.31Å; L170-T173 WeakPolarHBondContact CA-OG1 3.08Å; L170-T173 CarbonylContact O-C 3.43Å; L170-T173 PolarHBondContact O-N 3.35Å; L170-T173 PolarHBondContact O-OG1 2.72Å; L170-F174 WeakPolarHBondContact O-CB 3.24Å; L170-F174 VanDerWaalsContact O-CD2 3.26Å; L170-F174 WeakPolarHBondContact O-CD2 3.33Å; L170-F174 PolarHBondContact O-N 2.75Å
171	A	52.6	Low	53.4	Low	57 Å²	57	109.4 Å²	109.4	47%	0.471	57%	0.569	S	S	.	*	H	α-helix	trans	-70.1	-33	177.5	0	0	0	0	0	112.7	W167 A168 T173 F174 I175	W167-A171 WeakPolarHBondContact O-CA 3.33Å; W167-A171 WeakPolarHBondContact O-CB 3.26Å; W167-A171 PolarHBondContact O-N 2.9Å; A168-A171 PolarHBondContact O-N 3.41Å; A171-T173 VanDerWaalsContact C-N 3.34Å; A171-F174 CarbonylContact O-C 3.58Å; A171-F174 WeakPolarHBondContact O-CA 3.47Å; A171-F174 PolarHBondContact O-N 2.79Å; A171-F174 VanDerWaalsContact O-N 3.08Å; A171-I175 PolarHBondContact O-N 3.5Å
172	L	52.1	Low	53.4	Low	116 Å²	116	108.1 Å²	108.1	61%	0.607	57%	0.565	S	S	*	*	H	α-helix	trans	-72.5	-28	171.6	-79.3	159.3	0	0	0	111.5	A168 F174 I175	A168-L172 WeakPolarHBondContact O-CB 3.46Å; A168-L172 WeakPolarHBondContact O-CD1 3.47Å; A168-L172 VanDerWaalsContact O-CG 3.22Å; A168-L172 WeakPolarHBondContact O-CG 3.35Å; A168-L172 PolarHBondContact O-N 3.37Å; L172-F174 VanDerWaalsContact C-N 3.34Å; L172-I175 HydrophobicContact CD2-CD1 4.03Å
173	T	54	Low	54.7	Low	99 Å²	99	104.9 Å²	104.9	61%	0.607	55%	0.553	S	S	*	*	H	α-helix	trans	-78.8	-16.3	164	57.8	0	0	0	0	113.5	L169 L170 A171	L169-T173 WeakPolarHBondContact O-CG2 2.9Å; L169-T173 PolarHBondContact O-N 2.78Å; L169-T173 PolarHBondContact O-OG1 2.75Å; L170-T173 VanDerWaalsContact CA-OG1 3.31Å; L170-T173 WeakPolarHBondContact CA-OG1 3.08Å; L170-T173 CarbonylContact O-C 3.43Å; L170-T173 PolarHBondContact O-N 3.35Å; L170-T173 PolarHBondContact O-OG1 2.72Å; A171-T173 VanDerWaalsContact C-N 3.34Å
174	F	52.3	Low	56.4	Low	150 Å²	150	98.4 Å²	98.4	66%	0.658	52%	0.521	S	S	*	.	S	Bend	trans	-97.9	3	173.9	-93.6	-78.2	0	0	0	113.8	L170 A171 L172 Q176	L170-F174 WeakPolarHBondContact O-CB 3.24Å; L170-F174 VanDerWaalsContact O-CD2 3.26Å; L170-F174 WeakPolarHBondContact O-CD2 3.33Å; L170-F174 PolarHBondContact O-N 2.75Å; A171-F174 CarbonylContact O-C 3.58Å; A171-F174 WeakPolarHBondContact O-CA 3.47Å; A171-F174 PolarHBondContact O-N 2.79Å; A171-F174 VanDerWaalsContact O-N 3.08Å; L172-F174 VanDerWaalsContact C-N 3.34Å; F174-Q176 PolarHBondContact O-N 2.86Å
175	I	49.2	Very low	58.5	Low	115 Å²	115	95.6 Å²	95.6	59%	0.59	50%	0.502	S	S	*	.	S	Bend	trans	-68.1	73.6	142.6	-51.6	177.1	0	0	0	104.1	A171 L172 Q177	A171-I175 PolarHBondContact O-N 3.5Å; L172-I175 HydrophobicContact CD2-CD1 4.03Å; I175-Q177 PolarHBondContact O-N 3.01Å
176	Q	51	Low	60.6	Low	124 Å²	124	89.2 Å²	89.2	58%	0.579	47%	0.469	S	S	*	.			trans	-54.2	105.5	154.6	-69.7	-148.1	-27.3	0	0	102.8	F174 H178	F174-Q176 PolarHBondContact O-N 2.86Å; Q176-H178 PolarHBondContact O-N 2.82Å; Q176-H178 PolarHBondContact O-ND1 2.82Å; Q176-H178 VanDerWaalsContact O-ND1 3.12Å
177	Q	48.5	Very low	62.7	Low	179 Å²	179	83.3 Å²	83.3	84%	0.836	44%	0.438	S	S	*	.			trans	-45.1	91.8	138.7	-68.7	176.9	-2.2	0	0	103.1	I175 A179	I175-Q177 PolarHBondContact O-N 3.01Å; Q177-A179 PolarHBondContact O-N 3.06Å
178	H	46.8	Very low	64.6	Low	128 Å²	128	75.5 Å²	75.5	59%	0.593	41%	0.409	S	S	*	.			trans	-53.6	105	153.9	-69.6	68.2	0	0	0	99.5	Q176 I180	Q176-H178 PolarHBondContact O-N 2.82Å; Q176-H178 PolarHBondContact O-ND1 2.82Å; Q176-H178 VanDerWaalsContact O-ND1 3.12Å; H178-I180 PolarHBondContact O-N 3.18Å
179	A	45.9	Very low	66.7	Low	78 Å²	78	75 Å²	75	65%	0.645	40%	0.403	S	S	*	.			trans	-56	97	164.8	0	0	0	0	0	101.6	Q177 A181	Q177-A179 PolarHBondContact O-N 3.06Å; A179-A181 PolarHBondContact O-N 2.9Å
180	I	52.1	Low	68.5	Low	111 Å²	111	73.1 Å²	73.1	57%	0.569	41%	0.405	S	S	*	.			trans	-54.5	118	173.9	-63.4	174.3	0	0	0	101.2	H178 T182	H178-I180 PolarHBondContact O-N 3.18Å; I180-T182 HydrophobicContact CB-CG2 4.5Å; I180-T182 HydrophobicContact CG2-CG2 4.47Å; I180-T182 WeakPolarHBondContact O-CG2 3.17Å; I180-T182 PolarHBondContact O-N 3.49Å
181	A	56.9	Low	70.3	Confident	18 Å²	18	72.7 Å²	72.7	15%	0.149	40%	0.403	C	S	.	.			trans	-55.9	101.9	171.9	0	0	0	0	0	105.4	A179 N183 I187 P254	A179-A181 PolarHBondContact O-N 2.9Å; A181-N183 VanDerWaalsContact C-N 3.29Å; A181-I187 HydrophobicContact CB-CD1 3.99Å; A181-P254 HydrophobicContact CB-CG 4.42Å; A181-P254 VanDerWaalsContact O-CG 3.23Å; A181-P254 WeakPolarHBondContact O-CG 3.22Å
182	T	67.6	Low	72.1	Confident	89 Å²	89	72.1 Å²	72.1	55%	0.546	39%	0.391	S	S	.	.			trans	-90	-10.6	178.5	53.7	0	0	0	0	110.6	I180	I180-T182 HydrophobicContact CB-CG2 4.5Å; I180-T182 HydrophobicContact CG2-CG2 4.47Å; I180-T182 WeakPolarHBondContact O-CG2 3.17Å; I180-T182 PolarHBondContact O-N 3.49Å
183	N	86.8	Confident	74.1	Confident	68 Å²	68	69.8 Å²	69.8	36%	0.364	38%	0.382	S	S	.	.	S	Bend	trans	-99.7	146.8	-174.5	-62.8	-25.3	0	0	0	110.2	A181 Y185 A300	A181-N183 VanDerWaalsContact C-N 3.29Å; N183-Y185 VanDerWaalsContact C-N 3.32Å; N183-Y185 HydrophobicContact CB-CD2 3.63Å; N183-Y185 HydrophobicContact CB-CE2 3.87Å; N183-Y185 PolarHBondContact O-N 3.02Å; N183-Y185 VanDerWaalsContact O-N 3.1Å; N183-A300 HydrophobicContact CB-CB 3.89Å
184	Y	93.9	Very high	76.1	Confident	1 Å²	1	67.7 Å²	67.7	0%	0.004	37%	0.367	C	S	.	.			trans	-87	75.7	177.2	-67.3	-81.8	0	0	0	109.7	P254 D266 T270 M295 K297 A301 M302	Y184-P254 HydrophobicContact CE1-CB 4.15Å; Y184-D266 PolarHBondContact OH-OD2 3.48Å; Y184-T270 HydrophobicContact CD1-CG2 4.42Å; Y184-T270 HydrophobicContact CD2-CG2 3.9Å; Y184-T270 HydrophobicContact CE1-CG2 3.89Å; Y184-T270 HydrophobicContact CE2-CG2 3.33Å; Y184-T270 VanDerWaalsContact CE2-OG1 3.27Å; Y184-T270 WeakPolarHBondContact CE2-OG1 3.2Å; Y184-T270 HydrophobicContact CG-CG2 4.41Å; Y184-T270 PolarHBondContact OH-OG1 2.69Å; Y184-M295 HydrophobicContact CD1-CB 3.48Å; Y184-M295 VanDerWaalsContact CD1-CB 3.48Å; Y184-M295 HydrophobicContact CD1-CE 3.86Å; Y184-M295 HydrophobicContact CD1-CG 4.16Å; Y184-M295 HydrophobicContact CD1-SD 3.7Å; Y184-M295 HydrophobicContact CE1-CB 4.13Å; Y184-M295 HydrophobicContact CE1-CE 4.26Å; Y184-M295 HydrophobicContact CE1-CG 4.46Å; Y184-M295 HydrophobicContact CE1-SD 3.66Å; Y184-M295 HydrophobicContact CG-CB 3.88Å; Y184-K297 HydrophobicContact CD2-CB 3.63Å; Y184-K297 HydrophobicContact CE2-CB 3.79Å; Y184-K297 HydrophobicContact CE2-CD 4.1Å; Y184-A301 CarbonylContact O-C 3.46Å; Y184-A301 PolarHBondContact O-N 2.97Å; Y184-M302 WeakPolarHBondContact O-CB 3.26Å; Y184-M302 PolarHBondContact O-N 2.93Å; Y184-M302 VanDerWaalsContact O-N 3.1Å
185	Y	96.7	Very high	78.1	Confident	14 Å²	14	60.7 Å²	60.7	6%	0.055	34%	0.337	C	S	.	.	S	Bend	trans	-125.3	162.3	174.4	-67.2	-50.6	0	0	0	111.1	N183 D299 A300 A301 M302 K392 F394	N183-Y185 VanDerWaalsContact C-N 3.32Å; N183-Y185 HydrophobicContact CB-CD2 3.63Å; N183-Y185 HydrophobicContact CB-CE2 3.87Å; N183-Y185 PolarHBondContact O-N 3.02Å; N183-Y185 VanDerWaalsContact O-N 3.1Å; Y185-D299 PolarHBondContact OH-O 2.81Å; Y185-A300 HydrophobicContact CD1-CB 4.33Å; Y185-A300 HydrophobicContact CD2-CB 4.26Å; Y185-A300 HydrophobicContact CE1-CB 3.8Å; Y185-A300 HydrophobicContact CE2-CB 3.73Å; Y185-A300 VanDerWaalsContact CZ-CA 3.47Å; Y185-A300 VanDerWaalsContact CZ-CB 3.47Å; Y185-A300 WeakPolarHBondContact OH-CA 3.19Å; Y185-A301 WeakPolarHBondContact CD1-O 3.4Å; Y185-M302 WeakPolarHBondContact O-CE 3.29Å; Y185-K392 HydrophobicContact CE1-CD 4.42Å; Y185-K392 HydrophobicContact CE1-CG 4.2Å; Y185-K392 WeakPolarHBondContact OH-CE 3.44Å; Y185-F394 AromaticContact CD1-CZ 3.89Å; Y185-F394 HydrophobicContact CD1-CZ 3.89Å; Y185-F394 HydrophobicContact CD2-CE1 4.1Å; Y185-F394 AromaticContact CD2-CZ 3.57Å; Y185-F394 HydrophobicContact CD2-CZ 3.57Å; Y185-F394 HydrophobicContact CE1-CZ 4.05Å; Y185-F394 AromaticContact CE2-CE1 3.92Å; Y185-F394 HydrophobicContact CE2-CE1 3.92Å; Y185-F394 AromaticContact CE2-CZ 3.75Å; Y185-F394 HydrophobicContact CE2-CZ 3.75Å; Y185-F394 HydrophobicContact CG-CE2 4.42Å; Y185-F394 AromaticContact CG-CZ 3.65Å; Y185-F394 HydrophobicContact CG-CZ 3.65Å; Y185-F394 AromaticContact CZ-CZ 3.98Å
186	C	97.8	Very high	80.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.3	169.3	-53.5	0	0	0	0	109.4	V195 F198 C333 L334 S335	C186-V195 HydrophobicContact CB-CG2 3.99Å; C186-V195 WeakPolarHBondContact O-CG2 3.36Å; C186-V195 PolarHBondContact O-N 2.82Å; C186-F198 HydrophobicContact CB-CD1 3.75Å; C186-F198 HydrophobicContact CB-CE1 3.69Å; C186-C333 VanDerWaalsContact CA-SG 3.56Å; C186-C333 HydrophobicContact CB-CB 3.92Å; C186-C333 WeakPolarHBondContact CB-SG 3.43Å; C186-C333 WeakPolarHBondContact SG-CB 3.26Å; C186-C333 CovalentContact SG-SG 2.03Å; C186-C333 PolarHBondContact SG-SG 3.23Å; C186-L334 PolarHBondContact SG-N 3.49Å; C186-S335 WeakPolarHBondContact CB-OG 3.28Å; C186-S335 PolarHBondContact N-OG 3.39Å; C186-S335 PolarHBondContact SG-N 2.84Å; C186-S335 VanDerWaalsContact SG-N 3.38Å
187	I	96.1	Very high	82.7	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	148.1	-175.8	-53.3	-59.6	0	0	0	110.3	A181 D191 D194 M247 R250 T251	A181-I187 HydrophobicContact CB-CD1 3.99Å; I187-D191 WeakPolarHBondContact CG2-O 3.32Å; I187-D194 WeakPolarHBondContact CD1-OD1 3.36Å; I187-M247 WeakPolarHBondContact O-CB 3.26Å; I187-R250 HydrophobicContact CB-CB 3.87Å; I187-R250 HydrophobicContact CG1-CB 4.47Å; I187-R250 HydrophobicContact CG2-CB 3.67Å; I187-R250 HydrophobicContact CG2-CG 4.46Å; I187-T251 PolarHBondContact N-OG1 2.68Å
188	N	95.8	Very high	85.1	Confident	19 Å²	19	41 Å²	41	10%	0.102	24%	0.242	C	C	.	.			trans	-63.2	162.4	179.1	-167.9	16.8	0	0	0	112.7	D191 T193 V195	N188-D191 WeakPolarHBondContact CB-OD1 3.31Å; N188-D191 PolarHBondContact ND2-OD1 2.94Å; N188-T193 WeakPolarHBondContact CB-O 3.4Å; N188-T193 WeakPolarHBondContact CB-OG1 3.23Å; N188-T193 PolarHBondContact N-O 3.26Å; N188-V195 HydrophobicContact CB-CG1 3.85Å
189	Q	95	Very high	87.5	Confident	13 Å²	13	34.9 Å²	34.9	6%	0.061	21%	0.214	C	C	.	.	S	Bend	trans	-74.2	-38.2	175.7	178	65.9	14.7	0	0	112.7	Y225 S237 M247	Q189-Y225 HydrophobicContact CB-CD2 4.47Å; Q189-Y225 HydrophobicContact CB-CE1 4.27Å; Q189-Y225 HydrophobicContact CB-CE2 3.85Å; Q189-Y225 HydrophobicContact CG-CD1 4.45Å; Q189-Y225 HydrophobicContact CG-CE1 3.75Å; Q189-Y225 HydrophobicContact CG-CE2 4.25Å; Q189-S237 PolarHBondContact NE2-OG 3.33Å; Q189-M247 HydrophobicContact CB-CB 4.22Å; Q189-M247 HydrophobicContact CB-CE 4.13Å; Q189-M247 HydrophobicContact CB-SD 4.48Å
190	A	92.4	Very high	90.1	Very high	79 Å²	79	31.2 Å²	31.2	65%	0.653	18%	0.183	S	C	*	.	S	Bend	trans	-86.7	-25.8	-169.5	0	0	0	0	0	113.8
191	D	92.4	Very high	92.2	Very high	68 Å²	68	25.9 Å²	25.9	36%	0.364	16%	0.156	S	C	.	.	S	Bend	trans	-157.5	175.2	-170	52	31.6	0	0	0	110.9	I187 N188 T193	I187-D191 WeakPolarHBondContact CG2-O 3.32Å; N188-D191 WeakPolarHBondContact CB-OD1 3.31Å; N188-D191 PolarHBondContact ND2-OD1 2.94Å; D191-T193 PolarHBondContact O-N 2.72Å; D191-T193 VanDerWaalsContact O-N 3.13Å; D191-T193 WeakPolarHBondContact OD1-CB 3.46Å; D191-T193 WeakPolarHBondContact OD1-CG2 3.38Å; D191-T193 PolarHBondContact OD1-N 2.79Å; D191-T193 PolarHBondContact OD1-OG1 3.18Å
192	D	91.7	Very high	94.2	Very high	44 Å²	44	25 Å²	25	24%	0.235	15%	0.149	C	C	.	.	S	Bend	trans	-82.1	29.6	179.2	-66.7	-38.9	0	0	0	113.2	R250	D192-R250 VanDerWaalsContact CG-NH1 3.33Å; D192-R250 WeakPolarHBondContact OD1-CD 3.27Å; D192-R250 IonicContact OD1-CZ 2.75Å; D192-R250 IonicContact OD1-NE 2.66Å; D192-R250 IonicContact OD1-NH1 2.72Å; D192-R250 PolarHBondContact OD1-NH1 3.39Å; D192-R250 IonicContact OD2-NH1 3.76Å; D192-R250 PolarHBondContact OD2-NH1 3.32Å
193	T	93.4	Very high	95.5	Very high	68 Å²	68	20.8 Å²	20.8	42%	0.417	12%	0.123	S	C	.	.			trans	-84.9	139	177.4	64.5	0	0	0	0	112.1	N188 D191	N188-T193 WeakPolarHBondContact CB-O 3.4Å; N188-T193 WeakPolarHBondContact CB-OG1 3.23Å; N188-T193 PolarHBondContact N-O 3.26Å; D191-T193 PolarHBondContact O-N 2.72Å; D191-T193 VanDerWaalsContact O-N 3.13Å; D191-T193 WeakPolarHBondContact OD1-CB 3.46Å; D191-T193 WeakPolarHBondContact OD1-CG2 3.38Å; D191-T193 PolarHBondContact OD1-N 2.79Å; D191-T193 PolarHBondContact OD1-OG1 3.18Å
194	D	94.9	Very high	95.8	Very high	54 Å²	54	18.1 Å²	18.1	29%	0.289	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	135.4	176	-64.4	-28	0	0	0	110.8	I187 F394	I187-D194 WeakPolarHBondContact CD1-OD1 3.36Å; D194-F394 HydrophobicContact CB-CD1 4.45Å; D194-F394 HydrophobicContact CB-CD2 4.22Å; D194-F394 HydrophobicContact CB-CE1 4.07Å; D194-F394 HydrophobicContact CB-CE2 3.82Å; D194-F394 HydrophobicContact CB-CZ 3.74Å
195	V	96.3	Very high	95.7	Very high	4 Å²	4	21 Å²	21	2%	0.024	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151	172.6	-63.3	0	0	0	0	110.7	C186 N188 W197 F198 S335	C186-V195 HydrophobicContact CB-CG2 3.99Å; C186-V195 WeakPolarHBondContact O-CG2 3.36Å; C186-V195 PolarHBondContact O-N 2.82Å; N188-V195 HydrophobicContact CB-CG1 3.85Å; V195-W197 VanDerWaalsContact C-N 3.27Å; V195-W197 PolarHBondContact O-N 3.44Å; V195-F198 HydrophobicContact CG2-CD1 4.27Å; V195-S335 WeakPolarHBondContact O-CB 3.13Å; V195-S335 PolarHBondContact O-OG 2.99Å
196	D	97.4	Very high	95.4	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	13%	0.133	C	C	.	.	S	Bend	trans	-62.9	-35	178.6	-95.1	-87	0	0	0	112.9	S335 T391 K392 G393 F394 D398	D196-S335 WeakPolarHBondContact O-CB 3.18Å; D196-S335 PolarHBondContact O-N 2.97Å; D196-T391 WeakPolarHBondContact OD1-CB 3.26Å; D196-T391 PolarHBondContact OD1-OG1 3.08Å; D196-K392 PolarHBondContact OD1-N 2.91Å; D196-G393 VanDerWaalsContact OD1-CA 3.31Å; D196-G393 WeakPolarHBondContact OD1-CA 3.1Å; D196-G393 PolarHBondContact OD1-N 2.85Å; D196-F394 PolarHBondContact OD2-N 2.93Å; D196-D398 HydrophobicContact CB-CB 4.43Å; D196-D398 WeakPolarHBondContact CB-O 3.33Å
197	W	98.3	Very high	94.8	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.011	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	161.8	-179.2	60.4	-83.6	0	0	0	111.7	V195 L226 P228 F332 C333 L334 D398 L400 L508 L509	V195-W197 VanDerWaalsContact C-N 3.27Å; V195-W197 PolarHBondContact O-N 3.44Å; W197-L226 HydrophobicContact CH2-CB 4.33Å; W197-L226 HydrophobicContact CZ3-CB 4Å; W197-P228 HydrophobicContact CD2-CG 4.48Å; W197-P228 HydrophobicContact CG-CG 4.48Å; W197-P228 HydrophobicContact CZ2-CG 4.43Å; W197-P228 WeakPolarHBondContact O-CD 3.4Å; W197-F332 HydrophobicContact CB-CE2 4.26Å; W197-F332 HydrophobicContact CE3-CE2 4.08Å; W197-C333 WeakPolarHBondContact CA-O 3.47Å; W197-C333 VanDerWaalsContact CB-O 3.3Å; W197-C333 WeakPolarHBondContact CB-O 3.35Å; W197-L334 HydrophobicContact CB-CD2 3.85Å; W197-D398 PolarHBondContact NE1-O 2.73Å; W197-D398 VanDerWaalsContact NE1-O 3.14Å; W197-L400 HydrophobicContact CB-CD2 4.3Å; W197-L400 HydrophobicContact CD2-CD2 3.96Å; W197-L400 HydrophobicContact CG-CB 4.14Å; W197-L400 HydrophobicContact CG-CD2 3.83Å; W197-L400 HydrophobicContact CG-CG 4.5Å; W197-L400 HydrophobicContact CZ2-CD1 4.36Å; W197-L508 HydrophobicContact CH2-CD2 3.94Å; W197-L508 HydrophobicContact CZ2-CD2 4.42Å; W197-L509 HydrophobicContact CH2-CD1 4.4Å; W197-L509 HydrophobicContact CH2-CD2 4.22Å; W197-L509 HydrophobicContact CH2-CG 4.1Å; W197-L509 HydrophobicContact CZ3-CD1 4.41Å; W197-L509 HydrophobicContact CZ3-CD2 3.95Å; W197-L509 HydrophobicContact CZ3-CG 4.25Å
198	F	98.5	Very high	94.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	154.3	160.3	63.5	-104.6	0	0	0	110.7	C186 V195 I200 L226 M247 T251 F332 C333	C186-F198 HydrophobicContact CB-CD1 3.75Å; C186-F198 HydrophobicContact CB-CE1 3.69Å; V195-F198 HydrophobicContact CG2-CD1 4.27Å; F198-I200 HydrophobicContact CD2-CD1 4.07Å; F198-I200 HydrophobicContact CD2-CG1 3.88Å; F198-I200 HydrophobicContact CE2-CD1 3.66Å; F198-I200 HydrophobicContact CE2-CG1 3.98Å; F198-L226 CarbonylContact C-O 3.54Å; F198-L226 VanDerWaalsContact CA-O 3.24Å; F198-L226 WeakPolarHBondContact CA-O 3.48Å; F198-L226 WeakPolarHBondContact CB-O 3.34Å; F198-M247 HydrophobicContact CB-CE 3.35Å; F198-M247 HydrophobicContact CB-SD 4.26Å; F198-M247 HydrophobicContact CD1-CE 3.86Å; F198-M247 HydrophobicContact CD2-CE 4.01Å; F198-M247 HydrophobicContact CD2-CG 4.27Å; F198-M247 HydrophobicContact CD2-SD 3.91Å; F198-M247 HydrophobicContact CE2-CG 4.24Å; F198-M247 HydrophobicContact CE2-SD 4.45Å; F198-M247 HydrophobicContact CG-CE 3.48Å; F198-M247 VanDerWaalsContact CG-CE 3.48Å; F198-M247 HydrophobicContact CG-CG 4.47Å; F198-M247 HydrophobicContact CG-SD 4.03Å; F198-M247 HydrophobicContact CZ-CG 4.39Å; F198-T251 HydrophobicContact CE1-CG2 4.34Å; F198-T251 VanDerWaalsContact CE1-OG1 3.28Å; F198-T251 WeakPolarHBondContact CE1-OG1 3.5Å; F198-T251 HydrophobicContact CZ-CG2 4.37Å; F198-F332 WeakPolarHBondContact O-CD2 3.18Å; F198-C333 HydrophobicContact CD1-CB 3.81Å; F198-C333 HydrophobicContact CD2-CB 3.99Å; F198-C333 HydrophobicContact CE1-CB 3.39Å; F198-C333 HydrophobicContact CE2-CB 3.59Å; F198-C333 HydrophobicContact CG-CB 4.08Å; F198-C333 HydrophobicContact CZ-CB 3.28Å; F198-C333 PolarHBondContact N-O 3.39Å; F198-C333 VanDerWaalsContact N-O 3.12Å; F198-C333 PolarHBondContact O-N 3.12Å
199	L	98.7	Very high	93.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.9	172.7	-174.4	75.2	0	0	0	109	Y225 L226 W234 M330 L331 F332 W483 L509 F513	L199-Y225 CarbonylContact O-C 3.55Å; L199-Y225 WeakPolarHBondContact O-CA 3.34Å; L199-Y225 WeakPolarHBondContact O-CB 3.28Å; L199-L226 HydrophobicContact CB-CB 4.31Å; L199-L226 HydrophobicContact CD2-CD1 4.22Å; L199-L226 PolarHBondContact N-O 3.03Å; L199-L226 PolarHBondContact O-N 3.1Å; L199-W234 HydrophobicContact CD2-CH2 3.91Å; L199-W234 HydrophobicContact CG-CH2 4.5Å; L199-M330 HydrophobicContact CD1-CG 3.76Å; L199-M330 HydrophobicContact CD1-SD 3.8Å; L199-M330 HydrophobicContact CD2-SD 3.86Å; L199-M330 HydrophobicContact CG-CG 4.37Å; L199-M330 HydrophobicContact CG-SD 3.75Å; L199-L331 CarbonylContact C-O 3.57Å; L199-L331 WeakPolarHBondContact CA-O 3.4Å; L199-F332 HydrophobicContact CB-CD2 4.36Å; L199-F332 HydrophobicContact CD1-CB 3.63Å; L199-F332 HydrophobicContact CD1-CD1 4.35Å; L199-F332 HydrophobicContact CD1-CD2 3.99Å; L199-F332 HydrophobicContact CD1-CG 3.76Å; L199-W483 HydrophobicContact CD1-CH2 3.97Å; L199-W483 HydrophobicContact CD1-CZ2 4.2Å; L199-W483 HydrophobicContact CD2-CH2 3.95Å; L199-W483 HydrophobicContact CD2-CZ2 3.7Å; L199-L509 HydrophobicContact CD2-CD2 3.93Å; L199-F513 HydrophobicContact CD2-CE2 3.48Å; L199-F513 VanDerWaalsContact CD2-CE2 3.48Å; L199-F513 HydrophobicContact CD2-CZ 3.6Å
200	I	98.6	Very high	92.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.3	173.8	-68.7	170.2	0	0	0	108.9	F198 K202 F223 I241 M247 L248 M330 L331	F198-I200 HydrophobicContact CD2-CD1 4.07Å; F198-I200 HydrophobicContact CD2-CG1 3.88Å; F198-I200 HydrophobicContact CE2-CD1 3.66Å; F198-I200 HydrophobicContact CE2-CG1 3.98Å; I200-K202 HydrophobicContact CG2-CB 4.34Å; I200-F223 HydrophobicContact CB-CD2 4.44Å; I200-F223 HydrophobicContact CD1-CE2 4.35Å; I200-F223 HydrophobicContact CG1-CD2 4.16Å; I200-F223 HydrophobicContact CG1-CE2 4.19Å; I200-F223 HydrophobicContact CG2-CB 3.89Å; I200-F223 HydrophobicContact CG2-CD2 3.66Å; I200-F223 HydrophobicContact CG2-CE2 4.43Å; I200-F223 HydrophobicContact CG2-CG 3.97Å; I200-I241 HydrophobicContact CG2-CD1 3.91Å; I200-M247 HydrophobicContact CD1-CG 3.71Å; I200-M247 HydrophobicContact CD1-SD 3.91Å; I200-M247 HydrophobicContact CG1-CG 4.17Å; I200-M247 HydrophobicContact CG1-SD 3.65Å; I200-L248 HydrophobicContact CD1-CB 3.8Å; I200-M330 VanDerWaalsContact O-CA 3.28Å; I200-M330 WeakPolarHBondContact O-CA 3.35Å; I200-L331 HydrophobicContact CB-CB 4.27Å; I200-L331 HydrophobicContact CB-CD1 4.01Å; I200-L331 HydrophobicContact CG2-CD1 3.76Å; I200-L331 PolarHBondContact N-O 3.12Å; I200-L331 PolarHBondContact O-N 3.07Å
201	Y	98	Very high	91.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	91.6	166.3	-154.9	136.8	0	0	0	108.3	I203 F223 F224 W234 A328 M330 M452 I454 V463 D468 S470 F513 M516	Y201-I203 HydrophobicContact CD2-CG2 3.86Å; Y201-I203 HydrophobicContact CE2-CG2 4.26Å; Y201-F223 WeakPolarHBondContact O-CA 3.4Å; Y201-F224 PolarHBondContact N-O 2.91Å; Y201-F224 PolarHBondContact O-N 2.93Å; Y201-W234 AromaticContact CD1-CH2 3.71Å; Y201-W234 HydrophobicContact CD1-CH2 3.71Å; Y201-W234 AromaticContact CD1-CZ2 3.64Å; Y201-W234 HydrophobicContact CD1-CZ2 3.64Å; Y201-W234 HydrophobicContact CG-CH2 4.19Å; Y201-W234 HydrophobicContact CG-CZ2 4.4Å; Y201-A328 HydrophobicContact CD2-CB 4.41Å; Y201-A328 HydrophobicContact CE2-CB 3.79Å; Y201-M330 HydrophobicContact CD1-CE 3.25Å; Y201-M330 HydrophobicContact CD1-SD 3.74Å; Y201-M330 HydrophobicContact CE1-CE 3.28Å; Y201-M330 HydrophobicContact CE1-SD 4.37Å; Y201-M330 HydrophobicContact CG-CE 3.96Å; Y201-M330 HydrophobicContact CG-SD 4.03Å; Y201-M452 VanDerWaalsContact OH-CE 3.23Å; Y201-M452 WeakPolarHBondContact OH-CE 3.48Å; Y201-I454 HydrophobicContact CD1-CD1 4.13Å; Y201-I454 HydrophobicContact CD2-CD1 4.04Å; Y201-I454 HydrophobicContact CE1-CD1 4.35Å; Y201-I454 HydrophobicContact CE2-CD1 4.25Å; Y201-I454 HydrophobicContact CG-CD1 4Å; Y201-V463 HydrophobicContact CE2-CG1 4.43Å; Y201-D468 PolarHBondContact OH-OD2 3.11Å; Y201-S470 PolarHBondContact OH-OG 2.85Å; Y201-F513 HydrophobicContact CE1-CE1 4.42Å; Y201-M516 HydrophobicContact CD1-CE 4.48Å; Y201-M516 HydrophobicContact CE1-CE 3.86Å
202	K	97.5	Very high	89.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	135.1	171.9	178.4	-89.8	169.3	-175.4	0	108.1	I200 G220 F223 I241 W319 A324 K325 N327 A328 Q329	I200-K202 HydrophobicContact CG2-CB 4.34Å; K202-G220 WeakPolarHBondContact CE-O 3.38Å; K202-G220 PolarHBondContact NZ-O 2.85Å; K202-G220 VanDerWaalsContact NZ-O 3.13Å; K202-F223 HydrophobicContact CB-CB 3.94Å; K202-F223 HydrophobicContact CG-CB 4.42Å; K202-I241 HydrophobicContact CB-CD1 3.94Å; K202-I241 HydrophobicContact CG-CD1 4.13Å; K202-I241 HydrophobicContact CG-CG2 4.21Å; K202-W319 HydrophobicContact CD-CZ2 4.07Å; K202-W319 HydrophobicContact CG-CZ2 4.11Å; K202-A324 VanDerWaalsContact CE-O 3.26Å; K202-A324 WeakPolarHBondContact CE-O 3.49Å; K202-A324 PolarHBondContact NZ-O 2.73Å; K202-K325 PolarHBondContact NZ-O 3.03Å; K202-N327 PolarHBondContact NZ-O 2.83Å; K202-A328 CarbonylContact O-C 3.59Å; K202-A328 WeakPolarHBondContact O-CA 3.37Å; K202-A328 VanDerWaalsContact O-CB 3.28Å; K202-A328 WeakPolarHBondContact O-CB 3.29Å; K202-Q329 HydrophobicContact CB-CB 4.35Å; K202-Q329 HydrophobicContact CD-CB 4.28Å; K202-Q329 HydrophobicContact CD-CG 4.23Å; K202-Q329 PolarHBondContact N-O 2.55Å; K202-Q329 PolarHBondContact O-N 2.85Å
203	I	95.2	Very high	87.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	26%	0.261	C	S	.	.			trans	-111.7	165.2	-175.9	60.6	161.7	0	0	0	112.6	Y201 L209 F217 G222 F224 I454 V461	Y201-I203 HydrophobicContact CD2-CG2 3.86Å; Y201-I203 HydrophobicContact CE2-CG2 4.26Å; I203-L209 HydrophobicContact CD1-CD2 4.3Å; I203-F217 HydrophobicContact CD1-CD1 3.54Å; I203-F217 HydrophobicContact CD1-CE1 3.61Å; I203-F217 HydrophobicContact CG1-CD1 3.74Å; I203-F217 HydrophobicContact CG1-CE1 3.7Å; I203-G222 PolarHBondContact N-O 3.36Å; I203-G222 VanDerWaalsContact N-O 3.08Å; I203-F224 HydrophobicContact CD1-CE2 3.82Å; I203-F224 HydrophobicContact CG1-CE2 4.39Å; I203-F224 HydrophobicContact CG2-CD2 4.24Å; I203-F224 HydrophobicContact CG2-CE2 4.43Å; I203-I454 HydrophobicContact CG2-CD1 3.85Å; I203-V461 HydrophobicContact CD1-CB 4.34Å; I203-V461 HydrophobicContact CD1-CG1 3.67Å; I203-V461 HydrophobicContact CD1-CG2 4.04Å
204	Q	93.6	Very high	85.4	Confident	12 Å²	12	36.8 Å²	36.8	6%	0.056	26%	0.256	C	S	.	.			trans	-62.3	160.3	173	73.6	-79.9	16.3	0	0	111.6	T206 D326 E462 M467	Q204-T206 PolarHBondContact O-N 3.21Å; Q204-T206 PolarHBondContact O-OG1 3.1Å; Q204-D326 VanDerWaalsContact CB-O 3.24Å; Q204-D326 WeakPolarHBondContact CB-O 3.49Å; Q204-E462 PolarHBondContact NE2-O 2.86Å; Q204-M467 HydrophobicContact CB-CB 4.49Å; Q204-M467 HydrophobicContact CG-CE 4.29Å
205	P	92.3	Very high	84.6	Confident	62 Å²	62	36.6 Å²	36.6	40%	0.403	26%	0.257	S	S	.	.			trans	-50.5	117.2	176.3	-25.9	33.2	0	0	0	112.1	F217 D326	P205-F217 CarbonylContact C-O 3.45Å; P205-F217 WeakPolarHBondContact CA-O 3.36Å; P205-D326 WeakPolarHBondContact CD-O 3.31Å
206	T	90.2	Very high	84.3	Confident	27 Å²	27	36.8 Å²	36.8	17%	0.166	26%	0.259	C	S	.	.			trans	-134	115.5	-176.4	-50.8	0	0	0	0	109.5	Q204 L209 F217 A218 V461	Q204-T206 PolarHBondContact O-N 3.21Å; Q204-T206 PolarHBondContact O-OG1 3.1Å; T206-L209 HydrophobicContact CG2-CD1 3.49Å; T206-L209 VanDerWaalsContact CG2-CD1 3.49Å; T206-F217 PolarHBondContact N-O 2.88Å; T206-F217 CarbonylContact O-C 3.57Å; T206-F217 VanDerWaalsContact O-C 3.27Å; T206-F217 WeakPolarHBondContact O-CB 3.45Å; T206-A218 WeakPolarHBondContact O-CA 3.43Å; T206-A218 PolarHBondContact O-N 3.37Å; T206-V461 HydrophobicContact CG2-CG1 4.25Å
207	A	84.9	Confident	84.1	Confident	84 Å²	84	36.8 Å²	36.8	69%	0.694	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	154.7	178.7	0	0	0	0	0	111.9	L209	A207-L209 PolarHBondContact O-N 3.46Å
208	G	81.5	Confident	83.8	Confident	81 Å²	81	39.3 Å²	39.3	84%	0.835	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	3.4	170.5	0	0	0	0	0	116.5
209	L	84.2	Confident	83.5	Confident	17 Å²	17	44.8 Å²	44.8	9%	0.089	30%	0.304	C	S	.	.			trans	-80.5	-17.8	177.2	-99.5	70.2	0	0	0	114.6	I203 T206 A207 F217 F224 K236 V461	I203-L209 HydrophobicContact CD1-CD2 4.3Å; T206-L209 HydrophobicContact CG2-CD1 3.49Å; T206-L209 VanDerWaalsContact CG2-CD1 3.49Å; A207-L209 PolarHBondContact O-N 3.46Å; L209-F217 HydrophobicContact CB-CB 4.21Å; L209-F217 HydrophobicContact CB-CG 4.22Å; L209-F217 HydrophobicContact CD2-CD1 3.65Å; L209-F217 HydrophobicContact CD2-CE1 3.93Å; L209-F217 HydrophobicContact CD2-CG 4.07Å; L209-F224 HydrophobicContact CD2-CE2 4.48Å; L209-F224 HydrophobicContact CD2-CZ 4.04Å; L209-K236 PolarHBondContact O-NZ 3.19Å; L209-V461 HydrophobicContact CD1-CG2 4.08Å; L209-V461 HydrophobicContact CD2-CG2 3.31Å; L209-V461 HydrophobicContact CG-CG2 4.13Å
210	D	76.5	Confident	83.2	Confident	36 Å²	36	44.8 Å²	44.8	19%	0.193	30%	0.304	C	S	.	.			trans	-114.3	137.8	-173.6	-64.4	-41.6	0	0	0	110.9	S214 F217 K236	D210-S214 VanDerWaalsContact CB-OG 3.23Å; D210-S214 WeakPolarHBondContact CB-OG 3.45Å; D210-S214 PolarHBondContact OD2-OG 2.93Å; D210-F217 WeakPolarHBondContact OD2-CD2 3Å; D210-K236 IonicContact OD1-NZ 2.73Å; D210-K236 PolarHBondContact OD1-NZ 2.95Å
211	V	62.3	Low	83.1	Confident	160 Å²	160	46.4 Å²	46.4	97%	0.97	31%	0.311	S	S	*	.	S	Bend	trans	-79.4	-32.9	-174.5	-169.2	0	0	0	0	111.9
212	A	53.3	Low	82.9	Confident	67 Å²	67	46.5 Å²	46.5	55%	0.554	31%	0.311	S	S	*	.	S	Bend	trans	-117.1	168.1	173.5	0	0	0	0	0	108.1	S214	A212-S214 PolarHBondContact O-N 3.3Å
213	P	44.5	Very low	82.9	Confident	119 Å²	119	46.5 Å²	46.5	77%	0.773	31%	0.311	S	S	*	.			trans	-73.9	55.3	-179.6	32.7	-34.2	0	0	0	111.6	T215	P213-T215 HydrophobicContact CB-CG2 4.25Å; P213-T215 PolarHBondContact O-N 2.81Å
214	S	55.6	Low	83	Confident	46 Å²	46	46.5 Å²	46.5	32%	0.322	31%	0.311	S	S	.	.			trans	-69.5	85	147.2	58.2	0	0	0	0	105.8	D210 A212 A216	D210-S214 VanDerWaalsContact CB-OG 3.23Å; D210-S214 WeakPolarHBondContact CB-OG 3.45Å; D210-S214 PolarHBondContact OD2-OG 2.93Å; A212-S214 PolarHBondContact O-N 3.3Å; S214-A216 PolarHBondContact O-N 3Å
215	T	79	Confident	83.2	Confident	50 Å²	50	47.7 Å²	47.7	31%	0.307	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	4.5	-175.9	52.5	0	0	0	0	114.7	P213 F217 A218 K219	P213-T215 HydrophobicContact CB-CG2 4.25Å; P213-T215 PolarHBondContact O-N 2.81Å; T215-F217 PolarHBondContact O-N 2.88Å; T215-A218 PolarHBondContact O-N 2.91Å; T215-K219 VanDerWaalsContact CB-CE 3.4Å; T215-K219 WeakPolarHBondContact O-CB 3.33Å; T215-K219 VanDerWaalsContact O-CG 3.26Å; T215-K219 WeakPolarHBondContact O-CG 3.48Å; T215-K219 PolarHBondContact O-N 3.41Å; T215-K219 VanDerWaalsContact OG1-CD 3.32Å; T215-K219 WeakPolarHBondContact OG1-CD 3.35Å; T215-K219 WeakPolarHBondContact OG1-CE 3.38Å; T215-K219 PolarHBondContact OG1-NZ 3.39Å
216	A	90.7	Very high	83.4	Confident	7 Å²	7	44.8 Å²	44.8	6%	0.058	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-53.8	-170.9	0	0	0	0	0	111.6	S214 K219 G220 Y221 G222	S214-A216 PolarHBondContact O-N 3Å; A216-K219 PolarHBondContact O-N 3.37Å; A216-G220 PolarHBondContact O-N 2.86Å; A216-G220 VanDerWaalsContact O-N 3.14Å; A216-Y221 CarbonylContact O-C 3.51Å; A216-Y221 WeakPolarHBondContact O-CA 3.07Å; A216-Y221 PolarHBondContact O-N 3.08Å; A216-G222 VanDerWaalsContact C-N 3.32Å; A216-G222 PolarHBondContact O-N 3.17Å
217	F	93	Very high	83.8	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.009	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-46.9	179.6	-77.9	-86.4	0	0	0	112.2	I203 P205 T206 L209 D210 T215 K219 G220 F224 K236	I203-F217 HydrophobicContact CD1-CD1 3.54Å; I203-F217 HydrophobicContact CD1-CE1 3.61Å; I203-F217 HydrophobicContact CG1-CD1 3.74Å; I203-F217 HydrophobicContact CG1-CE1 3.7Å; P205-F217 CarbonylContact C-O 3.45Å; P205-F217 WeakPolarHBondContact CA-O 3.36Å; T206-F217 PolarHBondContact N-O 2.88Å; T206-F217 CarbonylContact O-C 3.57Å; T206-F217 VanDerWaalsContact O-C 3.27Å; T206-F217 WeakPolarHBondContact O-CB 3.45Å; L209-F217 HydrophobicContact CB-CB 4.21Å; L209-F217 HydrophobicContact CB-CG 4.22Å; L209-F217 HydrophobicContact CD2-CD1 3.65Å; L209-F217 HydrophobicContact CD2-CE1 3.93Å; L209-F217 HydrophobicContact CD2-CG 4.07Å; D210-F217 WeakPolarHBondContact OD2-CD2 3Å; T215-F217 PolarHBondContact O-N 2.88Å; F217-K219 PolarHBondContact O-N 2.8Å; F217-G220 PolarHBondContact O-N 2.81Å; F217-G220 VanDerWaalsContact O-N 3.11Å; F217-F224 HydrophobicContact CE1-CD2 4.24Å; F217-F224 AromaticContact CE1-CE2 3.69Å; F217-F224 HydrophobicContact CE1-CE2 3.69Å; F217-F224 HydrophobicContact CE1-CZ 4.01Å; F217-F224 HydrophobicContact CZ-CE2 4.18Å; F217-F224 HydrophobicContact CZ-CZ 4.2Å; F217-K236 HydrophobicContact CE2-CD 3.77Å; F217-K236 HydrophobicContact CE2-CG 3.64Å; F217-K236 HydrophobicContact CZ-CD 3.96Å; F217-K236 HydrophobicContact CZ-CG 3.59Å
218	A	91.3	Very high	84.2	Confident	56 Å²	56	40.9 Å²	40.9	46%	0.463	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.5	179.1	0	0	0	0	0	113.3	T206 T215	T206-A218 WeakPolarHBondContact O-CA 3.43Å; T206-A218 PolarHBondContact O-N 3.37Å; T215-A218 PolarHBondContact O-N 2.91Å
219	K	91.9	Very high	84.6	Confident	114 Å²	114	43 Å²	43	50%	0.496	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.4	177.7	-70.4	176.7	178.9	165.4	0	114	T215 A216 F217 Y221 K325	T215-K219 VanDerWaalsContact CB-CE 3.4Å; T215-K219 WeakPolarHBondContact O-CB 3.33Å; T215-K219 VanDerWaalsContact O-CG 3.26Å; T215-K219 WeakPolarHBondContact O-CG 3.48Å; T215-K219 PolarHBondContact O-N 3.41Å; T215-K219 VanDerWaalsContact OG1-CD 3.32Å; T215-K219 WeakPolarHBondContact OG1-CD 3.35Å; T215-K219 WeakPolarHBondContact OG1-CE 3.38Å; T215-K219 PolarHBondContact OG1-NZ 3.39Å; A216-K219 PolarHBondContact O-N 3.37Å; F217-K219 PolarHBondContact O-N 2.8Å; K219-Y221 HydrophobicContact CB-CD2 3.73Å; K219-Y221 HydrophobicContact CB-CE2 3.97Å; K219-K325 WeakPolarHBondContact O-CE 3.08Å
220	G	93.5	Very high	84.9	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	25.7	-179.5	0	0	0	0	0	114.8	K202 A216 F217	K202-G220 WeakPolarHBondContact CE-O 3.38Å; K202-G220 PolarHBondContact NZ-O 2.85Å; K202-G220 VanDerWaalsContact NZ-O 3.13Å; A216-G220 PolarHBondContact O-N 2.86Å; A216-G220 VanDerWaalsContact O-N 3.14Å; F217-G220 PolarHBondContact O-N 2.81Å; F217-G220 VanDerWaalsContact O-N 3.11Å
221	Y	95.3	Very high	85.2	Confident	35 Å²	35	49.4 Å²	49.4	14%	0.137	29%	0.285	C	S	.	.			trans	-115.4	-2.6	174.8	-57.9	-62.9	0	0	0	113.5	A216 K219 I241 N242 W319 K325	A216-Y221 CarbonylContact O-C 3.51Å; A216-Y221 WeakPolarHBondContact O-CA 3.07Å; A216-Y221 PolarHBondContact O-N 3.08Å; K219-Y221 HydrophobicContact CB-CD2 3.73Å; K219-Y221 HydrophobicContact CB-CE2 3.97Å; Y221-I241 HydrophobicContact CD1-CG2 4.33Å; Y221-I241 WeakPolarHBondContact O-CG2 3.35Å; Y221-I241 PolarHBondContact O-N 2.9Å; Y221-N242 WeakPolarHBondContact CB-OD1 3.47Å; Y221-N242 HydrophobicContact CD1-CB 3.64Å; Y221-N242 WeakPolarHBondContact CD1-OD1 3.45Å; Y221-N242 WeakPolarHBondContact CD2-OD1 3.26Å; Y221-N242 HydrophobicContact CE1-CB 3.84Å; Y221-N242 HydrophobicContact CG-CB 4.1Å; Y221-W319 AromaticContact CD1-CD1 3.98Å; Y221-W319 HydrophobicContact CD1-CG 4.44Å; Y221-W319 AromaticContact CE1-CD1 3.94Å; Y221-K325 HydrophobicContact CE1-CD 4.06Å; Y221-K325 HydrophobicContact CE1-CG 4.04Å; Y221-K325 WeakPolarHBondContact OH-CE 3.45Å; Y221-K325 PolarHBondContact OH-NZ 3.06Å
222	G	95	Very high	86.2	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.01	28%	0.28	C	S	.	.			trans	-71.7	142.1	178.4	0	0	0	0	0	112.2	I203 A216	I203-G222 PolarHBondContact N-O 3.36Å; I203-G222 VanDerWaalsContact N-O 3.08Å; A216-G222 VanDerWaalsContact C-N 3.32Å; A216-G222 PolarHBondContact O-N 3.17Å
223	F	96.6	Very high	88.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	152.6	178.8	71.1	-86.4	0	0	0	112.3	I200 Y201 K202 Y225 S237 I239 I241 Q246 M247	I200-F223 HydrophobicContact CB-CD2 4.44Å; I200-F223 HydrophobicContact CD1-CE2 4.35Å; I200-F223 HydrophobicContact CG1-CD2 4.16Å; I200-F223 HydrophobicContact CG1-CE2 4.19Å; I200-F223 HydrophobicContact CG2-CB 3.89Å; I200-F223 HydrophobicContact CG2-CD2 3.66Å; I200-F223 HydrophobicContact CG2-CE2 4.43Å; I200-F223 HydrophobicContact CG2-CG 3.97Å; Y201-F223 WeakPolarHBondContact O-CA 3.4Å; K202-F223 HydrophobicContact CB-CB 3.94Å; K202-F223 HydrophobicContact CG-CB 4.42Å; F223-Y225 HydrophobicContact CD2-CD1 4.42Å; F223-Y225 HydrophobicContact CE2-CD1 4.03Å; F223-Y225 HydrophobicContact CE2-CG 4.48Å; F223-S237 WeakPolarHBondContact CE1-OG 3.16Å; F223-S237 VanDerWaalsContact CZ-OG 3.28Å; F223-S237 WeakPolarHBondContact CZ-OG 3.07Å; F223-S237 WeakPolarHBondContact O-CB 3.33Å; F223-S237 PolarHBondContact O-N 2.82Å; F223-I239 WeakPolarHBondContact CE1-O 3.47Å; F223-I241 HydrophobicContact CD1-CB 3.69Å; F223-I241 HydrophobicContact CD1-CD1 4.41Å; F223-I241 HydrophobicContact CD1-CG1 4.23Å; F223-I241 HydrophobicContact CE1-CB 4.02Å; F223-I241 HydrophobicContact CE1-CG1 4.39Å; F223-Q246 HydrophobicContact CE1-CB 4.49Å; F223-Q246 HydrophobicContact CE1-CG 4.38Å; F223-Q246 HydrophobicContact CZ-CB 4.14Å; F223-Q246 HydrophobicContact CZ-CG 4.4Å; F223-M247 HydrophobicContact CE2-SD 4.22Å
224	F	96.8	Very high	90.6	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	155.7	166.1	-62.1	-86.4	0	0	0	109.2	Y201 I203 L209 F217 W234 S235 K236 I454 E456 V461	Y201-F224 PolarHBondContact N-O 2.91Å; Y201-F224 PolarHBondContact O-N 2.93Å; I203-F224 HydrophobicContact CD1-CE2 3.82Å; I203-F224 HydrophobicContact CG1-CE2 4.39Å; I203-F224 HydrophobicContact CG2-CD2 4.24Å; I203-F224 HydrophobicContact CG2-CE2 4.43Å; L209-F224 HydrophobicContact CD2-CE2 4.48Å; L209-F224 HydrophobicContact CD2-CZ 4.04Å; F217-F224 HydrophobicContact CE1-CD2 4.24Å; F217-F224 AromaticContact CE1-CE2 3.69Å; F217-F224 HydrophobicContact CE1-CE2 3.69Å; F217-F224 HydrophobicContact CE1-CZ 4.01Å; F217-F224 HydrophobicContact CZ-CE2 4.18Å; F217-F224 HydrophobicContact CZ-CZ 4.2Å; F224-W234 HydrophobicContact CB-CB 4.1Å; F224-W234 HydrophobicContact CB-CD2 4.01Å; F224-W234 HydrophobicContact CB-CE3 3.63Å; F224-W234 HydrophobicContact CB-CG 4.22Å; F224-W234 HydrophobicContact CB-CZ3 4.43Å; F224-W234 HydrophobicContact CD1-CB 4.16Å; F224-W234 HydrophobicContact CG-CB 4.4Å; F224-S235 CarbonylContact C-O 3.54Å; F224-S235 VanDerWaalsContact CA-O 3.26Å; F224-S235 WeakPolarHBondContact CA-O 3.3Å; F224-K236 HydrophobicContact CD1-CB 3.94Å; F224-K236 HydrophobicContact CD1-CG 4.18Å; F224-K236 HydrophobicContact CE1-CB 3.76Å; F224-K236 HydrophobicContact CE1-CD 4.2Å; F224-K236 HydrophobicContact CE1-CG 3.76Å; F224-K236 HydrophobicContact CZ-CG 4.37Å; F224-I454 HydrophobicContact CD1-CG2 4.13Å; F224-I454 HydrophobicContact CD2-CD1 4.05Å; F224-I454 HydrophobicContact CD2-CG2 3.81Å; F224-I454 HydrophobicContact CE1-CG2 4.18Å; F224-I454 HydrophobicContact CE2-CD1 4.47Å; F224-I454 HydrophobicContact CE2-CG2 3.86Å; F224-I454 HydrophobicContact CG-CG2 3.94Å; F224-I454 HydrophobicContact CZ-CG2 4.05Å; F224-E456 HydrophobicContact CD1-CB 4.22Å; F224-E456 HydrophobicContact CD1-CG 4.41Å; F224-E456 HydrophobicContact CE1-CB 3.82Å; F224-E456 HydrophobicContact CE1-CG 4.23Å; F224-V461 HydrophobicContact CE2-CG2 4.05Å; F224-V461 HydrophobicContact CZ-CG2 4.01Å
225	Y	97.7	Very high	92.4	Very high	37 Å²	37	38.4 Å²	38.4	15%	0.145	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	157.3	176.8	67.1	-83.5	0	0	0	112.8	Q189 L199 F223 S235 M247	Q189-Y225 HydrophobicContact CB-CD2 4.47Å; Q189-Y225 HydrophobicContact CB-CE1 4.27Å; Q189-Y225 HydrophobicContact CB-CE2 3.85Å; Q189-Y225 HydrophobicContact CG-CD1 4.45Å; Q189-Y225 HydrophobicContact CG-CE1 3.75Å; Q189-Y225 HydrophobicContact CG-CE2 4.25Å; L199-Y225 CarbonylContact O-C 3.55Å; L199-Y225 WeakPolarHBondContact O-CA 3.34Å; L199-Y225 WeakPolarHBondContact O-CB 3.28Å; F223-Y225 HydrophobicContact CD2-CD1 4.42Å; F223-Y225 HydrophobicContact CE2-CD1 4.03Å; F223-Y225 HydrophobicContact CE2-CG 4.48Å; Y225-S235 VanDerWaalsContact CD1-O 3.25Å; Y225-S235 WeakPolarHBondContact CD1-O 3.02Å; Y225-S235 VanDerWaalsContact CZ-CB 3.42Å; Y225-S235 PolarHBondContact N-O 3.43Å; Y225-S235 PolarHBondContact O-N 2.85Å; Y225-M247 HydrophobicContact CD2-CE 3.88Å; Y225-M247 HydrophobicContact CD2-SD 4.01Å; Y225-M247 HydrophobicContact CE2-CE 4.5Å; Y225-M247 HydrophobicContact CG-CE 4.32Å; Y225-M247 HydrophobicContact CG-SD 3.82Å
226	L	98.1	Very high	93.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.1	167.1	-61.7	173.1	0	0	0	108.5	W197 F198 L199 G233 W234 L508 L509 T512 F513	W197-L226 HydrophobicContact CH2-CB 4.33Å; W197-L226 HydrophobicContact CZ3-CB 4Å; F198-L226 CarbonylContact C-O 3.54Å; F198-L226 VanDerWaalsContact CA-O 3.24Å; F198-L226 WeakPolarHBondContact CA-O 3.48Å; F198-L226 WeakPolarHBondContact CB-O 3.34Å; L199-L226 HydrophobicContact CB-CB 4.31Å; L199-L226 HydrophobicContact CD2-CD1 4.22Å; L199-L226 PolarHBondContact N-O 3.03Å; L199-L226 PolarHBondContact O-N 3.1Å; L226-G233 WeakPolarHBondContact CD2-O 3.33Å; L226-W234 HydrophobicContact CD1-CE3 4.33Å; L226-W234 HydrophobicContact CD1-CH2 3.96Å; L226-W234 HydrophobicContact CD1-CZ2 4.25Å; L226-W234 HydrophobicContact CD1-CZ3 4.02Å; L226-W234 HydrophobicContact CD2-CD2 4.28Å; L226-W234 HydrophobicContact CD2-CE3 4.08Å; L226-W234 HydrophobicContact CG-CD2 4.21Å; L226-W234 HydrophobicContact CG-CE3 3.67Å; L226-W234 HydrophobicContact CG-CH2 4.1Å; L226-W234 HydrophobicContact CG-CZ3 3.63Å; L226-L508 HydrophobicContact CD2-CD1 4.19Å; L226-L508 HydrophobicContact CD2-CG 4.35Å; L226-L509 HydrophobicContact CD1-CD2 3.86Å; L226-T512 HydrophobicContact CD1-CG2 4.02Å; L226-T512 HydrophobicContact CD2-CG2 4.34Å; L226-F513 HydrophobicContact CD1-CE2 4.22Å
227	S	97.1	Very high	93.2	Very high	2 Å²	2	38 Å²	38	1%	0.014	21%	0.213	C	C	.	.			trans	-148.6	170	174.4	68.6	0	0	0	0	108.6	K229 S230 L508	S227-K229 PolarHBondContact O-N 3.46Å; S227-K229 PolarHBondContact OG-N 3.16Å; S227-S230 PolarHBondContact N-OG 3.4Å; S227-S230 WeakPolarHBondContact O-CB 3.48Å; S227-S230 PolarHBondContact O-N 3.08Å; S227-S230 PolarHBondContact O-OG 3.21Å; S227-S230 PolarHBondContact OG-OG 3.08Å; S227-L508 WeakPolarHBondContact O-CD2 3.5Å
228	P	94.4	Very high	93.1	Very high	28 Å²	28	43.2 Å²	43.2	18%	0.182	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-26.8	171.2	-27.2	32.1	0	0	0	114.7	W197 D398	W197-P228 HydrophobicContact CD2-CG 4.48Å; W197-P228 HydrophobicContact CG-CG 4.48Å; W197-P228 HydrophobicContact CZ2-CG 4.43Å; W197-P228 WeakPolarHBondContact O-CD 3.4Å; P228-D398 HydrophobicContact CB-CB 3.57Å; P228-D398 VanDerWaalsContact CB-CG 3.41Å; P228-D398 HydrophobicContact CG-CB 3.8Å
229	K	89.3	Confident	93.2	Very high	124 Å²	124	42.7 Å²	42.7	54%	0.539	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-5.1	-179.1	-54.2	-50.4	-173.6	-154.4	0	113.7	S227 L231 D398	S227-K229 PolarHBondContact O-N 3.46Å; S227-K229 PolarHBondContact OG-N 3.16Å; K229-L231 PolarHBondContact O-N 2.94Å; K229-D398 IonicContact NZ-OD1 3.32Å; K229-D398 IonicContact NZ-OD2 2.79Å; K229-D398 PolarHBondContact NZ-OD2 3.38Å
230	S	91.2	Very high	93.3	Very high	11 Å²	11	37.3 Å²	37.3	8%	0.077	21%	0.211	C	C	.	.			trans	-72.5	126.1	177.8	-62.2	0	0	0	0	110.7	S227 S235	S227-S230 PolarHBondContact N-OG 3.4Å; S227-S230 WeakPolarHBondContact O-CB 3.48Å; S227-S230 PolarHBondContact O-N 3.08Å; S227-S230 PolarHBondContact O-OG 3.21Å; S227-S230 PolarHBondContact OG-OG 3.08Å; S230-S235 PolarHBondContact OG-OG 3.29Å
231	L	83.4	Confident	93.5	Very high	178 Å²	178	37.3 Å²	37.3	93%	0.932	21%	0.211	S	C	*	.	S	Bend	trans	-72.1	-51.6	-169.7	-65.4	174.7	0	0	0	114.3	K229	K229-L231 PolarHBondContact O-N 2.94Å
232	A	83.1	Confident	93.5	Very high	104 Å²	104	38 Å²	38	86%	0.86	22%	0.217	S	C	*	.	S	Bend	trans	-144.6	15.2	-167.2	0	0	0	0	0	114.6
233	G	92.5	Very high	93.5	Very high	13 Å²	13	42.2 Å²	42.2	13%	0.134	24%	0.237	C	C	.	.	S	Bend	trans	145.5	-153.7	-177.1	0	0	0	0	0	111.7	L226 S235	L226-G233 WeakPolarHBondContact CD2-O 3.33Å; G233-S235 PolarHBondContact O-N 2.84Å
234	W	96	Very high	93.4	Very high	17 Å²	17	46.9 Å²	46.9	6%	0.064	26%	0.261	C	S	.	.			trans	-55.5	136.3	-179	-68.3	112.6	0	0	0	112.1	L199 Y201 F224 L226 M330 I454 E456 T512 F513 M516	L199-W234 HydrophobicContact CD2-CH2 3.91Å; L199-W234 HydrophobicContact CG-CH2 4.5Å; Y201-W234 AromaticContact CD1-CH2 3.71Å; Y201-W234 HydrophobicContact CD1-CH2 3.71Å; Y201-W234 AromaticContact CD1-CZ2 3.64Å; Y201-W234 HydrophobicContact CD1-CZ2 3.64Å; Y201-W234 HydrophobicContact CG-CH2 4.19Å; Y201-W234 HydrophobicContact CG-CZ2 4.4Å; F224-W234 HydrophobicContact CB-CB 4.1Å; F224-W234 HydrophobicContact CB-CD2 4.01Å; F224-W234 HydrophobicContact CB-CE3 3.63Å; F224-W234 HydrophobicContact CB-CG 4.22Å; F224-W234 HydrophobicContact CB-CZ3 4.43Å; F224-W234 HydrophobicContact CD1-CB 4.16Å; F224-W234 HydrophobicContact CG-CB 4.4Å; L226-W234 HydrophobicContact CD1-CE3 4.33Å; L226-W234 HydrophobicContact CD1-CH2 3.96Å; L226-W234 HydrophobicContact CD1-CZ2 4.25Å; L226-W234 HydrophobicContact CD1-CZ3 4.02Å; L226-W234 HydrophobicContact CD2-CD2 4.28Å; L226-W234 HydrophobicContact CD2-CE3 4.08Å; L226-W234 HydrophobicContact CG-CD2 4.21Å; L226-W234 HydrophobicContact CG-CE3 3.67Å; L226-W234 HydrophobicContact CG-CH2 4.1Å; L226-W234 HydrophobicContact CG-CZ3 3.63Å; W234-M330 HydrophobicContact CH2-SD 4.46Å; W234-I454 HydrophobicContact CB-CG2 4.3Å; W234-I454 HydrophobicContact CG-CG2 3.97Å; W234-E456 VanDerWaalsContact O-CG 3.3Å; W234-E456 WeakPolarHBondContact O-CG 3.46Å; W234-T512 VanDerWaalsContact CD1-CG2 3.5Å; W234-T512 HydrophobicContact CD2-CG2 4.08Å; W234-T512 VanDerWaalsContact CE2-CG2 3.48Å; W234-T512 HydrophobicContact CG-CG2 4.08Å; W234-T512 HydrophobicContact CZ2-CG2 3.98Å; W234-F513 AromaticContact CH2-CE2 3.99Å; W234-F513 HydrophobicContact CH2-CE2 3.99Å; W234-F513 AromaticContact CH2-CZ 3.85Å; W234-F513 HydrophobicContact CH2-CZ 3.85Å; W234-F513 HydrophobicContact CZ2-CE1 4.4Å; W234-F513 AromaticContact CZ2-CE2 3.78Å; W234-F513 HydrophobicContact CZ2-CE2 3.78Å; W234-F513 AromaticContact CZ2-CZ 3.69Å; W234-F513 HydrophobicContact CZ2-CZ 3.69Å; W234-M516 HydrophobicContact CZ2-SD 3.98Å; W234-M516 PolarHBondContact NE1-SD 2.95Å
235	S	94.9	Very high	93.3	Very high	27 Å²	27	51 Å²	51	19%	0.189	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.2	167.5	-56.2	0	0	0	0	108.4	F224 Y225 S230 G233	F224-S235 CarbonylContact C-O 3.54Å; F224-S235 VanDerWaalsContact CA-O 3.26Å; F224-S235 WeakPolarHBondContact CA-O 3.3Å; Y225-S235 VanDerWaalsContact CD1-O 3.25Å; Y225-S235 WeakPolarHBondContact CD1-O 3.02Å; Y225-S235 VanDerWaalsContact CZ-CB 3.42Å; Y225-S235 PolarHBondContact N-O 3.43Å; Y225-S235 PolarHBondContact O-N 2.85Å; S230-S235 PolarHBondContact OG-OG 3.29Å; G233-S235 PolarHBondContact O-N 2.84Å
236	K	93.2	Very high	93.2	Very high	43 Å²	43	49.2 Å²	49.2	19%	0.187	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	128.7	177.1	-167.8	178.1	72.8	151.5	0	110.1	L209 D210 F217 F224 E456	L209-K236 PolarHBondContact O-NZ 3.19Å; D210-K236 IonicContact OD1-NZ 2.73Å; D210-K236 PolarHBondContact OD1-NZ 2.95Å; F217-K236 HydrophobicContact CE2-CD 3.77Å; F217-K236 HydrophobicContact CE2-CG 3.64Å; F217-K236 HydrophobicContact CZ-CD 3.96Å; F217-K236 HydrophobicContact CZ-CG 3.59Å; F224-K236 HydrophobicContact CD1-CB 3.94Å; F224-K236 HydrophobicContact CD1-CG 4.18Å; F224-K236 HydrophobicContact CE1-CB 3.76Å; F224-K236 HydrophobicContact CE1-CD 4.2Å; F224-K236 HydrophobicContact CE1-CG 3.76Å; F224-K236 HydrophobicContact CZ-CG 4.37Å; K236-E456 HydrophobicContact CB-CG 4.24Å
237	S	93.5	Very high	93.1	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.028	28%	0.277	C	S	.	.			trans	-73.8	138.3	170.4	-178.3	0	0	0	0	111	Q189 F223 I239	Q189-S237 PolarHBondContact NE2-OG 3.33Å; F223-S237 WeakPolarHBondContact CE1-OG 3.16Å; F223-S237 VanDerWaalsContact CZ-OG 3.28Å; F223-S237 WeakPolarHBondContact CZ-OG 3.07Å; F223-S237 WeakPolarHBondContact O-CB 3.33Å; F223-S237 PolarHBondContact O-N 2.82Å; S237-I239 PolarHBondContact OG-N 2.98Å; S237-I239 VanDerWaalsContact OG-N 3.08Å; S237-I239 PolarHBondContact OG-O 3.11Å
238	T	90.8	Very high	93.2	Very high	113 Å²	113	49.1 Å²	49.1	69%	0.693	28%	0.276	S	S	*	.	S	Bend	trans	-86.6	-11.9	169.5	52.8	0	0	0	0	112.9
239	I	93.2	Very high	93.3	Very high	44 Å²	44	48.5 Å²	48.5	23%	0.226	27%	0.271	C	S	.	.	S	Bend	trans	-112.3	136	-177	-59.7	172.9	0	0	0	108.7	F223 S237 E243 N244 D245 Q246	F223-I239 WeakPolarHBondContact CE1-O 3.47Å; S237-I239 PolarHBondContact OG-N 2.98Å; S237-I239 VanDerWaalsContact OG-N 3.08Å; S237-I239 PolarHBondContact OG-O 3.11Å; I239-E243 HydrophobicContact CG2-CB 3.75Å; I239-N244 WeakPolarHBondContact CG2-O 3.49Å; I239-D245 HydrophobicContact CD1-CB 4.32Å; I239-Q246 HydrophobicContact CB-CB 4.12Å; I239-Q246 HydrophobicContact CG2-CB 3.91Å; I239-Q246 HydrophobicContact CG2-CG 3.97Å
240	G	94.6	Very high	93.7	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.01	25%	0.25	C	C	.	.			trans	-66.1	146.1	178.2	0	0	0	0	0	112.1	N242 E243	G240-N242 PolarHBondContact O-N 3.45Å; G240-N242 VanDerWaalsContact O-N 3.1Å; G240-E243 PolarHBondContact N-OE2 2.73Å; G240-E243 WeakPolarHBondContact O-CB 3.45Å; G240-E243 PolarHBondContact O-N 2.78Å
241	I	97	Very high	94	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.7	179.1	-159.9	161.9	0	0	0	112.7	I200 K202 Y221 F223 E243 Q246 L248 Y317 W319 L331	I200-I241 HydrophobicContact CG2-CD1 3.91Å; K202-I241 HydrophobicContact CB-CD1 3.94Å; K202-I241 HydrophobicContact CG-CD1 4.13Å; K202-I241 HydrophobicContact CG-CG2 4.21Å; Y221-I241 HydrophobicContact CD1-CG2 4.33Å; Y221-I241 WeakPolarHBondContact O-CG2 3.35Å; Y221-I241 PolarHBondContact O-N 2.9Å; F223-I241 HydrophobicContact CD1-CB 3.69Å; F223-I241 HydrophobicContact CD1-CD1 4.41Å; F223-I241 HydrophobicContact CD1-CG1 4.23Å; F223-I241 HydrophobicContact CE1-CB 4.02Å; F223-I241 HydrophobicContact CE1-CG1 4.39Å; I241-E243 VanDerWaalsContact C-N 3.3Å; I241-Q246 PolarHBondContact O-NE2 2.93Å; I241-L248 HydrophobicContact CD1-CD2 4.09Å; I241-L248 HydrophobicContact CG1-CD2 4.01Å; I241-Y317 WeakPolarHBondContact O-CE1 3.32Å; I241-Y317 PolarHBondContact O-OH 3.49Å; I241-W319 HydrophobicContact CB-CE3 4.44Å; I241-W319 HydrophobicContact CD1-CE3 3.97Å; I241-W319 HydrophobicContact CD1-CH2 3.44Å; I241-W319 VanDerWaalsContact CD1-CH2 3.44Å; I241-W319 HydrophobicContact CD1-CZ2 4.1Å; I241-W319 HydrophobicContact CD1-CZ3 3.38Å; I241-W319 HydrophobicContact CG1-CD2 4.39Å; I241-W319 HydrophobicContact CG1-CE3 3.79Å; I241-W319 HydrophobicContact CG1-CH2 4.21Å; I241-W319 HydrophobicContact CG1-CZ3 3.69Å; I241-W319 HydrophobicContact CG2-CD2 3.59Å; I241-W319 HydrophobicContact CG2-CE3 3.89Å; I241-W319 HydrophobicContact CG2-CG 3.9Å; I241-W319 HydrophobicContact CG2-CZ2 4.3Å; I241-W319 HydrophobicContact CG2-CZ3 4.36Å; I241-L331 HydrophobicContact CD1-CD1 4.24Å
242	N	95.5	Very high	94.6	Very high	51 Å²	51	34.9 Å²	34.9	27%	0.273	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-7.7	176.6	66.6	-66.4	0	0	0	113.7	Y221 G240 W319	Y221-N242 WeakPolarHBondContact CB-OD1 3.47Å; Y221-N242 HydrophobicContact CD1-CB 3.64Å; Y221-N242 WeakPolarHBondContact CD1-OD1 3.45Å; Y221-N242 WeakPolarHBondContact CD2-OD1 3.26Å; Y221-N242 HydrophobicContact CE1-CB 3.84Å; Y221-N242 HydrophobicContact CG-CB 4.1Å; G240-N242 PolarHBondContact O-N 3.45Å; G240-N242 VanDerWaalsContact O-N 3.1Å; N242-W319 HydrophobicContact CB-CB 3.73Å
243	E	95.1	Very high	95.2	Very high	89 Å²	89	33.2 Å²	33.2	42%	0.416	18%	0.175	S	C	.	.	S	Bend	trans	-97.6	166.2	-175.8	-62.8	174.8	-174.3	0	0	111	I239 G240 I241 Q246	I239-E243 HydrophobicContact CG2-CB 3.75Å; G240-E243 PolarHBondContact N-OE2 2.73Å; G240-E243 WeakPolarHBondContact O-CB 3.45Å; G240-E243 PolarHBondContact O-N 2.78Å; I241-E243 VanDerWaalsContact C-N 3.3Å; E243-Q246 PolarHBondContact O-NE2 2.76Å
244	N	94.6	Very high	95.3	Very high	97 Å²	97	33.2 Å²	33.2	52%	0.519	17%	0.173	S	C	.	.	S	Bend	trans	-76	173.1	173.5	-65.9	-14.6	0	0	0	110.7	I239 Q246	I239-N244 WeakPolarHBondContact CG2-O 3.49Å; N244-Q246 PolarHBondContact O-N 3.09Å
245	D	93.6	Very high	95.2	Very high	88 Å²	88	32.6 Å²	32.6	47%	0.471	17%	0.17	S	C	.	.	S	Bend	trans	69.5	11.2	170.1	-63.9	-52.4	0	0	0	115.7	I239 R250	I239-D245 HydrophobicContact CD1-CB 4.32Å; D245-R250 VanDerWaalsContact CA-NH2 3.3Å; D245-R250 VanDerWaalsContact CB-NH2 3.25Å; D245-R250 PolarHBondContact O-NE 2.67Å; D245-R250 PolarHBondContact O-NH2 3.44Å; D245-R250 IonicContact OD1-CZ 3.55Å; D245-R250 IonicContact OD1-NH1 2.81Å; D245-R250 IonicContact OD1-NH2 2.8Å; D245-R250 PolarHBondContact OD1-NH2 2.72Å
246	Q	95.7	Very high	95.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-111.1	161.2	170	59.3	73.4	24.7	0	0	112.2	F223 I239 I241 E243 N244 L248 Q249 R250 Y317	F223-Q246 HydrophobicContact CE1-CB 4.49Å; F223-Q246 HydrophobicContact CE1-CG 4.38Å; F223-Q246 HydrophobicContact CZ-CB 4.14Å; F223-Q246 HydrophobicContact CZ-CG 4.4Å; I239-Q246 HydrophobicContact CB-CB 4.12Å; I239-Q246 HydrophobicContact CG2-CB 3.91Å; I239-Q246 HydrophobicContact CG2-CG 3.97Å; I241-Q246 PolarHBondContact O-NE2 2.93Å; E243-Q246 PolarHBondContact O-NE2 2.76Å; N244-Q246 PolarHBondContact O-N 3.09Å; Q246-L248 VanDerWaalsContact C-N 3.32Å; Q246-L248 PolarHBondContact O-N 2.85Å; Q246-L248 VanDerWaalsContact O-N 3.12Å; Q246-L248 VanDerWaalsContact OE1-CB 3.3Å; Q246-Q249 VanDerWaalsContact NE2-CB 3.34Å; Q246-Q249 VanDerWaalsContact NE2-N 3.14Å; Q246-Q249 PolarHBondContact O-N 2.91Å; Q246-R250 WeakPolarHBondContact O-CG 3.44Å; Q246-R250 PolarHBondContact O-N 3.23Å; Q246-Y317 PolarHBondContact NE2-OH 2.76Å
247	M	97	Very high	95.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-53.2	-39.8	-164.7	70	-166.3	-25.8	0	0	115.2	I187 Q189 F198 I200 F223 Y225 T251	I187-M247 WeakPolarHBondContact O-CB 3.26Å; Q189-M247 HydrophobicContact CB-CB 4.22Å; Q189-M247 HydrophobicContact CB-CE 4.13Å; Q189-M247 HydrophobicContact CB-SD 4.48Å; F198-M247 HydrophobicContact CB-CE 3.35Å; F198-M247 HydrophobicContact CB-SD 4.26Å; F198-M247 HydrophobicContact CD1-CE 3.86Å; F198-M247 HydrophobicContact CD2-CE 4.01Å; F198-M247 HydrophobicContact CD2-CG 4.27Å; F198-M247 HydrophobicContact CD2-SD 3.91Å; F198-M247 HydrophobicContact CE2-CG 4.24Å; F198-M247 HydrophobicContact CE2-SD 4.45Å; F198-M247 HydrophobicContact CG-CE 3.48Å; F198-M247 VanDerWaalsContact CG-CE 3.48Å; F198-M247 HydrophobicContact CG-CG 4.47Å; F198-M247 HydrophobicContact CG-SD 4.03Å; F198-M247 HydrophobicContact CZ-CG 4.39Å; I200-M247 HydrophobicContact CD1-CG 3.71Å; I200-M247 HydrophobicContact CD1-SD 3.91Å; I200-M247 HydrophobicContact CG1-CG 4.17Å; I200-M247 HydrophobicContact CG1-SD 3.65Å; F223-M247 HydrophobicContact CE2-SD 4.22Å; Y225-M247 HydrophobicContact CD2-CE 3.88Å; Y225-M247 HydrophobicContact CD2-SD 4.01Å; Y225-M247 HydrophobicContact CE2-CE 4.5Å; Y225-M247 HydrophobicContact CG-CE 4.32Å; Y225-M247 HydrophobicContact CG-SD 3.82Å; M247-T251 WeakPolarHBondContact O-CB 3.2Å; M247-T251 PolarHBondContact O-N 3.12Å; M247-T251 PolarHBondContact O-OG1 3.28Å
248	L	98.2	Very high	95.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-70.6	-43.2	179.7	-178.5	61.7	0	0	0	111.5	I200 I241 Q246 T251 L252 L304 F311 Y317 W319 L331	I200-L248 HydrophobicContact CD1-CB 3.8Å; I241-L248 HydrophobicContact CD1-CD2 4.09Å; I241-L248 HydrophobicContact CG1-CD2 4.01Å; Q246-L248 VanDerWaalsContact C-N 3.32Å; Q246-L248 PolarHBondContact O-N 2.85Å; Q246-L248 VanDerWaalsContact O-N 3.12Å; Q246-L248 VanDerWaalsContact OE1-CB 3.3Å; L248-T251 PolarHBondContact O-N 2.92Å; L248-L252 HydrophobicContact CD1-CD1 4.25Å; L248-L252 HydrophobicContact CG-CD1 4.43Å; L248-L252 WeakPolarHBondContact O-CG 3.36Å; L248-L252 PolarHBondContact O-N 2.83Å; L248-L252 VanDerWaalsContact O-N 3.08Å; L248-L304 HydrophobicContact CD1-CD1 4.25Å; L248-L304 HydrophobicContact CD1-CD2 3.73Å; L248-F311 HydrophobicContact CD1-CE1 4.24Å; L248-F311 HydrophobicContact CD1-CZ 4.44Å; L248-F311 HydrophobicContact CD2-CE1 3.99Å; L248-F311 HydrophobicContact CD2-CZ 3.67Å; L248-F311 HydrophobicContact CG-CE1 4.45Å; L248-F311 HydrophobicContact CG-CZ 4.18Å; L248-Y317 HydrophobicContact CG-CE2 4.27Å; L248-W319 HydrophobicContact CD2-CE3 4.41Å; L248-W319 HydrophobicContact CD2-CZ3 3.79Å; L248-L331 HydrophobicContact CD1-CD2 4.19Å; L248-L331 HydrophobicContact CD2-CD2 3.73Å
249	Q	97.3	Very high	95.3	Very high	14 Å²	14	28.4 Å²	28.4	7%	0.065	14%	0.144	C	C	.	.	H	α-helix	trans	-67.7	-43.6	176.9	-173.7	-83.6	-36.4	0	0	110.5	Q246 T251 L252 K253 Y317	Q246-Q249 VanDerWaalsContact NE2-CB 3.34Å; Q246-Q249 VanDerWaalsContact NE2-N 3.14Å; Q246-Q249 PolarHBondContact O-N 2.91Å; Q249-T251 VanDerWaalsContact C-N 3.3Å; Q249-T251 PolarHBondContact O-N 3.14Å; Q249-L252 CarbonylContact O-C 3.55Å; Q249-L252 PolarHBondContact O-N 2.78Å; Q249-K253 WeakPolarHBondContact O-CA 3.46Å; Q249-K253 WeakPolarHBondContact O-CB 3.31Å; Q249-K253 PolarHBondContact O-N 2.76Å; Q249-Y317 HydrophobicContact CB-CD1 4.01Å; Q249-Y317 HydrophobicContact CB-CD2 4.19Å; Q249-Y317 HydrophobicContact CB-CE1 3.75Å; Q249-Y317 HydrophobicContact CB-CE2 3.94Å; Q249-Y317 HydrophobicContact CB-CG 4.23Å; Q249-Y317 HydrophobicContact CG-CD1 3.61Å; Q249-Y317 HydrophobicContact CG-CD2 4.07Å; Q249-Y317 HydrophobicContact CG-CE1 3.9Å; Q249-Y317 HydrophobicContact CG-CE2 4.32Å; Q249-Y317 HydrophobicContact CG-CG 3.7Å
250	R	97.2	Very high	95.3	Very high	28 Å²	28	30.4 Å²	30.4	11%	0.106	17%	0.167	C	C	.	.	H	α-helix	trans	-57	-43.3	174.3	-68.9	-177.7	-173.8	-70.9	-7.8	111.9	I187 D192 D245 Q246 L252 K253 P254	I187-R250 HydrophobicContact CB-CB 3.87Å; I187-R250 HydrophobicContact CG1-CB 4.47Å; I187-R250 HydrophobicContact CG2-CB 3.67Å; I187-R250 HydrophobicContact CG2-CG 4.46Å; D192-R250 VanDerWaalsContact CG-NH1 3.33Å; D192-R250 WeakPolarHBondContact OD1-CD 3.27Å; D192-R250 IonicContact OD1-CZ 2.75Å; D192-R250 IonicContact OD1-NE 2.66Å; D192-R250 IonicContact OD1-NH1 2.72Å; D192-R250 PolarHBondContact OD1-NH1 3.39Å; D192-R250 IonicContact OD2-NH1 3.76Å; D192-R250 PolarHBondContact OD2-NH1 3.32Å; D245-R250 VanDerWaalsContact CA-NH2 3.3Å; D245-R250 VanDerWaalsContact CB-NH2 3.25Å; D245-R250 PolarHBondContact O-NE 2.67Å; D245-R250 PolarHBondContact O-NH2 3.44Å; D245-R250 IonicContact OD1-CZ 3.55Å; D245-R250 IonicContact OD1-NH1 2.81Å; D245-R250 IonicContact OD1-NH2 2.8Å; D245-R250 PolarHBondContact OD1-NH2 2.72Å; Q246-R250 WeakPolarHBondContact O-CG 3.44Å; Q246-R250 PolarHBondContact O-N 3.23Å; R250-L252 PolarHBondContact O-N 3.19Å; R250-K253 VanDerWaalsContact O-CB 3.26Å; R250-K253 WeakPolarHBondContact O-CB 3.35Å; R250-K253 PolarHBondContact O-N 2.66Å; R250-P254 WeakPolarHBondContact O-CD 3.11Å
251	T	97.7	Very high	95.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-41	176.8	-64.1	0	0	0	0	112.4	I187 F198 M247 L248 Q249 P254 M302	I187-T251 PolarHBondContact N-OG1 2.68Å; F198-T251 HydrophobicContact CE1-CG2 4.34Å; F198-T251 VanDerWaalsContact CE1-OG1 3.28Å; F198-T251 WeakPolarHBondContact CE1-OG1 3.5Å; F198-T251 HydrophobicContact CZ-CG2 4.37Å; M247-T251 WeakPolarHBondContact O-CB 3.2Å; M247-T251 PolarHBondContact O-N 3.12Å; M247-T251 PolarHBondContact O-OG1 3.28Å; L248-T251 PolarHBondContact O-N 2.92Å; Q249-T251 VanDerWaalsContact C-N 3.3Å; Q249-T251 PolarHBondContact O-N 3.14Å; T251-P254 WeakPolarHBondContact O-CD 3.43Å; T251-M302 HydrophobicContact CG2-CE 3.3Å; T251-M302 HydrophobicContact CG2-SD 3.71Å; T251-M302 WeakPolarHBondContact O-CE 3.45Å
252	L	97	Very high	94.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-87.8	-10	179.3	-62	174.4	0	0	0	113.5	L248 Q249 R250 Y255 Y256 M295 L304 F311 P312 Y317	L248-L252 HydrophobicContact CD1-CD1 4.25Å; L248-L252 HydrophobicContact CG-CD1 4.43Å; L248-L252 WeakPolarHBondContact O-CG 3.36Å; L248-L252 PolarHBondContact O-N 2.83Å; L248-L252 VanDerWaalsContact O-N 3.08Å; Q249-L252 CarbonylContact O-C 3.55Å; Q249-L252 PolarHBondContact O-N 2.78Å; R250-L252 PolarHBondContact O-N 3.19Å; L252-Y255 WeakPolarHBondContact O-CB 3.36Å; L252-Y255 PolarHBondContact O-N 3.34Å; L252-Y256 HydrophobicContact CB-CD2 3.93Å; L252-Y256 HydrophobicContact CB-CE2 3.64Å; L252-Y256 HydrophobicContact CD1-CE2 4.28Å; L252-Y256 VanDerWaalsContact O-CD2 3.26Å; L252-Y256 WeakPolarHBondContact O-CD2 3.48Å; L252-Y256 PolarHBondContact O-N 2.84Å; L252-M295 HydrophobicContact CD2-CE 3.69Å; L252-L304 HydrophobicContact CD2-CD2 4.45Å; L252-F311 HydrophobicContact CD1-CE1 4.14Å; L252-F311 HydrophobicContact CD1-CZ 3.9Å; L252-P312 HydrophobicContact CD1-CB 3.84Å; L252-P312 HydrophobicContact CD1-CG 3.94Å; L252-P312 HydrophobicContact CD2-CG 4.35Å; L252-Y317 HydrophobicContact CD1-CD2 4.11Å; L252-Y317 HydrophobicContact CD1-CE2 4.04Å
253	K	95.4	Very high	94.4	Very high	69 Å²	69	40.5 Å²	40.5	30%	0.3	23%	0.23	S	C	.	.	H	α-helix	trans	-55.2	-42.9	-176.8	-177.7	169.5	171.8	45.1	0	114	Q249 R250 Y255 Y256 D257	Q249-K253 WeakPolarHBondContact O-CA 3.46Å; Q249-K253 WeakPolarHBondContact O-CB 3.31Å; Q249-K253 PolarHBondContact O-N 2.76Å; R250-K253 VanDerWaalsContact O-CB 3.26Å; R250-K253 WeakPolarHBondContact O-CB 3.35Å; R250-K253 PolarHBondContact O-N 2.66Å; K253-Y255 PolarHBondContact O-N 2.76Å; K253-Y256 PolarHBondContact O-N 3.08Å; K253-Y256 VanDerWaalsContact O-N 3.11Å; K253-D257 VanDerWaalsContact CE-OD2 3.28Å; K253-D257 WeakPolarHBondContact CE-OD2 3.43Å; K253-D257 WeakPolarHBondContact CG-OD2 3.38Å; K253-D257 IonicContact NZ-OD1 3.99Å; K253-D257 PolarHBondContact NZ-OD1 3.14Å; K253-D257 IonicContact NZ-OD2 3.09Å; K253-D257 PolarHBondContact NZ-OD2 3.19Å; K253-D257 WeakPolarHBondContact O-CB 3.34Å; K253-D257 PolarHBondContact O-N 2.88Å
254	P	93.3	Very high	94	Very high	12 Å²	12	43.4 Å²	43.4	8%	0.078	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-39	-178.7	-19.9	29.9	0	0	0	111.9	A181 Y184 R250 T251 A258	A181-P254 HydrophobicContact CB-CG 4.42Å; A181-P254 VanDerWaalsContact O-CG 3.23Å; A181-P254 WeakPolarHBondContact O-CG 3.22Å; Y184-P254 HydrophobicContact CE1-CB 4.15Å; R250-P254 WeakPolarHBondContact O-CD 3.11Å; T251-P254 WeakPolarHBondContact O-CD 3.43Å; P254-A258 WeakPolarHBondContact O-CB 3.49Å; P254-A258 PolarHBondContact O-N 3.18Å; P254-A258 VanDerWaalsContact O-N 3.12Å
255	Y	94.3	Very high	93.7	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-50.1	175	168.2	-99.2	0	0	0	112	L252 K253 D257 A258 V259 R272 W274 M295 T314	L252-Y255 WeakPolarHBondContact O-CB 3.36Å; L252-Y255 PolarHBondContact O-N 3.34Å; K253-Y255 PolarHBondContact O-N 2.76Å; Y255-D257 PolarHBondContact O-N 3.17Å; Y255-A258 WeakPolarHBondContact O-CB 3.46Å; Y255-A258 PolarHBondContact O-N 3.2Å; Y255-V259 HydrophobicContact CD1-CG2 4.49Å; Y255-V259 HydrophobicContact CD2-CG2 4.46Å; Y255-V259 HydrophobicContact CE1-CG2 4.01Å; Y255-V259 HydrophobicContact CE2-CG2 4.01Å; Y255-V259 WeakPolarHBondContact O-CG2 3.22Å; Y255-V259 PolarHBondContact O-N 3.09Å; Y255-R272 VanDerWaalsContact CE2-NH1 3.31Å; Y255-W274 HydrophobicContact CD2-CH2 4.22Å; Y255-W274 HydrophobicContact CD2-CZ2 4.38Å; Y255-W274 HydrophobicContact CE1-CZ2 4.38Å; Y255-W274 HydrophobicContact CE2-CH2 4.13Å; Y255-W274 HydrophobicContact CE2-CZ2 4.13Å; Y255-M295 HydrophobicContact CD2-SD 4.35Å; Y255-M295 HydrophobicContact CG-SD 4.21Å; Y255-T314 VanDerWaalsContact CE1-O 3.29Å; Y255-T314 WeakPolarHBondContact CE1-O 3.42Å; Y255-T314 PolarHBondContact OH-O 3.38Å
256	Y	95.3	Very high	93.4	Very high	15 Å²	15	40.2 Å²	40.2	6%	0.059	22%	0.224	C	C	.	.	H	α-helix	trans	-69	-33.9	-177.5	-70.1	-59.9	0	0	0	113.1	L252 K253 A258 V259 A260 P312 P313 A316 Y317	L252-Y256 HydrophobicContact CB-CD2 3.93Å; L252-Y256 HydrophobicContact CB-CE2 3.64Å; L252-Y256 HydrophobicContact CD1-CE2 4.28Å; L252-Y256 VanDerWaalsContact O-CD2 3.26Å; L252-Y256 WeakPolarHBondContact O-CD2 3.48Å; L252-Y256 PolarHBondContact O-N 2.84Å; K253-Y256 PolarHBondContact O-N 3.08Å; K253-Y256 VanDerWaalsContact O-N 3.11Å; Y256-A258 VanDerWaalsContact C-N 3.32Å; Y256-V259 PolarHBondContact O-N 2.94Å; Y256-A260 VanDerWaalsContact O-CB 3.28Å; Y256-A260 WeakPolarHBondContact O-CB 3.44Å; Y256-A260 PolarHBondContact O-N 3.19Å; Y256-P312 WeakPolarHBondContact OH-CB 3.49Å; Y256-P313 WeakPolarHBondContact CE1-O 3.23Å; Y256-P313 PolarHBondContact OH-O 3.35Å; Y256-A316 VanDerWaalsContact CE1-CA 3.45Å; Y256-Y317 AromaticContact CE2-CD2 3.88Å; Y256-Y317 HydrophobicContact CE2-CD2 3.88Å; Y256-Y317 HydrophobicContact CE2-CG 4.31Å
257	D	93.8	Very high	93.1	Very high	44 Å²	44	41.8 Å²	41.8	24%	0.235	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-39.2	172.5	-72.8	-7.4	0	0	0	110.6	K253 Y255 N261	K253-D257 VanDerWaalsContact CE-OD2 3.28Å; K253-D257 WeakPolarHBondContact CE-OD2 3.43Å; K253-D257 WeakPolarHBondContact CG-OD2 3.38Å; K253-D257 IonicContact NZ-OD1 3.99Å; K253-D257 PolarHBondContact NZ-OD1 3.14Å; K253-D257 IonicContact NZ-OD2 3.09Å; K253-D257 PolarHBondContact NZ-OD2 3.19Å; K253-D257 WeakPolarHBondContact O-CB 3.34Å; K253-D257 PolarHBondContact O-N 2.88Å; Y255-D257 PolarHBondContact O-N 3.17Å; D257-N261 VanDerWaalsContact O-CB 3.26Å; D257-N261 WeakPolarHBondContact O-CB 3.5Å; D257-N261 VanDerWaalsContact O-CG 3.32Å; D257-N261 PolarHBondContact O-N 3.06Å; D257-N261 PolarHBondContact O-ND2 3.01Å
258	A	92.7	Very high	92.8	Very high	6 Å²	6	50 Å²	50	5%	0.05	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-38.7	174.5	0	0	0	0	0	112.4	P254 Y255 Y256 A262 N263 D266 L267	P254-A258 WeakPolarHBondContact O-CB 3.49Å; P254-A258 PolarHBondContact O-N 3.18Å; P254-A258 VanDerWaalsContact O-N 3.12Å; Y255-A258 WeakPolarHBondContact O-CB 3.46Å; Y255-A258 PolarHBondContact O-N 3.2Å; Y256-A258 VanDerWaalsContact C-N 3.32Å; A258-A262 PolarHBondContact O-N 3.1Å; A258-N263 HydrophobicContact CB-CB 4.37Å; A258-N263 PolarHBondContact O-N 3.38Å; A258-D266 HydrophobicContact CB-CB 4.1Å; A258-L267 HydrophobicContact CB-CD2 3.77Å; A258-L267 HydrophobicContact CB-CG 4.15Å
259	V	93.1	Very high	92.6	Very high	35 Å²	35	53.6 Å²	53.6	21%	0.212	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-51.9	175.1	172.9	0	0	0	0	110.9	Y255 Y256 N261 A262 L267	Y255-V259 HydrophobicContact CD1-CG2 4.49Å; Y255-V259 HydrophobicContact CD2-CG2 4.46Å; Y255-V259 HydrophobicContact CE1-CG2 4.01Å; Y255-V259 HydrophobicContact CE2-CG2 4.01Å; Y255-V259 WeakPolarHBondContact O-CG2 3.22Å; Y255-V259 PolarHBondContact O-N 3.09Å; Y256-V259 PolarHBondContact O-N 2.94Å; V259-N261 VanDerWaalsContact C-N 3.33Å; V259-N261 PolarHBondContact O-N 3.33Å; V259-A262 PolarHBondContact O-N 3Å; V259-L267 HydrophobicContact CG2-CD2 3.82Å
260	A	93.3	Very high	92.4	Very high	85 Å²	85	53 Å²	53	70%	0.702	28%	0.28	S	S	*	.	H	α-helix	trans	-62	-38.9	-177.3	0	0	0	0	0	112.6	Y256 A262	Y256-A260 VanDerWaalsContact O-CB 3.28Å; Y256-A260 WeakPolarHBondContact O-CB 3.44Å; Y256-A260 PolarHBondContact O-N 3.19Å; A260-A262 VanDerWaalsContact C-N 3.26Å; A260-A262 PolarHBondContact O-N 2.92Å
261	N	91.6	Very high	92.4	Very high	126 Å²	126	51.6 Å²	51.6	67%	0.674	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	2.8	177.2	-65.2	-49.2	0	0	0	113.4	D257 V259 N263	D257-N261 VanDerWaalsContact O-CB 3.26Å; D257-N261 WeakPolarHBondContact O-CB 3.5Å; D257-N261 VanDerWaalsContact O-CG 3.32Å; D257-N261 PolarHBondContact O-N 3.06Å; D257-N261 PolarHBondContact O-ND2 3.01Å; V259-N261 VanDerWaalsContact C-N 3.33Å; V259-N261 PolarHBondContact O-N 3.33Å; N261-N263 PolarHBondContact O-N 2.97Å; N261-N263 VanDerWaalsContact O-N 3.12Å
262	A	87.8	Confident	92.3	Very high	66 Å²	66	52.7 Å²	52.7	55%	0.545	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	39	-173.2	0	0	0	0	0	112.9	A258 V259 A260 K264	A258-A262 PolarHBondContact O-N 3.1Å; V259-A262 PolarHBondContact O-N 3Å; A260-A262 VanDerWaalsContact C-N 3.26Å; A260-A262 PolarHBondContact O-N 2.92Å; A262-K264 VanDerWaalsContact C-N 3.31Å; A262-K264 PolarHBondContact O-N 3.08Å
263	N	88.9	Confident	92.3	Very high	73 Å²	73	52.7 Å²	52.7	39%	0.39	28%	0.279	S	S	.	.			trans	-71.3	86.3	-177.4	-174.7	-11.6	0	0	0	110	A258 N261 D265 D266 L267	A258-N263 HydrophobicContact CB-CB 4.37Å; A258-N263 PolarHBondContact O-N 3.38Å; N261-N263 PolarHBondContact O-N 2.97Å; N261-N263 VanDerWaalsContact O-N 3.12Å; N263-D265 PolarHBondContact O-N 2.86Å; N263-D265 PolarHBondContact OD1-N 2.91Å; N263-D266 HydrophobicContact CB-CB 4.3Å; N263-D266 PolarHBondContact O-N 3.18Å; N263-D266 PolarHBondContact OD1-N 2.84Å; N263-L267 VanDerWaalsContact O-CG 3.24Å; N263-L267 WeakPolarHBondContact O-CG 3.36Å; N263-L267 PolarHBondContact O-N 3.13Å
264	K	87.2	Confident	92.3	Very high	150 Å²	150	49.4 Å²	49.4	65%	0.652	27%	0.265	S	S	*	.	H	α-helix	trans	-58.6	-32	-175.3	-69.4	-178.9	-177.6	173.6	0	113.1	A262 R268	A262-K264 VanDerWaalsContact C-N 3.31Å; A262-K264 PolarHBondContact O-N 3.08Å; K264-R268 VanDerWaalsContact O-CB 3.22Å; K264-R268 WeakPolarHBondContact O-CB 3.4Å; K264-R268 VanDerWaalsContact O-CD 3.3Å; K264-R268 WeakPolarHBondContact O-CD 3.43Å; K264-R268 WeakPolarHBondContact O-CG 3.32Å; K264-R268 PolarHBondContact O-N 3.45Å; K264-R268 VanDerWaalsContact O-N 3.07Å
265	D	88.1	Confident	92.4	Very high	100 Å²	100	48.9 Å²	48.9	54%	0.535	26%	0.261	S	S	.	.	H	α-helix	trans	-69.3	-51.5	-179.5	-173.1	72.6	0	0	0	110.6	N263 L267 R268 N269	N263-D265 PolarHBondContact O-N 2.86Å; N263-D265 PolarHBondContact OD1-N 2.91Å; D265-L267 PolarHBondContact O-N 2.97Å; D265-R268 PolarHBondContact O-N 3.08Å; D265-N269 VanDerWaalsContact CG-ND2 3.25Å; D265-N269 WeakPolarHBondContact O-CB 3.41Å; D265-N269 PolarHBondContact O-N 3.33Å; D265-N269 PolarHBondContact O-ND2 2.79Å; D265-N269 PolarHBondContact OD1-ND2 2.84Å; D265-N269 PolarHBondContact OD2-ND2 3.12Å
266	D	87.3	Confident	92.4	Very high	17 Å²	17	48.8 Å²	48.8	9%	0.091	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-46.8	178.4	-165.5	84.6	0	0	0	111.8	Y184 A258 N263 R268 N269 T270 K297	Y184-D266 PolarHBondContact OH-OD2 3.48Å; A258-D266 HydrophobicContact CB-CB 4.1Å; N263-D266 HydrophobicContact CB-CB 4.3Å; N263-D266 PolarHBondContact O-N 3.18Å; N263-D266 PolarHBondContact OD1-N 2.84Å; D266-R268 VanDerWaalsContact C-N 3.26Å; D266-R268 PolarHBondContact O-N 2.82Å; D266-N269 PolarHBondContact O-N 2.94Å; D266-T270 VanDerWaalsContact O-CB 3.32Å; D266-T270 WeakPolarHBondContact O-CB 3.46Å; D266-T270 PolarHBondContact O-N 3.43Å; D266-T270 PolarHBondContact O-OG1 2.79Å; D266-T270 PolarHBondContact OD2-OG1 3.45Å; D266-K297 IonicContact OD1-NZ 3.12Å; D266-K297 PolarHBondContact OD1-NZ 2.88Å
267	L	88.6	Confident	92.2	Very high	34 Å²	34	48.6 Å²	48.6	18%	0.178	26%	0.262	C	S	.	.	H	α-helix	trans	-62.1	-33.6	179.2	-62.3	171.6	0	0	0	112.2	A258 V259 N263 D265 R272 N359	A258-L267 HydrophobicContact CB-CD2 3.77Å; A258-L267 HydrophobicContact CB-CG 4.15Å; V259-L267 HydrophobicContact CG2-CD2 3.82Å; N263-L267 VanDerWaalsContact O-CG 3.24Å; N263-L267 WeakPolarHBondContact O-CG 3.36Å; N263-L267 PolarHBondContact O-N 3.13Å; D265-L267 PolarHBondContact O-N 2.97Å; L267-R272 PolarHBondContact O-NH2 3.46Å; L267-N359 PolarHBondContact O-ND2 2.81Å; L267-N359 VanDerWaalsContact O-ND2 3.1Å
268	R	91.4	Very high	91.8	Very high	173 Å²	173	51.5 Å²	51.5	65%	0.653	27%	0.274	S	S	*	.	H	α-helix	trans	-76.6	-37.7	178.2	-77.4	171.9	-179.3	-154.9	-2.4	112.4	K264 D265 D266 N359 P361	K264-R268 VanDerWaalsContact O-CB 3.22Å; K264-R268 WeakPolarHBondContact O-CB 3.4Å; K264-R268 VanDerWaalsContact O-CD 3.3Å; K264-R268 WeakPolarHBondContact O-CD 3.43Å; K264-R268 WeakPolarHBondContact O-CG 3.32Å; K264-R268 PolarHBondContact O-N 3.45Å; K264-R268 VanDerWaalsContact O-N 3.07Å; D265-R268 PolarHBondContact O-N 3.08Å; D266-R268 VanDerWaalsContact C-N 3.26Å; D266-R268 PolarHBondContact O-N 2.82Å; R268-N359 PolarHBondContact O-ND2 2.77Å; R268-N359 VanDerWaalsContact O-ND2 3.17Å; R268-P361 WeakPolarHBondContact O-CG 3.17Å
269	N	92.4	Very high	91.1	Very high	75 Å²	75	53.1 Å²	53.1	40%	0.401	29%	0.285	S	S	.	.	H	α-helix	trans	-91.2	-11.2	-172	-64.7	-31.1	0	0	0	113.8	D265 D266 P361	D265-N269 VanDerWaalsContact CG-ND2 3.25Å; D265-N269 WeakPolarHBondContact O-CB 3.41Å; D265-N269 PolarHBondContact O-N 3.33Å; D265-N269 PolarHBondContact O-ND2 2.79Å; D265-N269 PolarHBondContact OD1-ND2 2.84Å; D265-N269 PolarHBondContact OD2-ND2 3.12Å; D266-N269 PolarHBondContact O-N 2.94Å; N269-P361 VanDerWaalsContact O-CG 3.29Å; N269-P361 WeakPolarHBondContact O-CG 3.36Å
270	T	94.3	Very high	90.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-88.5	121.4	175.6	-59	0	0	0	0	111.5	Y184 D266 R272 S296 N359	Y184-T270 HydrophobicContact CD1-CG2 4.42Å; Y184-T270 HydrophobicContact CD2-CG2 3.9Å; Y184-T270 HydrophobicContact CE1-CG2 3.89Å; Y184-T270 HydrophobicContact CE2-CG2 3.33Å; Y184-T270 VanDerWaalsContact CE2-OG1 3.27Å; Y184-T270 WeakPolarHBondContact CE2-OG1 3.2Å; Y184-T270 HydrophobicContact CG-CG2 4.41Å; Y184-T270 PolarHBondContact OH-OG1 2.69Å; D266-T270 VanDerWaalsContact O-CB 3.32Å; D266-T270 WeakPolarHBondContact O-CB 3.46Å; D266-T270 PolarHBondContact O-N 3.43Å; D266-T270 PolarHBondContact O-OG1 2.79Å; D266-T270 PolarHBondContact OD2-OG1 3.45Å; T270-R272 HydrophobicContact CG2-CG 3.83Å; T270-R272 PolarHBondContact O-N 3.22Å; T270-S296 CarbonylContact C-O 3.42Å; T270-N359 PolarHBondContact O-ND2 3.3Å
271	M	96.4	Very high	89.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	129.9	166.9	-168.2	-168.1	66.9	0	0	109.7	I273 I294 M295 S296 L341 N359 L360 Y364 Y369	M271-I273 HydrophobicContact CE-CD1 4.36Å; M271-I273 HydrophobicContact CG-CG1 4.5Å; M271-I273 HydrophobicContact SD-CD1 4.14Å; M271-I294 HydrophobicContact CE-CG2 3.45Å; M271-I294 VanDerWaalsContact CE-CG2 3.45Å; M271-M295 CarbonylContact O-C 3.55Å; M271-M295 VanDerWaalsContact O-CA 3.26Å; M271-M295 WeakPolarHBondContact O-CA 3.24Å; M271-S296 PolarHBondContact N-O 2.93Å; M271-S296 PolarHBondContact O-N 2.82Å; M271-L341 HydrophobicContact CE-CD2 3.75Å; M271-N359 WeakPolarHBondContact CA-O 3.12Å; M271-L360 HydrophobicContact CG-CD2 3.73Å; M271-L360 HydrophobicContact SD-CD2 4.04Å; M271-Y364 HydrophobicContact CB-CD1 4.08Å; M271-Y364 HydrophobicContact CB-CD2 3.64Å; M271-Y364 HydrophobicContact CB-CE1 4.1Å; M271-Y364 HydrophobicContact CB-CE2 3.67Å; M271-Y364 HydrophobicContact CB-CG 3.83Å; M271-Y364 HydrophobicContact CE-CD1 4.33Å; M271-Y364 HydrophobicContact CE-CE1 4.3Å; M271-Y364 HydrophobicContact CG-CD1 4Å; M271-Y364 HydrophobicContact CG-CD2 4.12Å; M271-Y364 HydrophobicContact CG-CE1 4.42Å; M271-Y364 HydrophobicContact CG-CG 3.8Å; M271-Y364 HydrophobicContact SD-CD1 3.21Å; M271-Y364 WeakPolarHBondContact SD-CD1 3.41Å; M271-Y364 HydrophobicContact SD-CD2 4.4Å; M271-Y364 HydrophobicContact SD-CE1 3.73Å; M271-Y364 HydrophobicContact SD-CG 3.59Å; M271-Y364 VanDerWaalsContact SD-CG 3.59Å; M271-Y369 HydrophobicContact CE-CD1 4.26Å; M271-Y369 HydrophobicContact CE-CE1 4.17Å; M271-Y369 HydrophobicContact SD-CD1 3.61Å; M271-Y369 HydrophobicContact SD-CE1 3.93Å; M271-Y369 HydrophobicContact SD-CG 4.13Å
272	R	96.3	Very high	88.3	Confident	23 Å²	23	53.2 Å²	53.2	9%	0.087	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	124.7	-175.3	-77.6	-179.6	-64.2	170.6	10.9	109.4	Y255 L267 T270 W274 I294 M295 Q358 N359	Y255-R272 VanDerWaalsContact CE2-NH1 3.31Å; L267-R272 PolarHBondContact O-NH2 3.46Å; T270-R272 HydrophobicContact CG2-CG 3.83Å; T270-R272 PolarHBondContact O-N 3.22Å; R272-W274 VanDerWaalsContact CA-CZ3 3.45Å; R272-W274 HydrophobicContact CB-CE3 3.99Å; R272-W274 HydrophobicContact CB-CH2 3.86Å; R272-W274 HydrophobicContact CB-CZ3 3.19Å; R272-W274 HydrophobicContact CG-CH2 3.75Å; R272-W274 HydrophobicContact CG-CZ3 3.6Å; R272-I294 WeakPolarHBondContact CA-O 3.12Å; R272-M295 HydrophobicContact CG-CG 4.31Å; R272-Q358 CarbonylContact O-C 3.57Å; R272-Q358 WeakPolarHBondContact O-CA 3.45Å; R272-N359 HydrophobicContact CB-CB 4.07Å; R272-N359 PolarHBondContact N-O 2.95Å; R272-N359 PolarHBondContact O-N 2.74Å
273	I	97.1	Very high	87.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	116.7	176.9	-52.8	179.2	0	0	0	109.7	M271 Y275 V293 I294 V355 L360 L372 V373	M271-I273 HydrophobicContact CE-CD1 4.36Å; M271-I273 HydrophobicContact CG-CG1 4.5Å; M271-I273 HydrophobicContact SD-CD1 4.14Å; I273-Y275 HydrophobicContact CG2-CD1 4.45Å; I273-V293 CarbonylContact O-C 3.41Å; I273-V293 WeakPolarHBondContact O-CA 3.36Å; I273-I294 HydrophobicContact CB-CB 4.31Å; I273-I294 PolarHBondContact N-O 3.02Å; I273-I294 PolarHBondContact O-N 2.7Å; I273-V355 HydrophobicContact CG2-CG1 3.87Å; I273-V355 HydrophobicContact CG2-CG2 3.84Å; I273-L360 HydrophobicContact CD1-CD2 4.14Å; I273-L360 HydrophobicContact CG1-CD2 4.42Å; I273-L372 HydrophobicContact CD1-CD2 3.87Å; I273-L372 HydrophobicContact CG2-CD2 4.22Å; I273-V373 HydrophobicContact CD1-CG2 3.97Å; I273-V373 HydrophobicContact CG1-CG2 4.28Å
274	W	96.2	Very high	86.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.2	174.6	-69.1	-133.8	0	0	0	107.1	Y255 R272 G292 V293 M295 V355 Y356 W357	Y255-W274 HydrophobicContact CD2-CH2 4.22Å; Y255-W274 HydrophobicContact CD2-CZ2 4.38Å; Y255-W274 HydrophobicContact CE1-CZ2 4.38Å; Y255-W274 HydrophobicContact CE2-CH2 4.13Å; Y255-W274 HydrophobicContact CE2-CZ2 4.13Å; R272-W274 VanDerWaalsContact CA-CZ3 3.45Å; R272-W274 HydrophobicContact CB-CE3 3.99Å; R272-W274 HydrophobicContact CB-CH2 3.86Å; R272-W274 HydrophobicContact CB-CZ3 3.19Å; R272-W274 HydrophobicContact CG-CH2 3.75Å; R272-W274 HydrophobicContact CG-CZ3 3.6Å; W274-G292 WeakPolarHBondContact CA-O 2.8Å; W274-V293 HydrophobicContact CD2-CG1 4.03Å; W274-V293 HydrophobicContact CD2-CG2 4.38Å; W274-V293 HydrophobicContact CE3-CG1 4.14Å; W274-V293 HydrophobicContact CG-CG2 4.28Å; W274-V293 HydrophobicContact CH2-CG1 3.74Å; W274-V293 HydrophobicContact CZ2-CG1 3.78Å; W274-V293 HydrophobicContact CZ3-CG1 3.85Å; W274-M295 HydrophobicContact CH2-CG 3.68Å; W274-M295 HydrophobicContact CH2-SD 3.66Å; W274-M295 HydrophobicContact CZ2-SD 4.3Å; W274-M295 HydrophobicContact CZ3-CG 4.04Å; W274-V355 WeakPolarHBondContact O-CA 3.41Å; W274-Y356 HydrophobicContact CB-CD1 4.26Å; W274-Y356 HydrophobicContact CB-CE1 3.64Å; W274-Y356 HydrophobicContact CB-CE2 4.01Å; W274-Y356 AromaticContact CD1-CZ 3.99Å; W274-Y356 WeakPolarHBondContact O-CD1 3.45Å; W274-Y356 PolarHBondContact O-N 2.9Å; W274-W357 HydrophobicContact CB-CB 3.95Å; W274-W357 AromaticContact CD2-CD1 3.95Å; W274-W357 AromaticContact CE3-CD1 3.93Å; W274-W357 HydrophobicContact CG-CB 4.13Å; W274-W357 PolarHBondContact N-O 3.43Å
275	Y	94.7	Very high	86.1	Confident	1 Å²	1	56.1 Å²	56.1	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.1	-179.8	59	-85.6	0	0	0	111.3	I273 N290 Q291 G292 I294 W303 L348 P353 V354	I273-Y275 HydrophobicContact CG2-CD1 4.45Å; Y275-N290 HydrophobicContact CE2-CB 4.19Å; Y275-Q291 WeakPolarHBondContact O-CA 3.26Å; Y275-G292 VanDerWaalsContact CD1-O 3.3Å; Y275-G292 WeakPolarHBondContact CD1-O 3.26Å; Y275-G292 VanDerWaalsContact CE1-C 3.49Å; Y275-G292 WeakPolarHBondContact CE1-O 3.46Å; Y275-G292 VanDerWaalsContact CE2-N 3.34Å; Y275-G292 PolarHBondContact N-O 2.68Å; Y275-G292 PolarHBondContact O-N 2.82Å; Y275-I294 HydrophobicContact CE1-CD1 4.31Å; Y275-I294 HydrophobicContact CE1-CG1 4.28Å; Y275-W303 PolarHBondContact OH-NE1 3.47Å; Y275-L348 HydrophobicContact CE1-CD2 4.23Å; Y275-L348 HydrophobicContact CE2-CD1 4.38Å; Y275-P353 HydrophobicContact CD2-CB 3.67Å; Y275-P353 HydrophobicContact CD2-CG 4.48Å; Y275-P353 HydrophobicContact CE2-CB 4.43Å; Y275-P353 HydrophobicContact CG-CB 4.01Å; Y275-V354 CarbonylContact C-O 3.27Å; Y275-V354 WeakPolarHBondContact CA-O 3.49Å; Y275-V354 WeakPolarHBondContact CB-O 3.38Å
276	S	93.8	Very high	85.6	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.007	30%	0.304	C	S	.	.			trans	-164.6	137.9	176.5	175.3	0	0	0	0	109.5	H278 S279 Q291 V354	S276-H278 PolarHBondContact O-N 3.17Å; S276-H278 VanDerWaalsContact O-N 3.15Å; S276-H278 PolarHBondContact OG-N 2.94Å; S276-S279 PolarHBondContact O-N 2.88Å; S276-S279 PolarHBondContact O-OG 2.64Å; S276-Q291 PolarHBondContact OG-OE1 2.87Å; S276-V354 PolarHBondContact N-O 2.68Å; S276-V354 WeakPolarHBondContact O-CB 3.19Å
277	P	90.3	Very high	85.4	Confident	12 Å²	12	56.4 Å²	56.4	8%	0.078	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.5	178.1	28.7	-35.5	0	0	0	113.7	K287 S288 N290	P277-K287 HydrophobicContact CB-CB 3.93Å; P277-K287 HydrophobicContact CB-CD 3.88Å; P277-K287 WeakPolarHBondContact O-CD 3.07Å; P277-K287 PolarHBondContact O-NZ 3.03Å; P277-S288 WeakPolarHBondContact CB-O 3.45Å; P277-N290 WeakPolarHBondContact CD-O 3.09Å
278	H	85.7	Confident	85.3	Confident	105 Å²	105	54.9 Å²	54.9	49%	0.486	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-7.5	-175.1	-57.4	106.6	0	0	0	113.8	S276 Q291 M309	S276-H278 PolarHBondContact O-N 3.17Å; S276-H278 VanDerWaalsContact O-N 3.15Å; S276-H278 PolarHBondContact OG-N 2.94Å; H278-Q291 PolarHBondContact ND1-OE1 3.43Å; H278-M309 HydrophobicContact CB-CE 3.96Å
279	S	78.3	Confident	85.3	Confident	40 Å²	40	48.5 Å²	48.5	28%	0.28	28%	0.283	S	S	.	.	S	Bend	trans	-72.3	-31.3	-176.5	57.3	0	0	0	0	114	S276 V354	S276-S279 PolarHBondContact O-N 2.88Å; S276-S279 PolarHBondContact O-OG 2.64Å; S279-V354 WeakPolarHBondContact OG-CG1 3.44Å
280	I	75	Confident	85.3	Confident	83 Å²	83	45.1 Å²	45.1	43%	0.426	27%	0.265	S	S	.	.	S	Bend	trans	-136.6	131.9	-177	-60.3	173.6	0	0	0	108.4	L282 K287 V354	I280-L282 HydrophobicContact CG2-CD2 3.88Å; I280-L282 HydrophobicContact CG2-CG 4.14Å; I280-L282 PolarHBondContact O-N 3.12Å; I280-K287 PolarHBondContact O-NZ 2.75Å; I280-V354 HydrophobicContact CB-CG1 4.28Å; I280-V354 HydrophobicContact CD1-CG1 4.09Å; I280-V354 HydrophobicContact CG1-CG1 4.33Å
281	A	71.9	Confident	85.3	Confident	90 Å²	90	45.4 Å²	45.4	74%	0.744	27%	0.267	S	S	*	.			trans	-73	114.9	169.7	0	0	0	0	0	109.7	P283	A281-P283 WeakPolarHBondContact O-CD 3.48Å
282	L	72.1	Confident	85.3	Confident	75 Å²	75	45.4 Å²	45.4	39%	0.393	27%	0.267	S	S	.	.			trans	-117.6	89.5	171.7	-58.8	173.1	0	0	0	107.5	I280 N284 C285 K287 V354	I280-L282 HydrophobicContact CG2-CD2 3.88Å; I280-L282 HydrophobicContact CG2-CG 4.14Å; I280-L282 PolarHBondContact O-N 3.12Å; L282-N284 PolarHBondContact O-N 2.99Å; L282-C285 HydrophobicContact CB-CB 3.94Å; L282-C285 PolarHBondContact O-N 2.84Å; L282-K287 VanDerWaalsContact CB-CE 3.48Å; L282-V354 HydrophobicContact CD1-CG2 4.21Å
283	P	72.4	Confident	85.4	Confident	109 Å²	109	44.3 Å²	44.3	71%	0.708	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	137.5	176.9	-20.6	31.8	0	0	0	110.2	A281 C285	A281-P283 WeakPolarHBondContact O-CD 3.48Å; P283-C285 PolarHBondContact O-N 3.36Å; P283-C285 VanDerWaalsContact O-N 3.13Å
284	N	71.3	Confident	85.4	Confident	170 Å²	170	44.3 Å²	44.3	91%	0.909	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	8	175.6	-50.1	-37.4	0	0	0	116.8	L282	L282-N284 PolarHBondContact O-N 2.99Å
285	C	74.8	Confident	85.5	Confident	70 Å²	70	44.3 Å²	44.3	47%	0.473	26%	0.263	S	S	.	.			trans	-102.1	117.7	173.8	-168.6	0	0	0	0	109.9	L282 P283 K287	L282-C285 HydrophobicContact CB-CB 3.94Å; L282-C285 PolarHBondContact O-N 2.84Å; P283-C285 PolarHBondContact O-N 3.36Å; P283-C285 VanDerWaalsContact O-N 3.13Å; C285-K287 PolarHBondContact O-N 2.63Å; C285-K287 VanDerWaalsContact O-N 3.15Å
286	P	77.5	Confident	85.6	Confident	72 Å²	72	44.2 Å²	44.2	47%	0.468	26%	0.262	S	S	.	.			trans	-61.3	115.6	170.3	-21.2	33	0	0	0	110
287	K	83.3	Confident	85.5	Confident	51 Å²	51	46.3 Å²	46.3	22%	0.222	27%	0.271	C	S	.	.			trans	-98.3	144.9	179.1	-60.2	174.8	-176	173.2	0	110.2	P277 I280 L282 C285 V354	P277-K287 HydrophobicContact CB-CB 3.93Å; P277-K287 HydrophobicContact CB-CD 3.88Å; P277-K287 WeakPolarHBondContact O-CD 3.07Å; P277-K287 PolarHBondContact O-NZ 3.03Å; I280-K287 PolarHBondContact O-NZ 2.75Å; L282-K287 VanDerWaalsContact CB-CE 3.48Å; C285-K287 PolarHBondContact O-N 2.63Å; C285-K287 VanDerWaalsContact O-N 3.15Å; K287-V354 HydrophobicContact CD-CG2 4.26Å; K287-V354 HydrophobicContact CG-CG2 4.34Å
288	S	87.1	Confident	85.4	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.014	30%	0.299	C	S	.	.			trans	-60.6	136	163.4	174.2	0	0	0	0	109.8	P277 N290 E351	P277-S288 WeakPolarHBondContact CB-O 3.45Å; S288-N290 PolarHBondContact O-N 3.14Å; S288-N290 VanDerWaalsContact OG-CB 3.3Å; S288-N290 WeakPolarHBondContact OG-CB 3.41Å; S288-N290 PolarHBondContact OG-N 3.33Å; S288-N290 VanDerWaalsContact OG-N 3.12Å; S288-E351 WeakPolarHBondContact CB-O 3.28Å
289	P	91	Very high	85.5	Confident	39 Å²	39	50.6 Å²	50.6	25%	0.253	30%	0.297	S	S	.	.			trans	-71	-8.2	174	32.4	-36.1	0	0	0	112.3	Q291 L487 P498	P289-Q291 WeakPolarHBondContact O-CG 3.39Å; P289-L487 HydrophobicContact CB-CB 4.14Å; P289-L487 WeakPolarHBondContact CB-O 3.03Å; P289-L487 HydrophobicContact CG-CB 4.17Å; P289-L487 VanDerWaalsContact CG-O 3.26Å; P289-L487 WeakPolarHBondContact CG-O 3.39Å; P289-P498 WeakPolarHBondContact CD-O 3.49Å
290	N	91.4	Very high	86.2	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.021	29%	0.285	C	S	.	.			trans	-67.8	142.2	-172.8	-81.7	15.4	0	0	0	113.6	Y275 P277 S288 E351 L487 S500	Y275-N290 HydrophobicContact CE2-CB 4.19Å; P277-N290 WeakPolarHBondContact CD-O 3.09Å; S288-N290 PolarHBondContact O-N 3.14Å; S288-N290 VanDerWaalsContact OG-CB 3.3Å; S288-N290 WeakPolarHBondContact OG-CB 3.41Å; S288-N290 PolarHBondContact OG-N 3.33Å; S288-N290 VanDerWaalsContact OG-N 3.12Å; N290-E351 WeakPolarHBondContact CB-OE1 3.39Å; N290-E351 PolarHBondContact ND2-OE1 3.1Å; N290-E351 PolarHBondContact ND2-OE2 2.87Å; N290-L487 HydrophobicContact CB-CD1 4.36Å; N290-S500 PolarHBondContact ND2-OG 2.03Å; N290-S500 PolarHBondContact OD1-OG 3.21Å
291	Q	94.8	Very high	87.3	Confident	6 Å²	6	44.9 Å²	44.9	3%	0.028	27%	0.265	C	S	.	.			trans	-142.5	147.4	179.6	-16.8	-178.3	83.8	0	0	109.3	Y275 S276 H278 P289 T305 H306 S307 V308 L487	Y275-Q291 WeakPolarHBondContact O-CA 3.26Å; S276-Q291 PolarHBondContact OG-OE1 2.87Å; H278-Q291 PolarHBondContact ND1-OE1 3.43Å; P289-Q291 WeakPolarHBondContact O-CG 3.39Å; Q291-T305 WeakPolarHBondContact O-CA 3.34Å; Q291-T305 PolarHBondContact O-OG1 3.38Å; Q291-H306 PolarHBondContact NE2-O 3.06Å; Q291-H306 PolarHBondContact O-N 2.66Å; Q291-H306 VanDerWaalsContact O-N 3.08Å; Q291-S307 PolarHBondContact NE2-O 2.82Å; Q291-V308 PolarHBondContact NE2-O 2.96Å; Q291-V308 VanDerWaalsContact NE2-O 3.08Å; Q291-L487 HydrophobicContact CG-CD1 4.26Å
292	G	97	Very high	88.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.8	-176.9	179.2	0	0	0	0	0	114.1	W274 Y275 L304	W274-G292 WeakPolarHBondContact CA-O 2.8Å; Y275-G292 VanDerWaalsContact CD1-O 3.3Å; Y275-G292 WeakPolarHBondContact CD1-O 3.26Å; Y275-G292 VanDerWaalsContact CE1-C 3.49Å; Y275-G292 WeakPolarHBondContact CE1-O 3.46Å; Y275-G292 VanDerWaalsContact CE2-N 3.34Å; Y275-G292 PolarHBondContact N-O 2.68Å; Y275-G292 PolarHBondContact O-N 2.82Å; G292-L304 CarbonylContact C-O 3.59Å; G292-L304 WeakPolarHBondContact CA-O 3.37Å
293	V	97.8	Very high	89.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.5	-179.2	-176.7	0	0	0	0	108.8	I273 W274 M295 L304 P312	I273-V293 CarbonylContact O-C 3.41Å; I273-V293 WeakPolarHBondContact O-CA 3.36Å; W274-V293 HydrophobicContact CD2-CG1 4.03Å; W274-V293 HydrophobicContact CD2-CG2 4.38Å; W274-V293 HydrophobicContact CE3-CG1 4.14Å; W274-V293 HydrophobicContact CG-CG2 4.28Å; W274-V293 HydrophobicContact CH2-CG1 3.74Å; W274-V293 HydrophobicContact CZ2-CG1 3.78Å; W274-V293 HydrophobicContact CZ3-CG1 3.85Å; V293-M295 HydrophobicContact CG1-CE 4.38Å; V293-M295 HydrophobicContact CG1-CG 3.86Å; V293-M295 HydrophobicContact CG1-SD 4.38Å; V293-L304 HydrophobicContact CB-CB 4.44Å; V293-L304 PolarHBondContact N-O 2.8Å; V293-L304 PolarHBondContact O-N 3.35Å; V293-P312 HydrophobicContact CG2-CG 3.94Å
294	I	98.2	Very high	91	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127	168	-58.5	171.5	0	0	0	107.2	M271 R272 I273 Y275 M302 W303 L341 V345 L348	M271-I294 HydrophobicContact CE-CG2 3.45Å; M271-I294 VanDerWaalsContact CE-CG2 3.45Å; R272-I294 WeakPolarHBondContact CA-O 3.12Å; I273-I294 HydrophobicContact CB-CB 4.31Å; I273-I294 PolarHBondContact N-O 3.02Å; I273-I294 PolarHBondContact O-N 2.7Å; Y275-I294 HydrophobicContact CE1-CD1 4.31Å; Y275-I294 HydrophobicContact CE1-CG1 4.28Å; I294-M302 WeakPolarHBondContact CA-O 3.35Å; I294-W303 HydrophobicContact CG1-CG 4.35Å; I294-L341 HydrophobicContact CG2-CD1 3.64Å; I294-L341 HydrophobicContact CG2-CD2 4.38Å; I294-V345 HydrophobicContact CD1-CG2 4.06Å; I294-L348 HydrophobicContact CD1-CD2 3.75Å
295	M	97.2	Very high	92.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.6	171.1	-63.5	-173.3	-71	0	0	109.4	Y184 L252 Y255 M271 R272 W274 V293 A301 M302	Y184-M295 HydrophobicContact CD1-CB 3.48Å; Y184-M295 VanDerWaalsContact CD1-CB 3.48Å; Y184-M295 HydrophobicContact CD1-CE 3.86Å; Y184-M295 HydrophobicContact CD1-CG 4.16Å; Y184-M295 HydrophobicContact CD1-SD 3.7Å; Y184-M295 HydrophobicContact CE1-CB 4.13Å; Y184-M295 HydrophobicContact CE1-CE 4.26Å; Y184-M295 HydrophobicContact CE1-CG 4.46Å; Y184-M295 HydrophobicContact CE1-SD 3.66Å; Y184-M295 HydrophobicContact CG-CB 3.88Å; L252-M295 HydrophobicContact CD2-CE 3.69Å; Y255-M295 HydrophobicContact CD2-SD 4.35Å; Y255-M295 HydrophobicContact CG-SD 4.21Å; M271-M295 CarbonylContact O-C 3.55Å; M271-M295 VanDerWaalsContact O-CA 3.26Å; M271-M295 WeakPolarHBondContact O-CA 3.24Å; R272-M295 HydrophobicContact CG-CG 4.31Å; W274-M295 HydrophobicContact CH2-CG 3.68Å; W274-M295 HydrophobicContact CH2-SD 3.66Å; W274-M295 HydrophobicContact CZ2-SD 4.3Å; W274-M295 HydrophobicContact CZ3-CG 4.04Å; V293-M295 HydrophobicContact CG1-CE 4.38Å; V293-M295 HydrophobicContact CG1-CG 3.86Å; V293-M295 HydrophobicContact CG1-SD 4.38Å; M295-A301 WeakPolarHBondContact O-CA 3.06Å; M295-M302 HydrophobicContact CB-CG 3.98Å; M295-M302 HydrophobicContact CE-CE 3.91Å; M295-M302 HydrophobicContact CE-CG 4.25Å; M295-M302 HydrophobicContact CE-SD 3.35Å; M295-M302 WeakPolarHBondContact CE-SD 3.37Å; M295-M302 PolarHBondContact N-O 2.87Å; M295-M302 PolarHBondContact O-N 2.87Å
296	S	96.2	Very high	93.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	139.4	175.5	-174.4	0	0	0	0	111.2	T270 M271 A300 Y364	T270-S296 CarbonylContact C-O 3.42Å; M271-S296 PolarHBondContact N-O 2.93Å; M271-S296 PolarHBondContact O-N 2.82Å; S296-A300 CarbonylContact C-O 3.58Å; S296-A300 WeakPolarHBondContact CA-O 3.49Å; S296-A300 WeakPolarHBondContact CB-O 3.44Å; S296-A300 PolarHBondContact OG-O 2.84Å; S296-Y364 WeakPolarHBondContact CB-OH 3.36Å; S296-Y364 PolarHBondContact OG-OH 3.13Å
297	K	92.1	Very high	94.3	Very high	45 Å²	45	17.7 Å²	17.7	20%	0.196	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	132.1	173.7	-179.4	177.1	164.5	174.9	0	107.7	Y184 D266 D299 A300	Y184-K297 HydrophobicContact CD2-CB 3.63Å; Y184-K297 HydrophobicContact CE2-CB 3.79Å; Y184-K297 HydrophobicContact CE2-CD 4.1Å; D266-K297 IonicContact OD1-NZ 3.12Å; D266-K297 PolarHBondContact OD1-NZ 2.88Å; K297-D299 PolarHBondContact O-N 3.13Å; K297-A300 PolarHBondContact N-O 3.25Å; K297-A300 WeakPolarHBondContact O-CB 3.46Å; K297-A300 PolarHBondContact O-N 3.11Å
298	D	87.8	Confident	94.8	Very high	122 Å²	122	15.3 Å²	15.3	65%	0.652	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	-126.6	-176	-54.3	-46.2	0	0	0	111.1	A300 Q338	D298-A300 VanDerWaalsContact C-N 3.33Å; D298-Q338 VanDerWaalsContact O-CG 3.23Å; D298-Q338 WeakPolarHBondContact O-CG 3.3Å; D298-Q338 PolarHBondContact O-NE2 2.82Å
299	D	88.8	Confident	95	Very high	84 Å²	84	19.2 Å²	19.2	45%	0.449	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.3	177.5	-168.3	51	0	0	0	113.8	Y185 K297 K392	Y185-D299 PolarHBondContact OH-O 2.81Å; K297-D299 PolarHBondContact O-N 3.13Å; D299-K392 IonicContact OD2-NZ 3.45Å; D299-K392 PolarHBondContact OD2-NZ 3.06Å
300	A	93.3	Very high	94.7	Very high	4 Å²	4	20 Å²	20	3%	0.033	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	132.6	-178.9	0	0	0	0	0	111.7	N183 Y185 S296 K297 D298	N183-A300 HydrophobicContact CB-CB 3.89Å; Y185-A300 HydrophobicContact CD1-CB 4.33Å; Y185-A300 HydrophobicContact CD2-CB 4.26Å; Y185-A300 HydrophobicContact CE1-CB 3.8Å; Y185-A300 HydrophobicContact CE2-CB 3.73Å; Y185-A300 VanDerWaalsContact CZ-CA 3.47Å; Y185-A300 VanDerWaalsContact CZ-CB 3.47Å; Y185-A300 WeakPolarHBondContact OH-CA 3.19Å; S296-A300 CarbonylContact C-O 3.58Å; S296-A300 WeakPolarHBondContact CA-O 3.49Å; S296-A300 WeakPolarHBondContact CB-O 3.44Å; S296-A300 PolarHBondContact OG-O 2.84Å; K297-A300 PolarHBondContact N-O 3.25Å; K297-A300 WeakPolarHBondContact O-CB 3.46Å; K297-A300 PolarHBondContact O-N 3.11Å; D298-A300 VanDerWaalsContact C-N 3.33Å
301	A	97.2	Very high	94.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	141.7	174.6	0	0	0	0	0	110.8	Y184 Y185 M295 L336 L341	Y184-A301 CarbonylContact O-C 3.46Å; Y184-A301 PolarHBondContact O-N 2.97Å; Y185-A301 WeakPolarHBondContact CD1-O 3.4Å; M295-A301 WeakPolarHBondContact O-CA 3.06Å; A301-L336 HydrophobicContact CB-CB 4.17Å; A301-L336 PolarHBondContact N-O 2.83Å; A301-L336 PolarHBondContact O-N 2.93Å; A301-L341 HydrophobicContact CB-CB 4.11Å; A301-L341 HydrophobicContact CB-CD1 4.47Å; A301-L341 HydrophobicContact CB-CD2 3.77Å; A301-L341 HydrophobicContact CB-CG 4.32Å
302	M	97.4	Very high	94.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.2	167.2	67.4	158.1	70.4	0	0	110.6	Y184 Y185 T251 I294 M295 L334	Y184-M302 WeakPolarHBondContact O-CB 3.26Å; Y184-M302 PolarHBondContact O-N 2.93Å; Y184-M302 VanDerWaalsContact O-N 3.1Å; Y185-M302 WeakPolarHBondContact O-CE 3.29Å; T251-M302 HydrophobicContact CG2-CE 3.3Å; T251-M302 HydrophobicContact CG2-SD 3.71Å; T251-M302 WeakPolarHBondContact O-CE 3.45Å; I294-M302 WeakPolarHBondContact CA-O 3.35Å; M295-M302 HydrophobicContact CB-CG 3.98Å; M295-M302 HydrophobicContact CE-CE 3.91Å; M295-M302 HydrophobicContact CE-CG 4.25Å; M295-M302 HydrophobicContact CE-SD 3.35Å; M295-M302 WeakPolarHBondContact CE-SD 3.37Å; M295-M302 PolarHBondContact N-O 2.87Å; M295-M302 PolarHBondContact O-N 2.87Å; M302-L334 WeakPolarHBondContact CA-O 3.46Å
303	W	98.6	Very high	94.8	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114.6	167.4	179.5	29.6	0	0	0	109.3	Y275 I294 C333 L334 L336 V344 F389 Y404 L502	Y275-W303 PolarHBondContact OH-NE1 3.47Å; I294-W303 HydrophobicContact CG1-CG 4.35Å; W303-C333 WeakPolarHBondContact O-CA 3.28Å; W303-L334 HydrophobicContact CE3-CD1 3.88Å; W303-L334 HydrophobicContact CZ3-CD1 4.24Å; W303-L334 PolarHBondContact N-O 2.8Å; W303-L334 PolarHBondContact O-N 2.92Å; W303-L336 HydrophobicContact CB-CD1 4Å; W303-V344 HydrophobicContact CD2-CG1 3.89Å; W303-V344 HydrophobicContact CE3-CG1 3.43Å; W303-V344 VanDerWaalsContact CE3-CG1 3.43Å; W303-V344 HydrophobicContact CE3-CG2 4.46Å; W303-V344 HydrophobicContact CH2-CG1 3.94Å; W303-V344 HydrophobicContact CZ2-CG1 4.35Å; W303-V344 HydrophobicContact CZ3-CG1 3.46Å; W303-V344 VanDerWaalsContact CZ3-CG1 3.46Å; W303-V344 HydrophobicContact CZ3-CG2 4.41Å; W303-F389 HydrophobicContact CZ3-CZ 4.3Å; W303-Y404 HydrophobicContact CH2-CD1 4.03Å; W303-Y404 HydrophobicContact CH2-CD2 4.15Å; W303-Y404 AromaticContact CH2-CE1 3.71Å; W303-Y404 HydrophobicContact CH2-CE1 3.71Å; W303-Y404 AromaticContact CH2-CE2 3.83Å; W303-Y404 HydrophobicContact CH2-CE2 3.83Å; W303-Y404 HydrophobicContact CH2-CG 4.26Å; W303-Y404 AromaticContact CH2-CZ 3.63Å; W303-Y404 HydrophobicContact CZ2-CE1 4.37Å; W303-Y404 HydrophobicContact CZ2-CE2 4.5Å; W303-Y404 HydrophobicContact CZ3-CD1 4.41Å; W303-Y404 HydrophobicContact CZ3-CE1 4.45Å; W303-L502 HydrophobicContact CH2-CD2 4.48Å; W303-L502 HydrophobicContact CZ3-CD1 4.32Å; W303-L502 HydrophobicContact CZ3-CD2 4.25Å
304	L	98.6	Very high	94.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112.2	176	178	70.9	0	0	0	108.8	L248 L252 G292 V293 F311 L331 F332 C333	L248-L304 HydrophobicContact CD1-CD1 4.25Å; L248-L304 HydrophobicContact CD1-CD2 3.73Å; L252-L304 HydrophobicContact CD2-CD2 4.45Å; G292-L304 CarbonylContact C-O 3.59Å; G292-L304 WeakPolarHBondContact CA-O 3.37Å; V293-L304 HydrophobicContact CB-CB 4.44Å; V293-L304 PolarHBondContact N-O 2.8Å; V293-L304 PolarHBondContact O-N 3.35Å; L304-F311 HydrophobicContact CD2-CE1 4.38Å; L304-L331 HydrophobicContact CD1-CB 4.26Å; L304-F332 WeakPolarHBondContact CA-O 3.4Å; L304-C333 HydrophobicContact CD1-CB 3.81Å
305	T	97.9	Very high	94.2	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.025	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.7	174.9	-176.1	0	0	0	0	110.3	Q291 L331 F332 F485 L502	Q291-T305 WeakPolarHBondContact O-CA 3.34Å; Q291-T305 PolarHBondContact O-OG1 3.38Å; T305-L331 WeakPolarHBondContact O-CA 2.96Å; T305-F332 HydrophobicContact CG2-CB 3.96Å; T305-F332 PolarHBondContact N-O 3.18Å; T305-F332 PolarHBondContact O-N 2.04Å; T305-F485 HydrophobicContact CG2-CD1 3.9Å; T305-F485 HydrophobicContact CG2-CE1 3.5Å; T305-F485 VanDerWaalsContact CG2-CE1 3.5Å; T305-F485 HydrophobicContact CG2-CZ 4.36Å; T305-L502 HydrophobicContact CG2-CD2 4.48Å
306	H	97.8	Very high	94.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	157.7	-172	57.4	75	0	0	0	115.4	Q291 V308 F311 M330 L331 L487	Q291-H306 PolarHBondContact NE2-O 3.06Å; Q291-H306 PolarHBondContact O-N 2.66Å; Q291-H306 VanDerWaalsContact O-N 3.08Å; H306-V308 VanDerWaalsContact C-N 3.34Å; H306-V308 HydrophobicContact CB-CG2 4.38Å; H306-V308 PolarHBondContact CE1-O 3.27Å; H306-V308 PolarHBondContact ND1-N 2.73Å; H306-V308 PolarHBondContact ND1-O 2.62Å; H306-F311 AromaticContact CE1-CD1 3.97Å; H306-F311 PolarHBondContact CE1-O 2.74Å; H306-F311 VanDerWaalsContact CE1-O 3.23Å; H306-F311 AromaticContact NE2-CD1 3.74Å; H306-F311 PolarHBondContact NE2-O 2.93Å; H306-F311 VanDerWaalsContact NE2-O 3.17Å; H306-M330 VanDerWaalsContact CA-O 3.28Å; H306-M330 WeakPolarHBondContact CA-O 3.25Å; H306-L331 HydrophobicContact CB-CB 4.01Å; H306-L331 HydrophobicContact CB-CD2 3.87Å; H306-L331 HydrophobicContact CB-CG 3.66Å; H306-L487 WeakPolarHBondContact O-CD1 3.48Å
307	S	96.1	Very high	94.2	Very high	8 Å²	8	33.9 Å²	33.9	6%	0.056	19%	0.188	C	C	.	.	S	Bend	trans	-81.8	-8	173.6	59.5	0	0	0	0	114.4	Q291 M309 Q329 M330 D469	Q291-S307 PolarHBondContact NE2-O 2.82Å; S307-M309 PolarHBondContact O-N 3.45Å; S307-Q329 VanDerWaalsContact C-OE1 3.24Å; S307-Q329 VanDerWaalsContact CB-OE1 3.3Å; S307-Q329 PolarHBondContact O-OE1 2.95Å; S307-Q329 WeakPolarHBondContact OG-CA 3.14Å; S307-Q329 PolarHBondContact OG-OE1 3.13Å; S307-M330 PolarHBondContact N-O 3.47Å; S307-M330 PolarHBondContact OG-N 3.15Å; S307-M330 PolarHBondContact OG-O 2.77Å; S307-D469 VanDerWaalsContact CB-O 3.26Å; S307-D469 WeakPolarHBondContact CB-O 3.48Å
308	V	95.6	Very high	94.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-71.4	125.7	-178.1	-166.7	0	0	0	0	111.3	Q291 H306 F311 W319 P320 A324 Q329 L331	Q291-V308 PolarHBondContact NE2-O 2.96Å; Q291-V308 VanDerWaalsContact NE2-O 3.08Å; H306-V308 VanDerWaalsContact C-N 3.34Å; H306-V308 HydrophobicContact CB-CG2 4.38Å; H306-V308 PolarHBondContact CE1-O 3.27Å; H306-V308 PolarHBondContact ND1-N 2.73Å; H306-V308 PolarHBondContact ND1-O 2.62Å; V308-F311 HydrophobicContact CB-CB 3.78Å; V308-F311 HydrophobicContact CB-CG 4.22Å; V308-F311 HydrophobicContact CG1-CB 3.53Å; V308-F311 HydrophobicContact CG1-CD2 4.37Å; V308-F311 HydrophobicContact CG1-CG 3.98Å; V308-W319 HydrophobicContact CG1-CH2 4.42Å; V308-W319 HydrophobicContact CG1-CZ2 4.48Å; V308-W319 HydrophobicContact CG2-CH2 3.5Å; V308-W319 VanDerWaalsContact CG2-CH2 3.5Å; V308-W319 HydrophobicContact CG2-CZ2 3.99Å; V308-W319 HydrophobicContact CG2-CZ3 4.26Å; V308-P320 HydrophobicContact CG1-CG 4.03Å; V308-A324 HydrophobicContact CG1-CB 3.73Å; V308-Q329 HydrophobicContact CG2-CB 3.97Å; V308-Q329 HydrophobicContact CG2-CG 4.15Å; V308-L331 HydrophobicContact CG2-CD1 4.38Å; V308-L331 HydrophobicContact CG2-CD2 4.09Å; V308-L331 HydrophobicContact CG2-CG 4.24Å
309	M	89.6	Confident	94.8	Very high	84 Å²	84	29 Å²	29	41%	0.414	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	133.3	179.1	-68.4	179.6	60.8	0	0	111.6	H278 S307 F311	H278-M309 HydrophobicContact CB-CE 3.96Å; S307-M309 PolarHBondContact O-N 3.45Å; M309-F311 PolarHBondContact O-N 3.04Å
310	S	84.4	Confident	95.1	Very high	56 Å²	56	26.5 Å²	26.5	39%	0.392	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	40.4	172.4	-58	0	0	0	0	114.3
311	F	94.4	Very high	95.1	Very high	1 Å²	1	32 Å²	32	0%	0.004	19%	0.187	C	C	.	.			trans	-105.8	150.3	176.9	177	-94.2	0	0	0	110.1	L248 L252 L304 H306 V308 M309 Y317 W319 P320 L331	L248-F311 HydrophobicContact CD1-CE1 4.24Å; L248-F311 HydrophobicContact CD1-CZ 4.44Å; L248-F311 HydrophobicContact CD2-CE1 3.99Å; L248-F311 HydrophobicContact CD2-CZ 3.67Å; L248-F311 HydrophobicContact CG-CE1 4.45Å; L248-F311 HydrophobicContact CG-CZ 4.18Å; L252-F311 HydrophobicContact CD1-CE1 4.14Å; L252-F311 HydrophobicContact CD1-CZ 3.9Å; L304-F311 HydrophobicContact CD2-CE1 4.38Å; H306-F311 AromaticContact CE1-CD1 3.97Å; H306-F311 PolarHBondContact CE1-O 2.74Å; H306-F311 VanDerWaalsContact CE1-O 3.23Å; H306-F311 AromaticContact NE2-CD1 3.74Å; H306-F311 PolarHBondContact NE2-O 2.93Å; H306-F311 VanDerWaalsContact NE2-O 3.17Å; V308-F311 HydrophobicContact CB-CB 3.78Å; V308-F311 HydrophobicContact CB-CG 4.22Å; V308-F311 HydrophobicContact CG1-CB 3.53Å; V308-F311 HydrophobicContact CG1-CD2 4.37Å; V308-F311 HydrophobicContact CG1-CG 3.98Å; M309-F311 PolarHBondContact O-N 3.04Å; F311-Y317 HydrophobicContact CZ-CE2 4.22Å; F311-W319 HydrophobicContact CE2-CE3 4.01Å; F311-W319 HydrophobicContact CE2-CZ3 4.18Å; F311-W319 HydrophobicContact CZ-CE3 4.39Å; F311-W319 HydrophobicContact CZ-CZ3 4.22Å; F311-P320 HydrophobicContact CB-CG 4.36Å; F311-P320 HydrophobicContact CD2-CG 3.99Å; F311-L331 HydrophobicContact CD1-CD2 4.41Å; F311-L331 HydrophobicContact CE1-CD2 4.07Å
312	P	96.4	Very high	94.9	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	20%	0.204	C	C	.	.	S	Bend	cis	-86.7	159.7	-10.4	38.8	-38.5	0	0	0	112.4	L252 Y256 V293	L252-P312 HydrophobicContact CD1-CB 3.84Å; L252-P312 HydrophobicContact CD1-CG 3.94Å; L252-P312 HydrophobicContact CD2-CG 4.35Å; Y256-P312 WeakPolarHBondContact OH-CB 3.49Å; V293-P312 HydrophobicContact CG2-CG 3.94Å
313	P	94.6	Very high	94.7	Very high	47 Å²	47	35.5 Å²	35.5	31%	0.305	22%	0.217	S	C	.	.			trans	-58.9	147.1	172.9	-21.4	32.9	0	0	0	112.1	Y256 A318	Y256-P313 WeakPolarHBondContact CE1-O 3.23Å; Y256-P313 PolarHBondContact OH-O 3.35Å; P313-A318 HydrophobicContact CG-CB 4.38Å
314	T	92.7	Very high	94.6	Very high	30 Å²	30	35.5 Å²	35.5	18%	0.184	22%	0.217	C	C	.	.	S	Bend	trans	-75.7	-28.8	-173.8	53.2	0	0	0	0	114	Y255 W357	Y255-T314 VanDerWaalsContact CE1-O 3.29Å; Y255-T314 WeakPolarHBondContact CE1-O 3.42Å; Y255-T314 PolarHBondContact OH-O 3.38Å; T314-W357 HydrophobicContact CG2-CD2 3.71Å; T314-W357 HydrophobicContact CG2-CE3 4.13Å; T314-W357 HydrophobicContact CG2-CG 3.89Å; T314-W357 HydrophobicContact CG2-CZ2 4.28Å
315	E	92.2	Very high	94.4	Very high	132 Å²	132	38.1 Å²	38.1	62%	0.617	23%	0.229	S	C	*	.	S	Bend	trans	-90.4	-42.7	-169.3	-56.1	-49.8	128.1	0	0	113.6
316	A	95.7	Very high	94.3	Very high	58 Å²	58	41.9 Å²	41.9	48%	0.479	25%	0.249	S	C	.	.	S	Bend	trans	-152.7	154	-177.1	0	0	0	0	0	110.8	Y256 A318	Y256-A316 VanDerWaalsContact CE1-CA 3.45Å; A316-A318 PolarHBondContact O-N 2.65Å
317	Y	97.2	Very high	94.2	Very high	32 Å²	32	43.2 Å²	43.2	13%	0.125	26%	0.256	C	S	.	.			trans	-63.4	120.5	173.6	-175	-99	0	0	0	110	I241 Q246 L248 Q249 L252 Y256 F311	I241-Y317 WeakPolarHBondContact O-CE1 3.32Å; I241-Y317 PolarHBondContact O-OH 3.49Å; Q246-Y317 PolarHBondContact NE2-OH 2.76Å; L248-Y317 HydrophobicContact CG-CE2 4.27Å; Q249-Y317 HydrophobicContact CB-CD1 4.01Å; Q249-Y317 HydrophobicContact CB-CD2 4.19Å; Q249-Y317 HydrophobicContact CB-CE1 3.75Å; Q249-Y317 HydrophobicContact CB-CE2 3.94Å; Q249-Y317 HydrophobicContact CB-CG 4.23Å; Q249-Y317 HydrophobicContact CG-CD1 3.61Å; Q249-Y317 HydrophobicContact CG-CD2 4.07Å; Q249-Y317 HydrophobicContact CG-CE1 3.9Å; Q249-Y317 HydrophobicContact CG-CE2 4.32Å; Q249-Y317 HydrophobicContact CG-CG 3.7Å; L252-Y317 HydrophobicContact CD1-CD2 4.11Å; L252-Y317 HydrophobicContact CD1-CE2 4.04Å; Y256-Y317 AromaticContact CE2-CD2 3.88Å; Y256-Y317 HydrophobicContact CE2-CD2 3.88Å; Y256-Y317 HydrophobicContact CE2-CG 4.31Å; F311-Y317 HydrophobicContact CZ-CE2 4.22Å
318	A	96.7	Very high	94.3	Very high	47 Å²	47	42.9 Å²	42.9	39%	0.388	25%	0.253	S	S	.	.			trans	-152.9	142	171.5	0	0	0	0	0	109.4	P313 A316	P313-A318 HydrophobicContact CG-CB 4.38Å; A316-A318 PolarHBondContact O-N 2.65Å
319	W	96.5	Very high	94.3	Very high	17 Å²	17	42.9 Å²	42.9	6%	0.064	25%	0.253	C	S	.	.			trans	-81.6	128.6	171.5	-167.9	-100.8	0	0	0	110	K202 Y221 I241 N242 L248 V308 F311 A324 Q329 L331	K202-W319 HydrophobicContact CD-CZ2 4.07Å; K202-W319 HydrophobicContact CG-CZ2 4.11Å; Y221-W319 AromaticContact CD1-CD1 3.98Å; Y221-W319 HydrophobicContact CD1-CG 4.44Å; Y221-W319 AromaticContact CE1-CD1 3.94Å; I241-W319 HydrophobicContact CB-CE3 4.44Å; I241-W319 HydrophobicContact CD1-CE3 3.97Å; I241-W319 HydrophobicContact CD1-CH2 3.44Å; I241-W319 VanDerWaalsContact CD1-CH2 3.44Å; I241-W319 HydrophobicContact CD1-CZ2 4.1Å; I241-W319 HydrophobicContact CD1-CZ3 3.38Å; I241-W319 HydrophobicContact CG1-CD2 4.39Å; I241-W319 HydrophobicContact CG1-CE3 3.79Å; I241-W319 HydrophobicContact CG1-CH2 4.21Å; I241-W319 HydrophobicContact CG1-CZ3 3.69Å; I241-W319 HydrophobicContact CG2-CD2 3.59Å; I241-W319 HydrophobicContact CG2-CE3 3.89Å; I241-W319 HydrophobicContact CG2-CG 3.9Å; I241-W319 HydrophobicContact CG2-CZ2 4.3Å; I241-W319 HydrophobicContact CG2-CZ3 4.36Å; N242-W319 HydrophobicContact CB-CB 3.73Å; L248-W319 HydrophobicContact CD2-CE3 4.41Å; L248-W319 HydrophobicContact CD2-CZ3 3.79Å; V308-W319 HydrophobicContact CG1-CH2 4.42Å; V308-W319 HydrophobicContact CG1-CZ2 4.48Å; V308-W319 HydrophobicContact CG2-CH2 3.5Å; V308-W319 VanDerWaalsContact CG2-CH2 3.5Å; V308-W319 HydrophobicContact CG2-CZ2 3.99Å; V308-W319 HydrophobicContact CG2-CZ3 4.26Å; F311-W319 HydrophobicContact CE2-CE3 4.01Å; F311-W319 HydrophobicContact CE2-CZ3 4.18Å; F311-W319 HydrophobicContact CZ-CE3 4.39Å; F311-W319 HydrophobicContact CZ-CZ3 4.22Å; W319-A324 HydrophobicContact CZ2-CB 4.4Å; W319-A324 VanDerWaalsContact NE1-C 3.3Å; W319-A324 PolarHBondContact NE1-O 2.93Å; W319-Q329 HydrophobicContact CZ2-CB 4.43Å; W319-Q329 HydrophobicContact CZ2-CG 4.3Å; W319-L331 HydrophobicContact CH2-CD1 4Å; W319-L331 HydrophobicContact CH2-CD2 4.29Å; W319-L331 HydrophobicContact CZ3-CD2 4.25Å
320	P	94.8	Very high	94.7	Very high	33 Å²	33	38.9 Å²	38.9	21%	0.214	23%	0.234	C	C	.	.			trans	-65.4	149.2	179.8	-19	31.7	0	0	0	112.4	V308 F311 A324	V308-P320 HydrophobicContact CG1-CG 4.03Å; F311-P320 HydrophobicContact CB-CG 4.36Å; F311-P320 HydrophobicContact CD2-CG 3.99Å; P320-A324 HydrophobicContact CB-CB 3.85Å; P320-A324 HydrophobicContact CG-CB 4.29Å; P320-A324 WeakPolarHBondContact O-CB 3.32Å
321	D	91.9	Very high	95.4	Very high	119 Å²	119	36.2 Å²	36.2	64%	0.636	22%	0.215	S	C	*	.	S	Bend	trans	-76.6	-176	169.1	-72	-47.5	0	0	0	111.9
322	G	93.3	Very high	95.6	Very high	35 Å²	35	36.1 Å²	36.1	36%	0.361	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	-139.2	179.4	0	0	0	0	0	111.9	A324 K325 D326	G322-A324 PolarHBondContact O-N 3.01Å; G322-K325 CarbonylContact O-C 3.54Å; G322-K325 WeakPolarHBondContact O-CA 3.27Å; G322-K325 PolarHBondContact O-N 2.93Å; G322-D326 PolarHBondContact O-N 2.6Å
323	S	93.9	Very high	95.7	Very high	39 Å²	39	36.1 Å²	36.1	27%	0.273	21%	0.214	S	C	.	.	H	α-helix	trans	-56.9	-29.4	-175.1	60.2	0	0	0	0	113.9	K325 N327 Q329	S323-K325 VanDerWaalsContact C-N 3.26Å; S323-K325 PolarHBondContact O-N 3.12Å; S323-N327 WeakPolarHBondContact O-CA 3.28Å; S323-N327 VanDerWaalsContact O-CB 3.26Å; S323-N327 WeakPolarHBondContact O-CB 3.47Å; S323-N327 PolarHBondContact O-N 2.93Å; S323-Q329 PolarHBondContact O-NE2 2.87Å
324	A	95.6	Very high	95.9	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.017	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-36.9	174.2	0	0	0	0	0	112	K202 V308 W319 P320 G322	K202-A324 VanDerWaalsContact CE-O 3.26Å; K202-A324 WeakPolarHBondContact CE-O 3.49Å; K202-A324 PolarHBondContact NZ-O 2.73Å; V308-A324 HydrophobicContact CG1-CB 3.73Å; W319-A324 HydrophobicContact CZ2-CB 4.4Å; W319-A324 VanDerWaalsContact NE1-C 3.3Å; W319-A324 PolarHBondContact NE1-O 2.93Å; P320-A324 HydrophobicContact CB-CB 3.85Å; P320-A324 HydrophobicContact CG-CB 4.29Å; P320-A324 WeakPolarHBondContact O-CB 3.32Å; G322-A324 PolarHBondContact O-N 3.01Å
325	K	95	Very high	96.2	Very high	55 Å²	55	32.5 Å²	32.5	24%	0.239	19%	0.191	C	C	.	.	H	α-helix	trans	-90.9	-34.8	177.9	-178.2	-178.5	176.6	172.3	0	113.3	K202 K219 Y221 G322 S323	K202-K325 PolarHBondContact NZ-O 3.03Å; K219-K325 WeakPolarHBondContact O-CE 3.08Å; Y221-K325 HydrophobicContact CE1-CD 4.06Å; Y221-K325 HydrophobicContact CE1-CG 4.04Å; Y221-K325 WeakPolarHBondContact OH-CE 3.45Å; Y221-K325 PolarHBondContact OH-NZ 3.06Å; G322-K325 CarbonylContact O-C 3.54Å; G322-K325 WeakPolarHBondContact O-CA 3.27Å; G322-K325 PolarHBondContact O-N 2.93Å; S323-K325 VanDerWaalsContact C-N 3.26Å; S323-K325 PolarHBondContact O-N 3.12Å
326	D	95.4	Very high	96.5	Very high	82 Å²	82	26.2 Å²	26.2	44%	0.439	16%	0.162	S	C	.	.	H	α-helix	trans	-88.6	-31.7	-172.3	-58.7	-31.1	0	0	0	112.3	Q204 P205 G322	Q204-D326 VanDerWaalsContact CB-O 3.24Å; Q204-D326 WeakPolarHBondContact CB-O 3.49Å; P205-D326 WeakPolarHBondContact CD-O 3.31Å; G322-D326 PolarHBondContact O-N 2.6Å
327	N	96.6	Very high	96.5	Very high	30 Å²	30	25 Å²	25	16%	0.16	15%	0.148	C	C	.	.	S	Bend	trans	-103.1	161.5	179.4	-61.1	-12.5	0	0	0	111.6	K202 S323 M467 D469	K202-N327 PolarHBondContact NZ-O 2.83Å; S323-N327 WeakPolarHBondContact O-CA 3.28Å; S323-N327 VanDerWaalsContact O-CB 3.26Å; S323-N327 WeakPolarHBondContact O-CB 3.47Å; S323-N327 PolarHBondContact O-N 2.93Å; N327-M467 CarbonylContact C-O 3.46Å; N327-M467 WeakPolarHBondContact CA-O 3.26Å; N327-M467 VanDerWaalsContact CB-O 3.3Å; N327-M467 WeakPolarHBondContact CB-O 3.4Å; N327-D469 WeakPolarHBondContact CB-OD2 3.32Å; N327-D469 PolarHBondContact ND2-OD2 2.8Å
328	A	97	Very high	96.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-68.6	143.5	165.7	0	0	0	0	0	111.7	Y201 K202 M467 D468 D469	Y201-A328 HydrophobicContact CD2-CB 4.41Å; Y201-A328 HydrophobicContact CE2-CB 3.79Å; K202-A328 CarbonylContact O-C 3.59Å; K202-A328 WeakPolarHBondContact O-CA 3.37Å; K202-A328 VanDerWaalsContact O-CB 3.28Å; K202-A328 WeakPolarHBondContact O-CB 3.29Å; A328-M467 PolarHBondContact N-O 2.99Å; A328-D468 HydrophobicContact CB-CB 3.93Å; A328-D469 PolarHBondContact O-N 2.94Å
329	Q	97.4	Very high	96.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.3	-176.3	-57.6	-62.9	-25.3	0	0	109.5	K202 S307 V308 W319 S323 D469	K202-Q329 HydrophobicContact CB-CB 4.35Å; K202-Q329 HydrophobicContact CD-CB 4.28Å; K202-Q329 HydrophobicContact CD-CG 4.23Å; K202-Q329 PolarHBondContact N-O 2.55Å; K202-Q329 PolarHBondContact O-N 2.85Å; S307-Q329 VanDerWaalsContact C-OE1 3.24Å; S307-Q329 VanDerWaalsContact CB-OE1 3.3Å; S307-Q329 PolarHBondContact O-OE1 2.95Å; S307-Q329 WeakPolarHBondContact OG-CA 3.14Å; S307-Q329 PolarHBondContact OG-OE1 3.13Å; V308-Q329 HydrophobicContact CG2-CB 3.97Å; V308-Q329 HydrophobicContact CG2-CG 4.15Å; W319-Q329 HydrophobicContact CZ2-CB 4.43Å; W319-Q329 HydrophobicContact CZ2-CG 4.3Å; S323-Q329 PolarHBondContact O-NE2 2.87Å; Q329-D469 PolarHBondContact NE2-OD2 3.44Å
330	M	98	Very high	96.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.9	176.5	-168.7	90	65.7	0	0	110.1	L199 I200 Y201 W234 H306 S307 F485 F513	L199-M330 HydrophobicContact CD1-CG 3.76Å; L199-M330 HydrophobicContact CD1-SD 3.8Å; L199-M330 HydrophobicContact CD2-SD 3.86Å; L199-M330 HydrophobicContact CG-CG 4.37Å; L199-M330 HydrophobicContact CG-SD 3.75Å; I200-M330 VanDerWaalsContact O-CA 3.28Å; I200-M330 WeakPolarHBondContact O-CA 3.35Å; Y201-M330 HydrophobicContact CD1-CE 3.25Å; Y201-M330 HydrophobicContact CD1-SD 3.74Å; Y201-M330 HydrophobicContact CE1-CE 3.28Å; Y201-M330 HydrophobicContact CE1-SD 4.37Å; Y201-M330 HydrophobicContact CG-CE 3.96Å; Y201-M330 HydrophobicContact CG-SD 4.03Å; W234-M330 HydrophobicContact CH2-SD 4.46Å; H306-M330 VanDerWaalsContact CA-O 3.28Å; H306-M330 WeakPolarHBondContact CA-O 3.25Å; S307-M330 PolarHBondContact N-O 3.47Å; S307-M330 PolarHBondContact OG-N 3.15Å; S307-M330 PolarHBondContact OG-O 2.77Å; M330-F485 HydrophobicContact CB-CE2 3.95Å; M330-F485 HydrophobicContact CG-CD2 4.01Å; M330-F485 HydrophobicContact CG-CE2 3.73Å; M330-F513 HydrophobicContact CE-CE1 3.73Å; M330-F513 HydrophobicContact CE-CZ 3.67Å; M330-F513 HydrophobicContact SD-CZ 4.13Å
331	L	98.7	Very high	96.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.4	177.3	-51.1	90.4	0	0	0	109	L199 I200 I241 L248 L304 T305 H306 V308 F311 W319	L199-L331 CarbonylContact C-O 3.57Å; L199-L331 WeakPolarHBondContact CA-O 3.4Å; I200-L331 HydrophobicContact CB-CB 4.27Å; I200-L331 HydrophobicContact CB-CD1 4.01Å; I200-L331 HydrophobicContact CG2-CD1 3.76Å; I200-L331 PolarHBondContact N-O 3.12Å; I200-L331 PolarHBondContact O-N 3.07Å; I241-L331 HydrophobicContact CD1-CD1 4.24Å; L248-L331 HydrophobicContact CD1-CD2 4.19Å; L248-L331 HydrophobicContact CD2-CD2 3.73Å; L304-L331 HydrophobicContact CD1-CB 4.26Å; T305-L331 WeakPolarHBondContact O-CA 2.96Å; H306-L331 HydrophobicContact CB-CB 4.01Å; H306-L331 HydrophobicContact CB-CD2 3.87Å; H306-L331 HydrophobicContact CB-CG 3.66Å; V308-L331 HydrophobicContact CG2-CD1 4.38Å; V308-L331 HydrophobicContact CG2-CD2 4.09Å; V308-L331 HydrophobicContact CG2-CG 4.24Å; F311-L331 HydrophobicContact CD1-CD2 4.41Å; F311-L331 HydrophobicContact CE1-CD2 4.07Å; W319-L331 HydrophobicContact CH2-CD1 4Å; W319-L331 HydrophobicContact CH2-CD2 4.29Å; W319-L331 HydrophobicContact CZ3-CD2 4.25Å
332	F	98.7	Very high	96.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	114.2	-178.1	-167.3	-170.7	0	0	0	109.6	W197 F198 L199 L304 T305 L334 L400 M402 W483 F485 L502	W197-F332 HydrophobicContact CB-CE2 4.26Å; W197-F332 HydrophobicContact CE3-CE2 4.08Å; F198-F332 WeakPolarHBondContact O-CD2 3.18Å; L199-F332 HydrophobicContact CB-CD2 4.36Å; L199-F332 HydrophobicContact CD1-CB 3.63Å; L199-F332 HydrophobicContact CD1-CD1 4.35Å; L199-F332 HydrophobicContact CD1-CD2 3.99Å; L199-F332 HydrophobicContact CD1-CG 3.76Å; L304-F332 WeakPolarHBondContact CA-O 3.4Å; T305-F332 HydrophobicContact CG2-CB 3.96Å; T305-F332 PolarHBondContact N-O 3.18Å; T305-F332 PolarHBondContact O-N 2.04Å; F332-L334 HydrophobicContact CD2-CD2 4.25Å; F332-L334 HydrophobicContact CE1-CD2 4.37Å; F332-L334 HydrophobicContact CE2-CD2 3.63Å; F332-L334 HydrophobicContact CE2-CG 4.42Å; F332-L334 HydrophobicContact CZ-CD2 3.71Å; F332-L400 HydrophobicContact CE2-CD2 4.1Å; F332-L400 HydrophobicContact CZ-CD2 3.61Å; F332-M402 HydrophobicContact CE1-CE 3.7Å; F332-M402 HydrophobicContact CZ-CE 3.96Å; F332-M402 HydrophobicContact CZ-SD 4.5Å; F332-W483 AromaticContact CD1-CH2 3.92Å; F332-W483 HydrophobicContact CD1-CH2 3.92Å; F332-W483 HydrophobicContact CD1-CZ3 4.25Å; F332-W483 AromaticContact CE1-CH2 3.69Å; F332-W483 HydrophobicContact CE1-CH2 3.69Å; F332-W483 AromaticContact CE1-CZ3 3.56Å; F332-W483 HydrophobicContact CE1-CZ3 3.56Å; F332-W483 HydrophobicContact CZ-CH2 4.17Å; F332-W483 AromaticContact CZ-CZ3 3.91Å; F332-W483 HydrophobicContact CZ-CZ3 3.91Å; F332-F485 HydrophobicContact CD1-CB 4.22Å; F332-F485 HydrophobicContact CD1-CG 4.38Å; F332-L502 HydrophobicContact CD1-CD2 3.58Å; F332-L502 HydrophobicContact CD1-CG 4.49Å; F332-L502 HydrophobicContact CE1-CD2 3.58Å; F332-L502 HydrophobicContact CE1-CG 4.16Å
333	C	98.8	Very high	96.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135	176.9	-169.3	0	0	0	0	110.2	C186 W197 F198 W303 L304	C186-C333 VanDerWaalsContact CA-SG 3.56Å; C186-C333 HydrophobicContact CB-CB 3.92Å; C186-C333 WeakPolarHBondContact CB-SG 3.43Å; C186-C333 WeakPolarHBondContact SG-CB 3.26Å; C186-C333 CovalentContact SG-SG 2.03Å; C186-C333 PolarHBondContact SG-SG 3.23Å; W197-C333 WeakPolarHBondContact CA-O 3.47Å; W197-C333 VanDerWaalsContact CB-O 3.3Å; W197-C333 WeakPolarHBondContact CB-O 3.35Å; F198-C333 HydrophobicContact CD1-CB 3.81Å; F198-C333 HydrophobicContact CD2-CB 3.99Å; F198-C333 HydrophobicContact CE1-CB 3.39Å; F198-C333 HydrophobicContact CE2-CB 3.59Å; F198-C333 HydrophobicContact CG-CB 4.08Å; F198-C333 HydrophobicContact CZ-CB 3.28Å; F198-C333 PolarHBondContact N-O 3.39Å; F198-C333 VanDerWaalsContact N-O 3.12Å; F198-C333 PolarHBondContact O-N 3.12Å; W303-C333 WeakPolarHBondContact O-CA 3.28Å; L304-C333 HydrophobicContact CD1-CB 3.81Å
334	L	98.7	Very high	97.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.7	173.1	-60.1	174.4	0	0	0	110.5	C186 W197 M302 W303 F332 L336 F389 T391 L400 L502	C186-L334 PolarHBondContact SG-N 3.49Å; W197-L334 HydrophobicContact CB-CD2 3.85Å; M302-L334 WeakPolarHBondContact CA-O 3.46Å; W303-L334 HydrophobicContact CE3-CD1 3.88Å; W303-L334 HydrophobicContact CZ3-CD1 4.24Å; W303-L334 PolarHBondContact N-O 2.8Å; W303-L334 PolarHBondContact O-N 2.92Å; F332-L334 HydrophobicContact CD2-CD2 4.25Å; F332-L334 HydrophobicContact CE1-CD2 4.37Å; F332-L334 HydrophobicContact CE2-CD2 3.63Å; F332-L334 HydrophobicContact CE2-CG 4.42Å; F332-L334 HydrophobicContact CZ-CD2 3.71Å; L334-L336 HydrophobicContact CB-CD2 3.97Å; L334-L336 HydrophobicContact CB-CG 4.37Å; L334-F389 HydrophobicContact CD1-CE2 4.06Å; L334-F389 HydrophobicContact CD1-CZ 3.93Å; L334-T391 HydrophobicContact CB-CG2 4.44Å; L334-T391 HydrophobicContact CD2-CG2 3.84Å; L334-L400 HydrophobicContact CD2-CD2 4.05Å; L334-L502 HydrophobicContact CD1-CD2 3.84Å
335	S	98.4	Very high	97.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	128.2	168.6	-64.5	0	0	0	0	109.1	C186 V195 D196 T391 K392	C186-S335 WeakPolarHBondContact CB-OG 3.28Å; C186-S335 PolarHBondContact N-OG 3.39Å; C186-S335 PolarHBondContact SG-N 2.84Å; C186-S335 VanDerWaalsContact SG-N 3.38Å; V195-S335 WeakPolarHBondContact O-CB 3.13Å; V195-S335 PolarHBondContact O-OG 2.99Å; D196-S335 WeakPolarHBondContact O-CB 3.18Å; D196-S335 PolarHBondContact O-N 2.97Å; S335-T391 CarbonylContact O-C 3.54Å; S335-T391 WeakPolarHBondContact O-CA 3.41Å; S335-T391 WeakPolarHBondContact O-CB 2.96Å; S335-K392 PolarHBondContact O-N 3.06Å
336	L	98	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	160.5	-172.1	-51.4	177.1	0	0	0	110.6	A301 W303 L334 T340 L341 V344 F389	A301-L336 HydrophobicContact CB-CB 4.17Å; A301-L336 PolarHBondContact N-O 2.83Å; A301-L336 PolarHBondContact O-N 2.93Å; W303-L336 HydrophobicContact CB-CD1 4Å; L334-L336 HydrophobicContact CB-CD2 3.97Å; L334-L336 HydrophobicContact CB-CG 4.37Å; L336-T340 HydrophobicContact CB-CG2 4.25Å; L336-T340 HydrophobicContact CD1-CG2 4.48Å; L336-T340 HydrophobicContact CD2-CG2 3.83Å; L336-T340 HydrophobicContact CG-CG2 4.4Å; L336-L341 HydrophobicContact CD1-CD1 4.19Å; L336-V344 HydrophobicContact CD1-CG2 4.25Å; L336-F389 HydrophobicContact CD2-CD2 4.14Å; L336-F389 HydrophobicContact CD2-CE2 3.78Å
337	D	95.2	Very high	97.3	Very high	33 Å²	33	22.3 Å²	22.3	18%	0.176	12%	0.116	C	C	.	.			trans	-89.7	169.4	160.7	68.7	71.3	0	0	0	111.3	N339 T340 L341 K392	D337-N339 PolarHBondContact O-N 3.2Å; D337-N339 WeakPolarHBondContact OD1-CA 3.44Å; D337-N339 WeakPolarHBondContact OD1-CB 2.91Å; D337-N339 PolarHBondContact OD1-N 2.82Å; D337-T340 PolarHBondContact O-N 3.4Å; D337-T340 PolarHBondContact OD1-N 3.21Å; D337-T340 PolarHBondContact OD1-OG1 3.11Å; D337-T340 PolarHBondContact OD2-OG1 3.42Å; D337-L341 WeakPolarHBondContact O-CB 3.07Å; D337-L341 PolarHBondContact O-N 2.92Å; D337-K392 HydrophobicContact CB-CD 4.1Å
338	Q	93.4	Very high	97.3	Very high	57 Å²	57	20.9 Å²	20.9	27%	0.266	11%	0.108	S	C	.	.	H	α-helix	trans	-56.5	-40.5	179.3	-82.8	-100.7	22.5	0	0	114.8	D298 K342 Y364	D298-Q338 VanDerWaalsContact O-CG 3.23Å; D298-Q338 WeakPolarHBondContact O-CG 3.3Å; D298-Q338 PolarHBondContact O-NE2 2.82Å; Q338-K342 WeakPolarHBondContact O-CB 3.08Å; Q338-K342 PolarHBondContact O-N 2.89Å; Q338-Y364 PolarHBondContact NE2-OH 2.57Å
339	N	95.2	Very high	97.3	Very high	124 Å²	124	21.7 Å²	21.7	66%	0.663	11%	0.111	S	C	*	.	H	α-helix	trans	-73.8	-40.2	-177.3	-67.4	-43.6	0	0	0	111.1	D337 K342 S343	D337-N339 PolarHBondContact O-N 3.2Å; D337-N339 WeakPolarHBondContact OD1-CA 3.44Å; D337-N339 WeakPolarHBondContact OD1-CB 2.91Å; D337-N339 PolarHBondContact OD1-N 2.82Å; N339-K342 WeakPolarHBondContact O-CB 3.49Å; N339-K342 PolarHBondContact O-N 2.99Å; N339-S343 PolarHBondContact O-N 2.05Å; N339-S343 VanDerWaalsContact O-N 3.17Å; N339-S343 PolarHBondContact O-OG 2.99Å; N339-S343 VanDerWaalsContact O-OG 3.08Å
340	T	97.5	Very high	97.2	Very high	17 Å²	17	22.1 Å²	22.1	10%	0.104	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-46.8	173.8	-65	0	0	0	0	110.3	L336 D337 K342 S343 V344 F389	L336-T340 HydrophobicContact CB-CG2 4.25Å; L336-T340 HydrophobicContact CD1-CG2 4.48Å; L336-T340 HydrophobicContact CD2-CG2 3.83Å; L336-T340 HydrophobicContact CG-CG2 4.4Å; D337-T340 PolarHBondContact O-N 3.4Å; D337-T340 PolarHBondContact OD1-N 3.21Å; D337-T340 PolarHBondContact OD1-OG1 3.11Å; D337-T340 PolarHBondContact OD2-OG1 3.42Å; T340-K342 VanDerWaalsContact C-N 3.31Å; T340-K342 PolarHBondContact O-N 3.29Å; T340-S343 WeakPolarHBondContact O-CB 3.31Å; T340-S343 PolarHBondContact O-N 2.79Å; T340-S343 VanDerWaalsContact O-N 3.11Å; T340-V344 HydrophobicContact CG2-CG2 4.48Å; T340-V344 WeakPolarHBondContact O-CG2 3.24Å; T340-V344 PolarHBondContact O-N 2.72Å; T340-F389 HydrophobicContact CG2-CB 3.8Å; T340-F389 HydrophobicContact CG2-CD2 3.54Å; T340-F389 HydrophobicContact CG2-CE2 4.39Å; T340-F389 HydrophobicContact CG2-CG 3.91Å
341	L	98.1	Very high	96.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-56.2	-45.9	175.5	178.9	67.7	0	0	0	111.6	M271 I294 A301 L336 D337 S343 V344 V345 Y369	M271-L341 HydrophobicContact CE-CD2 3.75Å; I294-L341 HydrophobicContact CG2-CD1 3.64Å; I294-L341 HydrophobicContact CG2-CD2 4.38Å; A301-L341 HydrophobicContact CB-CB 4.11Å; A301-L341 HydrophobicContact CB-CD1 4.47Å; A301-L341 HydrophobicContact CB-CD2 3.77Å; A301-L341 HydrophobicContact CB-CG 4.32Å; L336-L341 HydrophobicContact CD1-CD1 4.19Å; D337-L341 WeakPolarHBondContact O-CB 3.07Å; D337-L341 PolarHBondContact O-N 2.92Å; L341-S343 VanDerWaalsContact C-N 3.28Å; L341-S343 PolarHBondContact O-N 3.49Å; L341-V344 PolarHBondContact O-N 2.89Å; L341-V345 HydrophobicContact CD1-CG2 4.2Å; L341-V345 HydrophobicContact CG-CG2 4.38Å; L341-V345 WeakPolarHBondContact O-CG2 3.38Å; L341-V345 PolarHBondContact O-N 2.81Å; L341-Y369 HydrophobicContact CD2-CE1 4.11Å; L341-Y369 HydrophobicContact CG-CE1 4.15Å
342	K	97.2	Very high	96.5	Very high	89 Å²	89	25 Å²	25	39%	0.387	14%	0.137	S	C	.	.	H	α-helix	trans	-55.4	-45.2	177	-172.7	-178.6	-180	176.1	0	111.7	Q338 N339 T340 V345 E346 P368 Y369	Q338-K342 WeakPolarHBondContact O-CB 3.08Å; Q338-K342 PolarHBondContact O-N 2.89Å; N339-K342 WeakPolarHBondContact O-CB 3.49Å; N339-K342 PolarHBondContact O-N 2.99Å; T340-K342 VanDerWaalsContact C-N 3.31Å; T340-K342 PolarHBondContact O-N 3.29Å; K342-V345 PolarHBondContact O-N 2.85Å; K342-E346 PolarHBondContact O-N 3.21Å; K342-P368 HydrophobicContact CG-CG 4.05Å; K342-P368 WeakPolarHBondContact O-CG 3.45Å; K342-Y369 WeakPolarHBondContact CA-OH 3.2Å; K342-Y369 PolarHBondContact N-OH 3.08Å
343	S	97.6	Very high	96.2	Very high	52 Å²	52	25.6 Å²	25.6	36%	0.364	14%	0.14	S	C	.	.	H	α-helix	trans	-66.5	-40	179.7	-57	0	0	0	0	112.2	N339 T340 L341 E346 A347	N339-S343 PolarHBondContact O-N 2.05Å; N339-S343 VanDerWaalsContact O-N 3.17Å; N339-S343 PolarHBondContact O-OG 2.99Å; N339-S343 VanDerWaalsContact O-OG 3.08Å; T340-S343 WeakPolarHBondContact O-CB 3.31Å; T340-S343 PolarHBondContact O-N 2.79Å; T340-S343 VanDerWaalsContact O-N 3.11Å; L341-S343 VanDerWaalsContact C-N 3.28Å; L341-S343 PolarHBondContact O-N 3.49Å; S343-E346 PolarHBondContact O-N 3.38Å; S343-A347 PolarHBondContact O-N 2.76Å
344	V	98.1	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.1	-47.8	174.5	167.4	0	0	0	0	110.9	W303 L336 T340 L341 E346 A347 L348 F389 Y404	W303-V344 HydrophobicContact CD2-CG1 3.89Å; W303-V344 HydrophobicContact CE3-CG1 3.43Å; W303-V344 VanDerWaalsContact CE3-CG1 3.43Å; W303-V344 HydrophobicContact CE3-CG2 4.46Å; W303-V344 HydrophobicContact CH2-CG1 3.94Å; W303-V344 HydrophobicContact CZ2-CG1 4.35Å; W303-V344 HydrophobicContact CZ3-CG1 3.46Å; W303-V344 VanDerWaalsContact CZ3-CG1 3.46Å; W303-V344 HydrophobicContact CZ3-CG2 4.41Å; L336-V344 HydrophobicContact CD1-CG2 4.25Å; T340-V344 HydrophobicContact CG2-CG2 4.48Å; T340-V344 WeakPolarHBondContact O-CG2 3.24Å; T340-V344 PolarHBondContact O-N 2.72Å; L341-V344 PolarHBondContact O-N 2.89Å; V344-E346 VanDerWaalsContact C-N 3.29Å; V344-E346 PolarHBondContact O-N 3.08Å; V344-A347 PolarHBondContact O-N 3.39Å; V344-A347 VanDerWaalsContact O-N 3.14Å; V344-L348 WeakPolarHBondContact O-CB 3.32Å; V344-L348 PolarHBondContact O-N 3.3Å; V344-F389 HydrophobicContact CG2-CD1 3.97Å; V344-F389 HydrophobicContact CG2-CD2 4.38Å; V344-F389 HydrophobicContact CG2-CE1 3.74Å; V344-F389 HydrophobicContact CG2-CE2 4.19Å; V344-F389 HydrophobicContact CG2-CG 4.27Å; V344-F389 HydrophobicContact CG2-CZ 3.86Å; V344-Y404 HydrophobicContact CG1-CE1 4.46Å
345	V	97.6	Very high	95.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-37.7	178.5	169.5	0	0	0	0	111.2	I294 L341 K342 A347 L348 R349 P368 Y369 L372	I294-V345 HydrophobicContact CD1-CG2 4.06Å; L341-V345 HydrophobicContact CD1-CG2 4.2Å; L341-V345 HydrophobicContact CG-CG2 4.38Å; L341-V345 WeakPolarHBondContact O-CG2 3.38Å; L341-V345 PolarHBondContact O-N 2.81Å; K342-V345 PolarHBondContact O-N 2.85Å; V345-A347 VanDerWaalsContact C-N 3.31Å; V345-A347 PolarHBondContact O-N 2.99Å; V345-L348 WeakPolarHBondContact O-CB 3.48Å; V345-L348 PolarHBondContact O-N 2.9Å; V345-R349 WeakPolarHBondContact O-CG 3.17Å; V345-R349 PolarHBondContact O-N 2.69Å; V345-R349 VanDerWaalsContact O-N 3.1Å; V345-P368 HydrophobicContact CB-CG 4.08Å; V345-P368 HydrophobicContact CG1-CB 4.11Å; V345-P368 HydrophobicContact CG1-CG 3.77Å; V345-Y369 HydrophobicContact CB-CD1 4.19Å; V345-Y369 HydrophobicContact CB-CE1 4.08Å; V345-Y369 HydrophobicContact CG1-CD1 3.86Å; V345-Y369 HydrophobicContact CG1-CE1 4.27Å; V345-Y369 HydrophobicContact CG2-CD1 3.96Å; V345-Y369 HydrophobicContact CG2-CE1 3.74Å; V345-L372 HydrophobicContact CG1-CB 4.11Å; V345-L372 HydrophobicContact CG1-CD2 3.88Å; V345-L372 HydrophobicContact CG1-CG 4.46Å
346	E	96.8	Very high	95.3	Very high	66 Å²	66	30.9 Å²	30.9	31%	0.308	17%	0.166	S	C	.	.	H	α-helix	trans	-61.3	-40	175.4	-162.8	175.3	129.2	0	0	112.5	K342 S343 V344 Y350 P368 K385	K342-E346 PolarHBondContact O-N 3.21Å; S343-E346 PolarHBondContact O-N 3.38Å; V344-E346 VanDerWaalsContact C-N 3.29Å; V344-E346 PolarHBondContact O-N 3.08Å; E346-Y350 WeakPolarHBondContact O-CD2 3.43Å; E346-P368 HydrophobicContact CB-CB 4.17Å; E346-P368 HydrophobicContact CB-CG 4.05Å; E346-P368 HydrophobicContact CG-CB 4.38Å; E346-K385 IonicContact OE1-NZ 2.63Å; E346-K385 PolarHBondContact OE1-NZ 2.96Å
347	A	97.2	Very high	95.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69.2	-41.1	172.9	0	0	0	0	0	112.2	S343 V344 V345 R349 Y350 K385 V387 Y404 T406	S343-A347 PolarHBondContact O-N 2.76Å; V344-A347 PolarHBondContact O-N 3.39Å; V344-A347 VanDerWaalsContact O-N 3.14Å; V345-A347 VanDerWaalsContact C-N 3.31Å; V345-A347 PolarHBondContact O-N 2.99Å; A347-R349 PolarHBondContact O-N 2.97Å; A347-R349 VanDerWaalsContact O-N 3.1Å; A347-Y350 WeakPolarHBondContact O-CB 3.41Å; A347-Y350 PolarHBondContact O-N 2.81Å; A347-K385 HydrophobicContact CB-CG 4.04Å; A347-V387 HydrophobicContact CB-CB 4.47Å; A347-V387 HydrophobicContact CB-CG2 3.78Å; A347-Y404 HydrophobicContact CB-CD1 3.54Å; A347-Y404 HydrophobicContact CB-CE1 3.68Å; A347-T406 HydrophobicContact CB-CG2 3.94Å; A347-T406 WeakPolarHBondContact O-CG2 3.37Å; A347-T406 PolarHBondContact O-OG1 2.86Å
348	L	96.8	Very high	95.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57.1	-27.4	177.4	-175.3	68.2	0	0	0	112.2	Y275 I294 V344 V345 Y350 E351 P353 L372 Y404	Y275-L348 HydrophobicContact CE1-CD2 4.23Å; Y275-L348 HydrophobicContact CE2-CD1 4.38Å; I294-L348 HydrophobicContact CD1-CD2 3.75Å; V344-L348 WeakPolarHBondContact O-CB 3.32Å; V344-L348 PolarHBondContact O-N 3.3Å; V345-L348 WeakPolarHBondContact O-CB 3.48Å; V345-L348 PolarHBondContact O-N 2.9Å; L348-Y350 VanDerWaalsContact C-N 3.25Å; L348-Y350 PolarHBondContact O-N 2.85Å; L348-E351 VanDerWaalsContact CD1-CD 3.43Å; L348-E351 HydrophobicContact CD1-CG 3.95Å; L348-E351 WeakPolarHBondContact CD1-OE1 3.26Å; L348-E351 WeakPolarHBondContact O-CG 3.22Å; L348-E351 PolarHBondContact O-N 3.09Å; L348-P353 HydrophobicContact CD1-CG 4.24Å; L348-P353 HydrophobicContact CD2-CG 4.41Å; L348-P353 HydrophobicContact CG-CG 4Å; L348-P353 WeakPolarHBondContact O-CD 3.31Å; L348-L372 HydrophobicContact CB-CD1 4.34Å; L348-L372 HydrophobicContact CD2-CD1 3.92Å; L348-L372 HydrophobicContact CD2-CD2 3.82Å; L348-L372 HydrophobicContact CG-CD1 3.88Å; L348-Y404 HydrophobicContact CB-CE1 4.43Å; L348-Y404 WeakPolarHBondContact CD1-OH 3.35Å
349	R	95.5	Very high	95.2	Very high	17 Å²	17	37.8 Å²	37.8	6%	0.064	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-64.9	-25.7	174.2	-67.8	173.9	64.3	-155	-0.8	114.1	V345 A347 E351 A352 P368 L372 Q376 S378 L380	V345-R349 WeakPolarHBondContact O-CG 3.17Å; V345-R349 PolarHBondContact O-N 2.69Å; V345-R349 VanDerWaalsContact O-N 3.1Å; A347-R349 PolarHBondContact O-N 2.97Å; A347-R349 VanDerWaalsContact O-N 3.1Å; R349-E351 PolarHBondContact O-N 3.07Å; R349-A352 PolarHBondContact O-N 2.82Å; R349-A352 VanDerWaalsContact O-N 3.16Å; R349-P368 WeakPolarHBondContact CD-O 3.44Å; R349-L372 HydrophobicContact CG-CB 4.04Å; R349-L372 HydrophobicContact CG-CD1 3.95Å; R349-Q376 PolarHBondContact NH2-O 2.61Å; R349-S378 PolarHBondContact NH2-O 2.78Å; R349-L380 HydrophobicContact CB-CD2 3.89Å
350	Y	95.3	Very high	95.3	Very high	9 Å²	9	32.7 Å²	32.7	4%	0.035	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-69	-21.2	179.6	-79	-107.7	0	0	0	112.7	E346 A347 L348 L380 W381 K385 K407 T408	E346-Y350 WeakPolarHBondContact O-CD2 3.43Å; A347-Y350 WeakPolarHBondContact O-CB 3.41Å; A347-Y350 PolarHBondContact O-N 2.81Å; L348-Y350 VanDerWaalsContact C-N 3.25Å; L348-Y350 PolarHBondContact O-N 2.85Å; Y350-L380 HydrophobicContact CD2-CD2 3.76Å; Y350-L380 HydrophobicContact CE2-CD2 3.53Å; Y350-L380 HydrophobicContact CG-CD2 4.42Å; Y350-W381 PolarHBondContact OH-N 3.15Å; Y350-W381 PolarHBondContact OH-O 3.13Å; Y350-K385 HydrophobicContact CD1-CB 3.93Å; Y350-K385 HydrophobicContact CD2-CB 3.48Å; Y350-K385 VanDerWaalsContact CD2-CB 3.48Å; Y350-K385 HydrophobicContact CD2-CG 4.14Å; Y350-K385 HydrophobicContact CE1-CB 3.87Å; Y350-K385 HydrophobicContact CE2-CB 3.43Å; Y350-K385 VanDerWaalsContact CE2-CB 3.43Å; Y350-K385 HydrophobicContact CE2-CD 3.87Å; Y350-K385 HydrophobicContact CE2-CG 3.85Å; Y350-K385 HydrophobicContact CG-CB 3.74Å; Y350-K407 CarbonylContact O-C 3.59Å; Y350-T408 HydrophobicContact CD1-CG2 4.16Å; Y350-T408 WeakPolarHBondContact O-CA 3.47Å; Y350-T408 WeakPolarHBondContact O-CG2 3.02Å; Y350-T408 PolarHBondContact O-N 3.08Å
351	E	93	Very high	95.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-94.8	-5.8	175.1	54.2	174.2	-108.6	0	0	113.2	S288 N290 L348 R349 Y404 P498 S500	S288-E351 WeakPolarHBondContact CB-O 3.28Å; N290-E351 WeakPolarHBondContact CB-OE1 3.39Å; N290-E351 PolarHBondContact ND2-OE1 3.1Å; N290-E351 PolarHBondContact ND2-OE2 2.87Å; L348-E351 VanDerWaalsContact CD1-CD 3.43Å; L348-E351 HydrophobicContact CD1-CG 3.95Å; L348-E351 WeakPolarHBondContact CD1-OE1 3.26Å; L348-E351 WeakPolarHBondContact O-CG 3.22Å; L348-E351 PolarHBondContact O-N 3.09Å; R349-E351 PolarHBondContact O-N 3.07Å; E351-Y404 VanDerWaalsContact CD-OH 3.28Å; E351-Y404 PolarHBondContact OE2-OH 2.82Å; E351-P498 HydrophobicContact CB-CB 4.15Å; E351-P498 VanDerWaalsContact O-CB 3.24Å; E351-P498 WeakPolarHBondContact O-CB 3.42Å; E351-S500 WeakPolarHBondContact OE2-CB 3.37Å; E351-S500 PolarHBondContact OE2-OG 2.88Å; E351-S500 VanDerWaalsContact OE2-OG 3.09Å
352	A	89.9	Confident	94.9	Very high	60 Å²	60	36.6 Å²	36.6	50%	0.496	20%	0.199	S	C	.	.			trans	46.1	60.2	177.7	0	0	0	0	0	113	R349	R349-A352 PolarHBondContact O-N 2.82Å; R349-A352 VanDerWaalsContact O-N 3.16Å
353	P	92.8	Very high	94.7	Very high	12 Å²	12	35.8 Å²	35.8	8%	0.078	21%	0.209	C	C	.	.			trans	-68	151.4	-176.5	33.1	-37.2	0	0	0	110.8	Y275 L348 V355 L372	Y275-P353 HydrophobicContact CD2-CB 3.67Å; Y275-P353 HydrophobicContact CD2-CG 4.48Å; Y275-P353 HydrophobicContact CE2-CB 4.43Å; Y275-P353 HydrophobicContact CG-CB 4.01Å; L348-P353 HydrophobicContact CD1-CG 4.24Å; L348-P353 HydrophobicContact CD2-CG 4.41Å; L348-P353 HydrophobicContact CG-CG 4Å; L348-P353 WeakPolarHBondContact O-CD 3.31Å; P353-V355 PolarHBondContact O-N 3.01Å; P353-L372 HydrophobicContact CG-CD1 3.69Å
354	V	91.5	Very high	94.6	Very high	19 Å²	19	33.6 Å²	33.6	12%	0.115	19%	0.193	C	C	.	.			trans	-84.6	97.7	177.5	-177.6	0	0	0	0	109	Y275 S276 S279 I280 L282 K287	Y275-V354 CarbonylContact C-O 3.27Å; Y275-V354 WeakPolarHBondContact CA-O 3.49Å; Y275-V354 WeakPolarHBondContact CB-O 3.38Å; S276-V354 PolarHBondContact N-O 2.68Å; S276-V354 WeakPolarHBondContact O-CB 3.19Å; S279-V354 WeakPolarHBondContact OG-CG1 3.44Å; I280-V354 HydrophobicContact CB-CG1 4.28Å; I280-V354 HydrophobicContact CD1-CG1 4.09Å; I280-V354 HydrophobicContact CG1-CG1 4.33Å; L282-V354 HydrophobicContact CD1-CG2 4.21Å; K287-V354 HydrophobicContact CD-CG2 4.26Å; K287-V354 HydrophobicContact CG-CG2 4.34Å
355	V	93	Very high	94.5	Very high	27 Å²	27	39.1 Å²	39.1	16%	0.164	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.4	173.8	178.8	0	0	0	0	109.4	I273 W274 P353 Q358 V373	I273-V355 HydrophobicContact CG2-CG1 3.87Å; I273-V355 HydrophobicContact CG2-CG2 3.84Å; W274-V355 WeakPolarHBondContact O-CA 3.41Å; P353-V355 PolarHBondContact O-N 3.01Å; V355-Q358 HydrophobicContact CG1-CB 3.97Å; V355-Q358 HydrophobicContact CG1-CG 4.36Å; V355-V373 HydrophobicContact CG1-CG2 4.45Å
356	Y	91.5	Very high	94.3	Very high	66 Å²	66	43.3 Å²	43.3	26%	0.259	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	-19.9	-177.2	70.1	-92.4	0	0	0	114.2	W274	W274-Y356 HydrophobicContact CB-CD1 4.26Å; W274-Y356 HydrophobicContact CB-CE1 3.64Å; W274-Y356 HydrophobicContact CB-CE2 4.01Å; W274-Y356 AromaticContact CD1-CZ 3.99Å; W274-Y356 WeakPolarHBondContact O-CD1 3.45Å; W274-Y356 PolarHBondContact O-N 2.9Å
357	W	93.9	Very high	94.3	Very high	104 Å²	104	42.9 Å²	42.9	39%	0.394	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	131.9	173.7	-173	-101.6	0	0	0	109.1	W274 T314	W274-W357 HydrophobicContact CB-CB 3.95Å; W274-W357 AromaticContact CD2-CD1 3.95Å; W274-W357 AromaticContact CE3-CD1 3.93Å; W274-W357 HydrophobicContact CG-CB 4.13Å; W274-W357 PolarHBondContact N-O 3.43Å; T314-W357 HydrophobicContact CG2-CD2 3.71Å; T314-W357 HydrophobicContact CG2-CE3 4.13Å; T314-W357 HydrophobicContact CG2-CG 3.89Å; T314-W357 HydrophobicContact CG2-CZ2 4.28Å
358	Q	95.3	Very high	94.2	Very high	89 Å²	89	43 Å²	43	42%	0.416	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	150.7	-175	66.1	104.3	17.6	0	0	114	R272 V355 V373	R272-Q358 CarbonylContact O-C 3.57Å; R272-Q358 WeakPolarHBondContact O-CA 3.45Å; V355-Q358 HydrophobicContact CG1-CB 3.97Å; V355-Q358 HydrophobicContact CG1-CG 4.36Å; Q358-V373 HydrophobicContact CB-CG1 4.36Å; Q358-V373 HydrophobicContact CB-CG2 4.34Å; Q358-V373 HydrophobicContact CG-CG1 3.73Å; Q358-V373 VanDerWaalsContact OE1-CG1 3.29Å
359	N	96	Very high	94.2	Very high	42 Å²	42	43.1 Å²	43.1	23%	0.225	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	121	163.6	-179.5	65	0	0	0	108	L267 R268 T270 M271 R272 P361	L267-N359 PolarHBondContact O-ND2 2.81Å; L267-N359 VanDerWaalsContact O-ND2 3.1Å; R268-N359 PolarHBondContact O-ND2 2.77Å; R268-N359 VanDerWaalsContact O-ND2 3.17Å; T270-N359 PolarHBondContact O-ND2 3.3Å; M271-N359 WeakPolarHBondContact CA-O 3.12Å; R272-N359 HydrophobicContact CB-CB 4.07Å; R272-N359 PolarHBondContact N-O 2.95Å; R272-N359 PolarHBondContact O-N 2.74Å; N359-P361 WeakPolarHBondContact O-CD 3.37Å
360	L	96.3	Very high	94.3	Very high	18 Å²	18	45.7 Å²	45.7	9%	0.094	26%	0.26	C	S	.	.			trans	-112.2	99	173.4	-68	-178.1	0	0	0	109.7	M271 I273 Q365 V373	M271-L360 HydrophobicContact CG-CD2 3.73Å; M271-L360 HydrophobicContact SD-CD2 4.04Å; I273-L360 HydrophobicContact CD1-CD2 4.14Å; I273-L360 HydrophobicContact CG1-CD2 4.42Å; L360-Q365 HydrophobicContact CB-CG 4.14Å; L360-Q365 PolarHBondContact O-NE2 2.7Å; L360-V373 HydrophobicContact CD1-CB 4.03Å; L360-V373 HydrophobicContact CD1-CG1 4.42Å; L360-V373 HydrophobicContact CD1-CG2 3.74Å; L360-V373 HydrophobicContact CD2-CG2 4.22Å; L360-V373 HydrophobicContact CG-CG2 4.09Å
361	P	94.9	Very high	94.3	Very high	16 Å²	16	46.6 Å²	46.6	10%	0.104	27%	0.265	C	S	.	.			trans	-56.2	159.2	167.6	-16.5	25.6	0	0	0	110.7	R268 N269 N359 A363 Y364 Q365	R268-P361 WeakPolarHBondContact O-CG 3.17Å; N269-P361 VanDerWaalsContact O-CG 3.29Å; N269-P361 WeakPolarHBondContact O-CG 3.36Å; N359-P361 WeakPolarHBondContact O-CD 3.37Å; P361-A363 PolarHBondContact O-N 2.8Å; P361-Y364 HydrophobicContact CB-CD2 4.19Å; P361-Y364 HydrophobicContact CG-CD2 3.97Å; P361-Y364 HydrophobicContact CG-CE2 4.41Å; P361-Y364 PolarHBondContact O-N 2.7Å; P361-Q365 PolarHBondContact O-N 3.22Å
362	A	93.6	Very high	94.4	Very high	82 Å²	82	46.9 Å²	46.9	68%	0.678	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-51.5	-36.8	-176	0	0	0	0	0	113.5	Y364 Q365	A362-Y364 PolarHBondContact O-N 3.16Å; A362-Q365 PolarHBondContact O-N 2.98Å
363	A	92	Very high	94.6	Very high	72 Å²	72	45.5 Å²	45.5	60%	0.595	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-62.3	-25.1	177.2	0	0	0	0	0	114.2	P361	P361-A363 PolarHBondContact O-N 2.8Å
364	Y	95.3	Very high	94.6	Very high	7 Å²	7	48.4 Å²	48.4	3%	0.027	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-105.1	4.1	-179.9	-59.8	-89	0	0	0	113	M271 S296 Q338 P361 A362 I366 Y369	M271-Y364 HydrophobicContact CB-CD1 4.08Å; M271-Y364 HydrophobicContact CB-CD2 3.64Å; M271-Y364 HydrophobicContact CB-CE1 4.1Å; M271-Y364 HydrophobicContact CB-CE2 3.67Å; M271-Y364 HydrophobicContact CB-CG 3.83Å; M271-Y364 HydrophobicContact CE-CD1 4.33Å; M271-Y364 HydrophobicContact CE-CE1 4.3Å; M271-Y364 HydrophobicContact CG-CD1 4Å; M271-Y364 HydrophobicContact CG-CD2 4.12Å; M271-Y364 HydrophobicContact CG-CE1 4.42Å; M271-Y364 HydrophobicContact CG-CG 3.8Å; M271-Y364 HydrophobicContact SD-CD1 3.21Å; M271-Y364 WeakPolarHBondContact SD-CD1 3.41Å; M271-Y364 HydrophobicContact SD-CD2 4.4Å; M271-Y364 HydrophobicContact SD-CE1 3.73Å; M271-Y364 HydrophobicContact SD-CG 3.59Å; M271-Y364 VanDerWaalsContact SD-CG 3.59Å; S296-Y364 WeakPolarHBondContact CB-OH 3.36Å; S296-Y364 PolarHBondContact OG-OH 3.13Å; Q338-Y364 PolarHBondContact NE2-OH 2.57Å; P361-Y364 HydrophobicContact CB-CD2 4.19Å; P361-Y364 HydrophobicContact CG-CD2 3.97Å; P361-Y364 HydrophobicContact CG-CE2 4.41Å; P361-Y364 PolarHBondContact O-N 2.7Å; A362-Y364 PolarHBondContact O-N 3.16Å; Y364-I366 PolarHBondContact O-N 3.32Å; Y364-Y369 HydrophobicContact CD1-CD1 4.38Å; Y364-Y369 AromaticContact CD1-CD2 3.94Å; Y364-Y369 HydrophobicContact CD1-CD2 3.94Å; Y364-Y369 HydrophobicContact CD1-CE1 4.23Å; Y364-Y369 AromaticContact CD1-CE2 3.75Å; Y364-Y369 HydrophobicContact CD1-CE2 3.75Å; Y364-Y369 HydrophobicContact CD1-CG 4.25Å; Y364-Y369 AromaticContact CD1-CZ 3.9Å; Y364-Y369 HydrophobicContact CE1-CE2 4.4Å; Y364-Y369 VanDerWaalsContact O-CB 3.31Å; Y364-Y369 WeakPolarHBondContact O-CB 3.36Å
365	Q	95.6	Very high	94.4	Very high	115 Å²	115	50.1 Å²	50.1	54%	0.537	29%	0.29	S	S	.	.	S	Bend	trans	-79.5	46.1	172.6	-66.1	-179.6	9	0	0	111.5	L360 P361 A362	L360-Q365 HydrophobicContact CB-CG 4.14Å; L360-Q365 PolarHBondContact O-NE2 2.7Å; P361-Q365 PolarHBondContact O-N 3.22Å; A362-Q365 PolarHBondContact O-N 2.98Å
366	I	95	Very high	94.2	Very high	89 Å²	89	54 Å²	54	46%	0.456	31%	0.307	S	S	.	.	S	Bend	trans	-138.1	166.7	-176.3	61.3	171.8	0	0	0	109.7	Y364 Y369 L370	Y364-I366 PolarHBondContact O-N 3.32Å; I366-Y369 HydrophobicContact CG1-CD2 4.19Å; I366-Y369 PolarHBondContact O-N 2.97Å; I366-L370 PolarHBondContact O-N 2.7Å; I366-L370 VanDerWaalsContact O-N 3.08Å
367	S	95.5	Very high	93.8	Very high	57 Å²	57	55 Å²	55	40%	0.399	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	136.8	173.5	-154.7	0	0	0	0	111.9	E371	S367-E371 WeakPolarHBondContact CA-OE2 3.23Å; S367-E371 VanDerWaalsContact CB-OE1 3.24Å; S367-E371 WeakPolarHBondContact CB-OE1 3.28Å; S367-E371 WeakPolarHBondContact CB-OE2 3.34Å; S367-E371 VanDerWaalsContact OG-CD 3.23Å; S367-E371 PolarHBondContact OG-OE1 3.45Å; S367-E371 PolarHBondContact OG-OE2 2.89Å; S367-E371 VanDerWaalsContact OG-OE2 3.13Å
368	P	96.2	Very high	93.4	Very high	1 Å²	1	53 Å²	53	1%	0.006	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95.6	1.2	7	35.2	-32.5	0	0	0	115.4	K342 V345 E346 R349 L372	K342-P368 HydrophobicContact CG-CG 4.05Å; K342-P368 WeakPolarHBondContact O-CG 3.45Å; V345-P368 HydrophobicContact CB-CG 4.08Å; V345-P368 HydrophobicContact CG1-CB 4.11Å; V345-P368 HydrophobicContact CG1-CG 3.77Å; E346-P368 HydrophobicContact CB-CB 4.17Å; E346-P368 HydrophobicContact CB-CG 4.05Å; E346-P368 HydrophobicContact CG-CB 4.38Å; R349-P368 WeakPolarHBondContact CD-O 3.44Å; P368-L372 PolarHBondContact O-N 2.89Å; P368-L372 VanDerWaalsContact O-N 3.1Å
369	Y	96.8	Very high	92.7	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-68.5	-42.6	-172	-54.2	-73	0	0	0	112.8	M271 L341 K342 V345 Y364 I366 E371 L372 V373	M271-Y369 HydrophobicContact CE-CD1 4.26Å; M271-Y369 HydrophobicContact CE-CE1 4.17Å; M271-Y369 HydrophobicContact SD-CD1 3.61Å; M271-Y369 HydrophobicContact SD-CE1 3.93Å; M271-Y369 HydrophobicContact SD-CG 4.13Å; L341-Y369 HydrophobicContact CD2-CE1 4.11Å; L341-Y369 HydrophobicContact CG-CE1 4.15Å; K342-Y369 WeakPolarHBondContact CA-OH 3.2Å; K342-Y369 PolarHBondContact N-OH 3.08Å; V345-Y369 HydrophobicContact CB-CD1 4.19Å; V345-Y369 HydrophobicContact CB-CE1 4.08Å; V345-Y369 HydrophobicContact CG1-CD1 3.86Å; V345-Y369 HydrophobicContact CG1-CE1 4.27Å; V345-Y369 HydrophobicContact CG2-CD1 3.96Å; V345-Y369 HydrophobicContact CG2-CE1 3.74Å; Y364-Y369 HydrophobicContact CD1-CD1 4.38Å; Y364-Y369 AromaticContact CD1-CD2 3.94Å; Y364-Y369 HydrophobicContact CD1-CD2 3.94Å; Y364-Y369 HydrophobicContact CD1-CE1 4.23Å; Y364-Y369 AromaticContact CD1-CE2 3.75Å; Y364-Y369 HydrophobicContact CD1-CE2 3.75Å; Y364-Y369 HydrophobicContact CD1-CG 4.25Å; Y364-Y369 AromaticContact CD1-CZ 3.9Å; Y364-Y369 HydrophobicContact CE1-CE2 4.4Å; Y364-Y369 VanDerWaalsContact O-CB 3.31Å; Y364-Y369 WeakPolarHBondContact O-CB 3.36Å; I366-Y369 HydrophobicContact CG1-CD2 4.19Å; I366-Y369 PolarHBondContact O-N 2.97Å; Y369-E371 PolarHBondContact O-N 2.7Å; Y369-L372 WeakPolarHBondContact O-CB 3.33Å; Y369-L372 PolarHBondContact O-N 3.45Å; Y369-V373 PolarHBondContact O-N 3.06Å; Y369-V373 VanDerWaalsContact O-N 3.13Å
370	L	96.3	Very high	92.4	Very high	70 Å²	70	51.4 Å²	51.4	37%	0.366	33%	0.333	S	S	.	.	H	α-helix	trans	-60.2	-46.9	178.9	179.9	61.7	0	0	0	111.1	I366 L372 V373 T374	I366-L370 PolarHBondContact O-N 2.7Å; I366-L370 VanDerWaalsContact O-N 3.08Å; L370-L372 VanDerWaalsContact C-N 3.34Å; L370-L372 PolarHBondContact O-N 3Å; L370-V373 PolarHBondContact O-N 2.91Å; L370-T374 HydrophobicContact CD1-CG2 4.02Å; L370-T374 HydrophobicContact CG-CG2 4.44Å; L370-T374 WeakPolarHBondContact O-CB 3.43Å; L370-T374 VanDerWaalsContact O-CG2 3.26Å; L370-T374 WeakPolarHBondContact O-CG2 3.47Å; L370-T374 PolarHBondContact O-N 2.91Å; L370-T374 PolarHBondContact O-OG1 3.37Å
371	E	95.3	Very high	91.9	Very high	29 Å²	29	61.2 Å²	61.2	14%	0.136	37%	0.369	C	S	.	.	H	α-helix	trans	-69.2	-32.3	-180	-63	90.7	151.6	0	0	112.5	S367 Y369 T374 G375 Q376	S367-E371 WeakPolarHBondContact CA-OE2 3.23Å; S367-E371 VanDerWaalsContact CB-OE1 3.24Å; S367-E371 WeakPolarHBondContact CB-OE1 3.28Å; S367-E371 WeakPolarHBondContact CB-OE2 3.34Å; S367-E371 VanDerWaalsContact OG-CD 3.23Å; S367-E371 PolarHBondContact OG-OE1 3.45Å; S367-E371 PolarHBondContact OG-OE2 2.89Å; S367-E371 VanDerWaalsContact OG-OE2 3.13Å; Y369-E371 PolarHBondContact O-N 2.7Å; E371-T374 WeakPolarHBondContact CA-OG1 3.47Å; E371-T374 PolarHBondContact O-OG1 3.12Å; E371-G375 CarbonylContact O-C 3.44Å; E371-G375 WeakPolarHBondContact O-CA 3.18Å; E371-G375 PolarHBondContact O-N 2.68Å; E371-Q376 HydrophobicContact CB-CB 4.19Å; E371-Q376 HydrophobicContact CG-CB 4.22Å; E371-Q376 PolarHBondContact O-N 2.83Å
372	L	95.5	Very high	91.8	Very high	6 Å²	6	63 Å²	63	3%	0.031	39%	0.391	C	S	.	.	H	α-helix	trans	-58.9	-52.3	171.7	-179.5	75.3	0	0	0	110.8	I273 V345 L348 R349 P353 P368 Y369 L370 G375	I273-L372 HydrophobicContact CD1-CD2 3.87Å; I273-L372 HydrophobicContact CG2-CD2 4.22Å; V345-L372 HydrophobicContact CG1-CB 4.11Å; V345-L372 HydrophobicContact CG1-CD2 3.88Å; V345-L372 HydrophobicContact CG1-CG 4.46Å; L348-L372 HydrophobicContact CB-CD1 4.34Å; L348-L372 HydrophobicContact CD2-CD1 3.92Å; L348-L372 HydrophobicContact CD2-CD2 3.82Å; L348-L372 HydrophobicContact CG-CD1 3.88Å; R349-L372 HydrophobicContact CG-CB 4.04Å; R349-L372 HydrophobicContact CG-CD1 3.95Å; P353-L372 HydrophobicContact CG-CD1 3.69Å; P368-L372 PolarHBondContact O-N 2.89Å; P368-L372 VanDerWaalsContact O-N 3.1Å; Y369-L372 WeakPolarHBondContact O-CB 3.33Å; Y369-L372 PolarHBondContact O-N 3.45Å; L370-L372 VanDerWaalsContact C-N 3.34Å; L370-L372 PolarHBondContact O-N 3Å; L372-G375 PolarHBondContact O-N 3.24Å
373	V	94.4	Very high	91.9	Very high	30 Å²	30	60.8 Å²	60.8	18%	0.182	37%	0.371	C	S	.	.	H	α-helix	trans	-68.2	-40.5	-176.7	168.8	0	0	0	0	112.1	I273 V355 Q358 L360 Y369 L370 G375	I273-V373 HydrophobicContact CD1-CG2 3.97Å; I273-V373 HydrophobicContact CG1-CG2 4.28Å; V355-V373 HydrophobicContact CG1-CG2 4.45Å; Q358-V373 HydrophobicContact CB-CG1 4.36Å; Q358-V373 HydrophobicContact CB-CG2 4.34Å; Q358-V373 HydrophobicContact CG-CG1 3.73Å; Q358-V373 VanDerWaalsContact OE1-CG1 3.29Å; L360-V373 HydrophobicContact CD1-CB 4.03Å; L360-V373 HydrophobicContact CD1-CG1 4.42Å; L360-V373 HydrophobicContact CD1-CG2 3.74Å; L360-V373 HydrophobicContact CD2-CG2 4.22Å; L360-V373 HydrophobicContact CG-CG2 4.09Å; Y369-V373 PolarHBondContact O-N 3.06Å; Y369-V373 VanDerWaalsContact O-N 3.13Å; L370-V373 PolarHBondContact O-N 2.91Å; V373-G375 VanDerWaalsContact C-N 3.27Å; V373-G375 PolarHBondContact O-N 3.12Å
374	T	92.3	Very high	92.1	Very high	73 Å²	73	60.5 Å²	60.5	45%	0.448	36%	0.358	S	S	.	.	H	α-helix	trans	-77.6	-10.4	179.2	58.1	0	0	0	0	113.6	L370 E371 Q376	L370-T374 HydrophobicContact CD1-CG2 4.02Å; L370-T374 HydrophobicContact CG-CG2 4.44Å; L370-T374 WeakPolarHBondContact O-CB 3.43Å; L370-T374 VanDerWaalsContact O-CG2 3.26Å; L370-T374 WeakPolarHBondContact O-CG2 3.47Å; L370-T374 PolarHBondContact O-N 2.91Å; L370-T374 PolarHBondContact O-OG1 3.37Å; E371-T374 WeakPolarHBondContact CA-OG1 3.47Å; E371-T374 PolarHBondContact O-OG1 3.12Å; T374-Q376 PolarHBondContact O-N 3.37Å; T374-Q376 WeakPolarHBondContact OG1-CG 3.15Å
375	G	88.8	Confident	92.1	Very high	55 Å²	55	62.9 Å²	62.9	57%	0.567	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	15.9	-175	0	0	0	0	0	114.3	E371 L372 V373 S377	E371-G375 CarbonylContact O-C 3.44Å; E371-G375 WeakPolarHBondContact O-CA 3.18Å; E371-G375 PolarHBondContact O-N 2.68Å; L372-G375 PolarHBondContact O-N 3.24Å; V373-G375 VanDerWaalsContact C-N 3.27Å; V373-G375 PolarHBondContact O-N 3.12Å; G375-S377 PolarHBondContact O-N 3.06Å
376	Q	87.6	Confident	92.2	Very high	108 Å²	108	60.7 Å²	60.7	51%	0.505	36%	0.36	S	S	.	.			trans	-73.7	126.9	-179	-73.8	-177.3	-7.7	0	0	112.2	R349 E371 T374 S378	R349-Q376 PolarHBondContact NH2-O 2.61Å; E371-Q376 HydrophobicContact CB-CB 4.19Å; E371-Q376 HydrophobicContact CG-CB 4.22Å; E371-Q376 PolarHBondContact O-N 2.83Å; T374-Q376 PolarHBondContact O-N 3.37Å; T374-Q376 WeakPolarHBondContact OG1-CG 3.15Å; Q376-S378 VanDerWaalsContact C-N 3.29Å; Q376-S378 PolarHBondContact O-N 3.24Å
377	S	84.2	Confident	92.3	Very high	88 Å²	88	57.3 Å²	57.3	62%	0.615	34%	0.343	S	S	*	.			trans	-85.8	6.8	177.7	-47.7	0	0	0	0	114.4	G375 G379 L380	G375-S377 PolarHBondContact O-N 3.06Å; S377-G379 PolarHBondContact O-N 2.91Å; S377-L380 WeakPolarHBondContact O-CG 3.45Å; S377-L380 PolarHBondContact O-N 3.08Å
378	S	83.7	Confident	92.5	Very high	62 Å²	62	59.4 Å²	59.4	43%	0.434	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	132.6	179.5	43.4	0	0	0	0	111.6	R349 Q376 L380	R349-S378 PolarHBondContact NH2-O 2.78Å; Q376-S378 VanDerWaalsContact C-N 3.29Å; Q376-S378 PolarHBondContact O-N 3.24Å; S378-L380 VanDerWaalsContact C-N 3.31Å; S378-L380 PolarHBondContact O-N 2.89Å
379	G	82.2	Confident	92.5	Very high	58 Å²	58	60.1 Å²	60.1	60%	0.598	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	1.8	178.1	0	0	0	0	0	115.8	S377 W381	S377-G379 PolarHBondContact O-N 2.91Å; G379-W381 PolarHBondContact O-N 2.86Å
380	L	88.7	Confident	92.6	Very high	39 Å²	39	63 Å²	63	20%	0.204	37%	0.371	C	S	.	.			trans	-70.8	121.9	168	-61.7	-177.4	0	0	0	109.9	R349 Y350 S377 S378	R349-L380 HydrophobicContact CB-CD2 3.89Å; Y350-L380 HydrophobicContact CD2-CD2 3.76Å; Y350-L380 HydrophobicContact CE2-CD2 3.53Å; Y350-L380 HydrophobicContact CG-CD2 4.42Å; S377-L380 WeakPolarHBondContact O-CG 3.45Å; S377-L380 PolarHBondContact O-N 3.08Å; S378-L380 VanDerWaalsContact C-N 3.31Å; S378-L380 PolarHBondContact O-N 2.89Å
381	W	86	Confident	92.7	Very high	224 Å²	224	59.8 Å²	59.8	85%	0.848	36%	0.355	S	S	*	.			trans	-103.8	114.6	175.5	-65.7	-16	0	0	0	110.1	Y350 G379	Y350-W381 PolarHBondContact OH-N 3.15Å; Y350-W381 PolarHBondContact OH-O 3.13Å; G379-W381 PolarHBondContact O-N 2.86Å
382	G	93.2	Very high	92.7	Very high	55 Å²	55	61.1 Å²	61.1	57%	0.567	36%	0.36	S	S	*	.	S	Bend	trans	79.1	-163.2	-177.9	0	0	0	0	0	113.9
383	S	94.4	Very high	92.7	Very high	35 Å²	35	62.2 Å²	62.2	25%	0.245	37%	0.373	C	S	.	.	S	Bend	trans	-116.8	-3.6	-172.8	-57.8	0	0	0	0	113.3	K407 T408 K410	S383-K407 WeakPolarHBondContact O-CA 3.25Å; S383-T408 WeakPolarHBondContact CA-OG1 3.2Å; S383-T408 VanDerWaalsContact CB-OG1 3.31Å; S383-T408 WeakPolarHBondContact CB-OG1 3.39Å; S383-T408 PolarHBondContact O-N 2.89Å; S383-T408 PolarHBondContact O-OG1 3.16Å; S383-K410 WeakPolarHBondContact OG-CD 3.18Å
384	I	96.4	Very high	92.7	Very high	66 Å²	66	64.8 Å²	64.8	34%	0.338	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.2	-175.6	-60.1	159.1	0	0	0	107.6	I386 T406 K407 I412 L418	I384-I386 HydrophobicContact CG2-CD1 4.44Å; I384-I386 HydrophobicContact CG2-CG1 4.05Å; I384-T406 VanDerWaalsContact CA-O 3.31Å; I384-T406 WeakPolarHBondContact CA-O 3.32Å; I384-T406 WeakPolarHBondContact CG2-O 3.42Å; I384-K407 HydrophobicContact CG1-CB 4.42Å; I384-I412 HydrophobicContact CD1-CD1 4.19Å; I384-I412 HydrophobicContact CD1-CG2 4.26Å; I384-I412 HydrophobicContact CG1-CD1 3.84Å; I384-I412 HydrophobicContact CG1-CG2 4.37Å; I384-L418 HydrophobicContact CD1-CD2 3.56Å; I384-L418 HydrophobicContact CG1-CD1 4.34Å; I384-L418 HydrophobicContact CG1-CD2 4.23Å
385	K	96.5	Very high	92.7	Very high	57 Å²	57	63 Å²	63	25%	0.248	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.8	167.2	-177.2	89.6	175.9	-158.6	0	109	E346 A347 Y350 V387 T406	E346-K385 IonicContact OE1-NZ 2.63Å; E346-K385 PolarHBondContact OE1-NZ 2.96Å; A347-K385 HydrophobicContact CB-CG 4.04Å; Y350-K385 HydrophobicContact CD1-CB 3.93Å; Y350-K385 HydrophobicContact CD2-CB 3.48Å; Y350-K385 VanDerWaalsContact CD2-CB 3.48Å; Y350-K385 HydrophobicContact CD2-CG 4.14Å; Y350-K385 HydrophobicContact CE1-CB 3.87Å; Y350-K385 HydrophobicContact CE2-CB 3.43Å; Y350-K385 VanDerWaalsContact CE2-CB 3.43Å; Y350-K385 HydrophobicContact CE2-CD 3.87Å; Y350-K385 HydrophobicContact CE2-CG 3.85Å; Y350-K385 HydrophobicContact CG-CB 3.74Å; K385-V387 HydrophobicContact CG-CG2 4Å; K385-T406 WeakPolarHBondContact CB-OG1 3.37Å; K385-T406 PolarHBondContact N-O 2.89Å; K385-T406 PolarHBondContact O-N 2.85Å; K385-T406 PolarHBondContact O-OG1 2.84Å
386	I	97.4	Very high	92.8	Very high	69 Å²	69	67.7 Å²	67.7	35%	0.354	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.9	175.1	-57.4	177.5	0	0	0	107.1	I384 R403 Y404 I405 T422	I384-I386 HydrophobicContact CG2-CD1 4.44Å; I384-I386 HydrophobicContact CG2-CG1 4.05Å; I386-R403 HydrophobicContact CG2-CG 3.63Å; I386-Y404 WeakPolarHBondContact CA-O 3.24Å; I386-I405 HydrophobicContact CG1-CG1 4.37Å; I386-I405 HydrophobicContact CG1-CG2 4.31Å; I386-I405 HydrophobicContact CG2-CG1 4.31Å; I386-T422 HydrophobicContact CD1-CG2 3.61Å
387	V	97.6	Very high	93	Very high	17 Å²	17	67.5 Å²	67.5	10%	0.103	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.3	177.4	177.5	0	0	0	0	108.2	A347 K385 F389 R403 Y404	A347-V387 HydrophobicContact CB-CB 4.47Å; A347-V387 HydrophobicContact CB-CG2 3.78Å; K385-V387 HydrophobicContact CG-CG2 4Å; V387-F389 HydrophobicContact CG1-CD1 4.17Å; V387-R403 CarbonylContact O-C 3.56Å; V387-R403 WeakPolarHBondContact O-CA 3.13Å; V387-Y404 PolarHBondContact N-O 3.19Å; V387-Y404 PolarHBondContact O-N 3.29Å
388	N	98.2	Very high	93.5	Very high	102 Å²	102	64.1 Å²	64.1	55%	0.545	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.1	166.6	-57.3	-53.2	0	0	0	107.6	M402 R403	N388-M402 CarbonylContact C-O 3.5Å; N388-M402 VanDerWaalsContact CA-O 3.32Å; N388-M402 WeakPolarHBondContact CA-O 3.39Å; N388-R403 WeakPolarHBondContact OD1-CB 3.3Å; N388-R403 VanDerWaalsContact OD1-CG 3.25Å; N388-R403 WeakPolarHBondContact OD1-CG 3.33Å; N388-R403 PolarHBondContact OD1-NE 2.8Å
389	F	98.3	Very high	94.1	Very high	15 Å²	15	63.2 Å²	63.2	7%	0.066	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	169.2	177.6	67.1	-88	0	0	0	110.8	W303 L334 L336 T340 V344 V387 M402 L502	W303-F389 HydrophobicContact CZ3-CZ 4.3Å; L334-F389 HydrophobicContact CD1-CE2 4.06Å; L334-F389 HydrophobicContact CD1-CZ 3.93Å; L336-F389 HydrophobicContact CD2-CD2 4.14Å; L336-F389 HydrophobicContact CD2-CE2 3.78Å; T340-F389 HydrophobicContact CG2-CB 3.8Å; T340-F389 HydrophobicContact CG2-CD2 3.54Å; T340-F389 HydrophobicContact CG2-CE2 4.39Å; T340-F389 HydrophobicContact CG2-CG 3.91Å; V344-F389 HydrophobicContact CG2-CD1 3.97Å; V344-F389 HydrophobicContact CG2-CD2 4.38Å; V344-F389 HydrophobicContact CG2-CE1 3.74Å; V344-F389 HydrophobicContact CG2-CE2 4.19Å; V344-F389 HydrophobicContact CG2-CG 4.27Å; V344-F389 HydrophobicContact CG2-CZ 3.86Å; V387-F389 HydrophobicContact CG1-CD1 4.17Å; F389-M402 HydrophobicContact CD1-CB 4.1Å; F389-M402 HydrophobicContact CD2-CB 4.16Å; F389-M402 HydrophobicContact CE1-CB 3.66Å; F389-M402 HydrophobicContact CE2-CB 3.72Å; F389-M402 HydrophobicContact CE2-CG 3.9Å; F389-M402 HydrophobicContact CG-CB 4.34Å; F389-M402 HydrophobicContact CZ-CB 3.46Å; F389-M402 VanDerWaalsContact CZ-CB 3.46Å; F389-M402 HydrophobicContact CZ-CG 3.92Å; F389-M402 PolarHBondContact N-O 3.29Å; F389-M402 PolarHBondContact O-N 2.7Å; F389-L502 HydrophobicContact CE1-CD1 4.17Å; F389-L502 HydrophobicContact CZ-CD1 4Å
390	T	98.2	Very high	94.8	Very high	64 Å²	64	60.5 Å²	60.5	39%	0.393	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	153.5	172.3	52	0	0	0	0	109.6	V399 L400	T390-V399 HydrophobicContact CG2-CG1 4.05Å; T390-L400 WeakPolarHBondContact CA-O 3.31Å
391	T	98.3	Very high	95.2	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.018	35%	0.348	C	S	.	.			trans	-64.6	173	167.5	55.5	0	0	0	0	111.3	D196 L334 S335 G393 L400	D196-T391 WeakPolarHBondContact OD1-CB 3.26Å; D196-T391 PolarHBondContact OD1-OG1 3.08Å; L334-T391 HydrophobicContact CB-CG2 4.44Å; L334-T391 HydrophobicContact CD2-CG2 3.84Å; S335-T391 CarbonylContact O-C 3.54Å; S335-T391 WeakPolarHBondContact O-CA 3.41Å; S335-T391 WeakPolarHBondContact O-CB 2.96Å; T391-G393 PolarHBondContact O-N 2.96Å; T391-G393 VanDerWaalsContact O-N 3.12Å; T391-L400 HydrophobicContact CG2-CB 3.77Å; T391-L400 PolarHBondContact N-O 2.82Å; T391-L400 PolarHBondContact OG1-N 2.85Å
392	K	96	Very high	95.8	Very high	58 Å²	58	51.8 Å²	51.8	25%	0.252	31%	0.308	S	S	.	.			trans	-50	-37.7	-172.3	179.8	57.4	-179.6	171.5	0	114.6	Y185 D196 D299 S335 D337 F394	Y185-K392 HydrophobicContact CE1-CD 4.42Å; Y185-K392 HydrophobicContact CE1-CG 4.2Å; Y185-K392 WeakPolarHBondContact OH-CE 3.44Å; D196-K392 PolarHBondContact OD1-N 2.91Å; D299-K392 IonicContact OD2-NZ 3.45Å; D299-K392 PolarHBondContact OD2-NZ 3.06Å; S335-K392 PolarHBondContact O-N 3.06Å; D337-K392 HydrophobicContact CB-CD 4.1Å; K392-F394 HydrophobicContact CB-CE2 4.16Å; K392-F394 HydrophobicContact CB-CZ 4.17Å; K392-F394 HydrophobicContact CG-CD1 4.26Å; K392-F394 HydrophobicContact CG-CE1 3.76Å; K392-F394 HydrophobicContact CG-CE2 4.14Å; K392-F394 HydrophobicContact CG-CZ 3.69Å
393	G	94.8	Very high	96	Very high	29 Å²	29	52.7 Å²	52.7	30%	0.299	30%	0.295	S	S	.	.			trans	76.5	61.2	179.2	0	0	0	0	0	113.9	D196 T391 A395	D196-G393 VanDerWaalsContact OD1-CA 3.31Å; D196-G393 WeakPolarHBondContact OD1-CA 3.1Å; D196-G393 PolarHBondContact OD1-N 2.85Å; T391-G393 PolarHBondContact O-N 2.96Å; T391-G393 VanDerWaalsContact O-N 3.12Å; G393-A395 VanDerWaalsContact C-N 3.3Å
394	F	93.7	Very high	96.2	Very high	84 Å²	84	51.1 Å²	51.1	37%	0.368	28%	0.283	S	S	.	.	S	Bend	trans	-65.6	-38.3	172.3	-60.4	-67.6	0	0	0	111.4	Y185 D194 D196 K392	Y185-F394 AromaticContact CD1-CZ 3.89Å; Y185-F394 HydrophobicContact CD1-CZ 3.89Å; Y185-F394 HydrophobicContact CD2-CE1 4.1Å; Y185-F394 AromaticContact CD2-CZ 3.57Å; Y185-F394 HydrophobicContact CD2-CZ 3.57Å; Y185-F394 HydrophobicContact CE1-CZ 4.05Å; Y185-F394 AromaticContact CE2-CE1 3.92Å; Y185-F394 HydrophobicContact CE2-CE1 3.92Å; Y185-F394 AromaticContact CE2-CZ 3.75Å; Y185-F394 HydrophobicContact CE2-CZ 3.75Å; Y185-F394 HydrophobicContact CG-CE2 4.42Å; Y185-F394 AromaticContact CG-CZ 3.65Å; Y185-F394 HydrophobicContact CG-CZ 3.65Å; Y185-F394 AromaticContact CZ-CZ 3.98Å; D194-F394 HydrophobicContact CB-CD1 4.45Å; D194-F394 HydrophobicContact CB-CD2 4.22Å; D194-F394 HydrophobicContact CB-CE1 4.07Å; D194-F394 HydrophobicContact CB-CE2 3.82Å; D194-F394 HydrophobicContact CB-CZ 3.74Å; D196-F394 PolarHBondContact OD2-N 2.93Å; K392-F394 HydrophobicContact CB-CE2 4.16Å; K392-F394 HydrophobicContact CB-CZ 4.17Å; K392-F394 HydrophobicContact CG-CD1 4.26Å; K392-F394 HydrophobicContact CG-CE1 3.76Å; K392-F394 HydrophobicContact CG-CE2 4.14Å; K392-F394 HydrophobicContact CG-CZ 3.69Å
395	A	92.5	Very high	96.3	Very high	34 Å²	34	48 Å²	48	28%	0.281	27%	0.267	S	S	.	.	S	Bend	trans	-132.4	136.4	169.5	0	0	0	0	0	109.6	G393 S397 D398 V399	G393-A395 VanDerWaalsContact C-N 3.3Å; A395-S397 PolarHBondContact O-N 2.8Å; A395-S397 VanDerWaalsContact O-N 3.11Å; A395-D398 HydrophobicContact CB-CB 4.2Å; A395-D398 WeakPolarHBondContact O-CB 3.47Å; A395-D398 PolarHBondContact O-N 3.29Å; A395-V399 PolarHBondContact O-N 3.29Å
396	N	91.9	Very high	96.3	Very high	155 Å²	155	45.2 Å²	45.2	83%	0.829	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.6	-177.2	-71.4	-24.1	0	0	0	113.7	D398	N396-D398 VanDerWaalsContact C-N 3.26Å; N396-D398 PolarHBondContact O-N 3.04Å
397	S	91.1	Very high	96.2	Very high	104 Å²	104	42 Å²	42	73%	0.727	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-21	176.1	52	0	0	0	0	113.9	A395	A395-S397 PolarHBondContact O-N 2.8Å; A395-S397 VanDerWaalsContact O-N 3.11Å
398	D	93.9	Very high	96.1	Very high	16 Å²	16	42.1 Å²	42.1	9%	0.086	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-12.9	-168.2	-62.7	9.6	0	0	0	111.1	D196 W197 P228 K229 A395 N396 L400	D196-D398 HydrophobicContact CB-CB 4.43Å; D196-D398 WeakPolarHBondContact CB-O 3.33Å; W197-D398 PolarHBondContact NE1-O 2.73Å; W197-D398 VanDerWaalsContact NE1-O 3.14Å; P228-D398 HydrophobicContact CB-CB 3.57Å; P228-D398 VanDerWaalsContact CB-CG 3.41Å; P228-D398 HydrophobicContact CG-CB 3.8Å; K229-D398 IonicContact NZ-OD1 3.32Å; K229-D398 IonicContact NZ-OD2 2.79Å; K229-D398 PolarHBondContact NZ-OD2 3.38Å; A395-D398 HydrophobicContact CB-CB 4.2Å; A395-D398 WeakPolarHBondContact O-CB 3.47Å; A395-D398 PolarHBondContact O-N 3.29Å; N396-D398 VanDerWaalsContact C-N 3.26Å; N396-D398 PolarHBondContact O-N 3.04Å; D398-L400 PolarHBondContact O-N 2.61Å
399	V	96.8	Very high	95.6	Very high	43 Å²	43	38.3 Å²	38.3	26%	0.261	22%	0.224	S	C	.	.			trans	-57.4	129.4	179.4	-174.8	0	0	0	0	110.9	T390 A395	T390-V399 HydrophobicContact CG2-CG1 4.05Å; A395-V399 PolarHBondContact O-N 3.29Å
400	L	97	Very high	95.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.251	C	S	.	.			trans	-106.1	118.1	174.1	-163.9	69.6	0	0	0	111	W197 F332 L334 T390 T391 D398 M402 S504 N506 L509	W197-L400 HydrophobicContact CB-CD2 4.3Å; W197-L400 HydrophobicContact CD2-CD2 3.96Å; W197-L400 HydrophobicContact CG-CB 4.14Å; W197-L400 HydrophobicContact CG-CD2 3.83Å; W197-L400 HydrophobicContact CG-CG 4.5Å; W197-L400 HydrophobicContact CZ2-CD1 4.36Å; F332-L400 HydrophobicContact CE2-CD2 4.1Å; F332-L400 HydrophobicContact CZ-CD2 3.61Å; L334-L400 HydrophobicContact CD2-CD2 4.05Å; T390-L400 WeakPolarHBondContact CA-O 3.31Å; T391-L400 HydrophobicContact CG2-CB 3.77Å; T391-L400 PolarHBondContact N-O 2.82Å; T391-L400 PolarHBondContact OG1-N 2.85Å; D398-L400 PolarHBondContact O-N 2.61Å; L400-M402 HydrophobicContact CB-SD 4.4Å; L400-M402 HydrophobicContact CD1-SD 4.39Å; L400-M402 HydrophobicContact CD2-CE 4.29Å; L400-M402 HydrophobicContact CD2-CG 4.2Å; L400-M402 HydrophobicContact CD2-SD 3.26Å; L400-M402 WeakPolarHBondContact CD2-SD 3.4Å; L400-M402 HydrophobicContact CG-CG 4.22Å; L400-M402 HydrophobicContact CG-SD 3.39Å; L400-M402 WeakPolarHBondContact CG-SD 3.49Å; L400-S504 WeakPolarHBondContact CD1-OG 3.33Å; L400-N506 HydrophobicContact CD1-CB 3.36Å; L400-L509 HydrophobicContact CD1-CD1 3.9Å; L400-L509 HydrophobicContact CD2-CD1 4.08Å
401	T	97.9	Very high	95	Very high	79 Å²	79	46.4 Å²	46.4	49%	0.485	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	122.4	170.6	-57.2	0	0	0	0	109.6	S504	T401-S504 PolarHBondContact O-OG 2.89Å
402	M	98.1	Very high	94.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146	-176	-60.6	-49.3	-71	0	0	111.3	F332 N388 F389 L400 L502 C503 S504	F332-M402 HydrophobicContact CE1-CE 3.7Å; F332-M402 HydrophobicContact CZ-CE 3.96Å; F332-M402 HydrophobicContact CZ-SD 4.5Å; N388-M402 CarbonylContact C-O 3.5Å; N388-M402 VanDerWaalsContact CA-O 3.32Å; N388-M402 WeakPolarHBondContact CA-O 3.39Å; F389-M402 HydrophobicContact CD1-CB 4.1Å; F389-M402 HydrophobicContact CD2-CB 4.16Å; F389-M402 HydrophobicContact CE1-CB 3.66Å; F389-M402 HydrophobicContact CE2-CB 3.72Å; F389-M402 HydrophobicContact CE2-CG 3.9Å; F389-M402 HydrophobicContact CG-CB 4.34Å; F389-M402 HydrophobicContact CZ-CB 3.46Å; F389-M402 VanDerWaalsContact CZ-CB 3.46Å; F389-M402 HydrophobicContact CZ-CG 3.92Å; F389-M402 PolarHBondContact N-O 3.29Å; F389-M402 PolarHBondContact O-N 2.7Å; L400-M402 HydrophobicContact CB-SD 4.4Å; L400-M402 HydrophobicContact CD1-SD 4.39Å; L400-M402 HydrophobicContact CD2-CE 4.29Å; L400-M402 HydrophobicContact CD2-CG 4.2Å; L400-M402 HydrophobicContact CD2-SD 3.26Å; L400-M402 WeakPolarHBondContact CD2-SD 3.4Å; L400-M402 HydrophobicContact CG-CG 4.22Å; L400-M402 HydrophobicContact CG-SD 3.39Å; L400-M402 WeakPolarHBondContact CG-SD 3.49Å; M402-L502 HydrophobicContact CB-CD1 4.02Å; M402-L502 HydrophobicContact CE-CD1 3.5Å; M402-L502 HydrophobicContact CE-CD2 3.99Å; M402-L502 HydrophobicContact CE-CG 3.34Å; M402-L502 HydrophobicContact CG-CD1 4.38Å; M402-C503 CarbonylContact C-O 3.58Å; M402-C503 WeakPolarHBondContact CA-O 3.28Å; M402-S504 VanDerWaalsContact SD-CB 3.54Å
403	R	98	Very high	94.7	Very high	75 Å²	75	49.8 Å²	49.8	28%	0.283	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	113.3	164.6	-177.9	178.5	-63.8	174.6	1.9	108.8	I386 V387 N388 I405 T422 C503	I386-R403 HydrophobicContact CG2-CG 3.63Å; V387-R403 CarbonylContact O-C 3.56Å; V387-R403 WeakPolarHBondContact O-CA 3.13Å; N388-R403 WeakPolarHBondContact OD1-CB 3.3Å; N388-R403 VanDerWaalsContact OD1-CG 3.25Å; N388-R403 WeakPolarHBondContact OD1-CG 3.33Å; N388-R403 PolarHBondContact OD1-NE 2.8Å; R403-I405 HydrophobicContact CG-CG1 4.04Å; R403-T422 PolarHBondContact NH1-O 2.92Å; R403-C503 PolarHBondContact N-O 2.81Å; R403-C503 PolarHBondContact O-N 3.26Å
404	Y	98.2	Very high	94.7	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	111.2	175.4	-175.8	-148.7	0	0	0	109.9	W303 V344 A347 L348 E351 I386 V387 T406 S500 L502	W303-Y404 HydrophobicContact CH2-CD1 4.03Å; W303-Y404 HydrophobicContact CH2-CD2 4.15Å; W303-Y404 AromaticContact CH2-CE1 3.71Å; W303-Y404 HydrophobicContact CH2-CE1 3.71Å; W303-Y404 AromaticContact CH2-CE2 3.83Å; W303-Y404 HydrophobicContact CH2-CE2 3.83Å; W303-Y404 HydrophobicContact CH2-CG 4.26Å; W303-Y404 AromaticContact CH2-CZ 3.63Å; W303-Y404 HydrophobicContact CZ2-CE1 4.37Å; W303-Y404 HydrophobicContact CZ2-CE2 4.5Å; W303-Y404 HydrophobicContact CZ3-CD1 4.41Å; W303-Y404 HydrophobicContact CZ3-CE1 4.45Å; V344-Y404 HydrophobicContact CG1-CE1 4.46Å; A347-Y404 HydrophobicContact CB-CD1 3.54Å; A347-Y404 HydrophobicContact CB-CE1 3.68Å; L348-Y404 HydrophobicContact CB-CE1 4.43Å; L348-Y404 WeakPolarHBondContact CD1-OH 3.35Å; E351-Y404 VanDerWaalsContact CD-OH 3.28Å; E351-Y404 PolarHBondContact OE2-OH 2.82Å; I386-Y404 WeakPolarHBondContact CA-O 3.24Å; V387-Y404 PolarHBondContact N-O 3.19Å; V387-Y404 PolarHBondContact O-N 3.29Å; Y404-T406 HydrophobicContact CD1-CG2 3.84Å; Y404-T406 HydrophobicContact CD2-CG2 3.82Å; Y404-T406 HydrophobicContact CE1-CG2 3.44Å; Y404-T406 VanDerWaalsContact CE1-CG2 3.44Å; Y404-T406 HydrophobicContact CE2-CG2 3.42Å; Y404-T406 VanDerWaalsContact CE2-CG2 3.42Å; Y404-T406 HydrophobicContact CG-CG2 4Å; Y404-S500 VanDerWaalsContact CE2-CB 3.45Å; Y404-L502 HydrophobicContact CD2-CB 4.4Å; Y404-L502 HydrophobicContact CD2-CD1 4.4Å; Y404-L502 HydrophobicContact CG-CD1 4.49Å
405	I	97.7	Very high	94.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.3	179.3	-57.9	170	0	0	0	106.8	I386 R403 L414 L418 I419 T422 S500 A501	I386-I405 HydrophobicContact CG1-CG1 4.37Å; I386-I405 HydrophobicContact CG1-CG2 4.31Å; I386-I405 HydrophobicContact CG2-CG1 4.31Å; R403-I405 HydrophobicContact CG-CG1 4.04Å; I405-L414 HydrophobicContact CG2-CD1 4.24Å; I405-L418 HydrophobicContact CG2-CB 4.28Å; I405-L418 HydrophobicContact CG2-CD1 4.21Å; I405-I419 HydrophobicContact CD1-CG1 4.49Å; I405-T422 WeakPolarHBondContact CD1-OG1 3.28Å; I405-S500 CarbonylContact O-C 3.56Å; I405-S500 WeakPolarHBondContact O-CA 3.4Å; I405-S500 VanDerWaalsContact O-CB 3.27Å; I405-S500 WeakPolarHBondContact O-CB 3.31Å; I405-A501 PolarHBondContact N-O 3.4Å; I405-A501 PolarHBondContact O-N 3.44Å
406	T	96.9	Very high	94.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.3	-179.6	58.8	0	0	0	0	110.4	A347 I384 K385 Y404	A347-T406 HydrophobicContact CB-CG2 3.94Å; A347-T406 WeakPolarHBondContact O-CG2 3.37Å; A347-T406 PolarHBondContact O-OG1 2.86Å; I384-T406 VanDerWaalsContact CA-O 3.31Å; I384-T406 WeakPolarHBondContact CA-O 3.32Å; I384-T406 WeakPolarHBondContact CG2-O 3.42Å; K385-T406 WeakPolarHBondContact CB-OG1 3.37Å; K385-T406 PolarHBondContact N-O 2.89Å; K385-T406 PolarHBondContact O-N 2.85Å; K385-T406 PolarHBondContact O-OG1 2.84Å; Y404-T406 HydrophobicContact CD1-CG2 3.84Å; Y404-T406 HydrophobicContact CD2-CG2 3.82Å; Y404-T406 HydrophobicContact CE1-CG2 3.44Å; Y404-T406 VanDerWaalsContact CE1-CG2 3.44Å; Y404-T406 HydrophobicContact CE2-CG2 3.42Å; Y404-T406 VanDerWaalsContact CE2-CG2 3.42Å; Y404-T406 HydrophobicContact CG-CG2 4Å
407	K	95.7	Very high	94.5	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	149.5	177.7	58.1	141.5	-166.7	153.3	0	112.2	Y350 S383 I384 I412 L418 E494 S497 P498 G499	Y350-K407 CarbonylContact O-C 3.59Å; S383-K407 WeakPolarHBondContact O-CA 3.25Å; I384-K407 HydrophobicContact CG1-CB 4.42Å; K407-I412 HydrophobicContact CB-CG2 4.35Å; K407-I412 HydrophobicContact CD-CB 3.96Å; K407-I412 HydrophobicContact CD-CG2 4.03Å; K407-I412 WeakPolarHBondContact CD-O 3.17Å; K407-I412 WeakPolarHBondContact CE-O 3.23Å; K407-I412 PolarHBondContact NZ-O 2.84Å; K407-L418 HydrophobicContact CB-CD1 3.89Å; K407-L418 HydrophobicContact CD-CD1 4.3Å; K407-L418 HydrophobicContact CG-CD1 4.1Å; K407-E494 WeakPolarHBondContact CE-OE1 3.37Å; K407-E494 PolarHBondContact NZ-O 2.8Å; K407-E494 IonicContact NZ-OE1 2.74Å; K407-E494 PolarHBondContact NZ-OE1 2.78Å; K407-S497 WeakPolarHBondContact CE-O 3.39Å; K407-S497 PolarHBondContact NZ-O 3.13Å; K407-P498 WeakPolarHBondContact O-CA 3.44Å; K407-G499 VanDerWaalsContact CG-O 3.27Å; K407-G499 WeakPolarHBondContact CG-O 3.38Å; K407-G499 PolarHBondContact N-O 2.84Å; K407-G499 PolarHBondContact O-N 3.07Å; K407-G499 VanDerWaalsContact O-N 3.08Å
408	T	94.1	Very high	94.7	Very high	20 Å²	20	35.1 Å²	35.1	12%	0.123	18%	0.18	C	C	.	.			trans	-78.5	164.2	167.7	64	0	0	0	0	110.8	Y350 S383 K410	Y350-T408 HydrophobicContact CD1-CG2 4.16Å; Y350-T408 WeakPolarHBondContact O-CA 3.47Å; Y350-T408 WeakPolarHBondContact O-CG2 3.02Å; Y350-T408 PolarHBondContact O-N 3.08Å; S383-T408 WeakPolarHBondContact CA-OG1 3.2Å; S383-T408 VanDerWaalsContact CB-OG1 3.31Å; S383-T408 WeakPolarHBondContact CB-OG1 3.39Å; S383-T408 PolarHBondContact O-N 2.89Å; S383-T408 PolarHBondContact O-OG1 3.16Å; T408-K410 PolarHBondContact O-N 2.88Å
409	G	89.2	Confident	94.8	Very high	21 Å²	21	34.4 Å²	34.4	22%	0.216	18%	0.176	C	C	.	.	S	Bend	trans	-73	29.3	176.2	0	0	0	0	0	115.9	N411 Q496	G409-N411 VanDerWaalsContact C-N 3.34Å; G409-N411 PolarHBondContact O-N 3.12Å; G409-Q496 VanDerWaalsContact CA-O 3.26Å; G409-Q496 WeakPolarHBondContact CA-O 3.48Å; G409-Q496 CarbonylContact O-C 3.55Å; G409-Q496 WeakPolarHBondContact O-CA 3.1Å; G409-Q496 VanDerWaalsContact O-O 3.13Å
410	K	90.8	Very high	94.6	Very high	146 Å²	146	32.5 Å²	32.5	64%	0.635	17%	0.165	S	C	*	.	S	Bend	trans	-93.2	52.8	-175.1	-68.5	-179	176.8	176.4	0	112.8	S383 T408	S383-K410 WeakPolarHBondContact OG-CD 3.18Å; T408-K410 PolarHBondContact O-N 2.88Å
411	N	92.9	Very high	94.4	Very high	103 Å²	103	37.1 Å²	37.1	55%	0.551	19%	0.189	S	C	*	.	S	Bend	trans	58.2	45.3	178.4	-165	33.5	0	0	0	114.6	G409 P495 Q496	G409-N411 VanDerWaalsContact C-N 3.34Å; G409-N411 PolarHBondContact O-N 3.12Å; N411-P495 CarbonylContact C-O 3.43Å; N411-P495 WeakPolarHBondContact CA-O 3.3Å; N411-P495 PolarHBondContact N-O 2.89Å; N411-Q496 PolarHBondContact OD1-NE2 3.15Å; N411-Q496 VanDerWaalsContact OD1-NE2 3.1Å
412	I	93.6	Very high	94.2	Very high	26 Å²	26	35 Å²	35	13%	0.133	18%	0.175	C	C	.	.			trans	-114.4	123.2	-179.3	-62.6	158.5	0	0	0	109.5	I384 K407 L418 P495	I384-I412 HydrophobicContact CD1-CD1 4.19Å; I384-I412 HydrophobicContact CD1-CG2 4.26Å; I384-I412 HydrophobicContact CG1-CD1 3.84Å; I384-I412 HydrophobicContact CG1-CG2 4.37Å; K407-I412 HydrophobicContact CB-CG2 4.35Å; K407-I412 HydrophobicContact CD-CB 3.96Å; K407-I412 HydrophobicContact CD-CG2 4.03Å; K407-I412 WeakPolarHBondContact CD-O 3.17Å; K407-I412 WeakPolarHBondContact CE-O 3.23Å; K407-I412 PolarHBondContact NZ-O 2.84Å; I412-L418 HydrophobicContact CG2-CD1 3.49Å; I412-L418 VanDerWaalsContact CG2-CD1 3.49Å; I412-L418 HydrophobicContact CG2-CD2 3.9Å; I412-L418 HydrophobicContact CG2-CG 3.65Å; I412-P495 PolarHBondContact N-O 2.85Å; I412-P495 WeakPolarHBondContact O-CA 3.04Å
413	R	93.9	Very high	94	Very high	107 Å²	107	36.1 Å²	36.1	40%	0.404	18%	0.181	S	C	.	.			trans	-82.8	121	180	-52.2	-161	165.5	-131.2	-5.1	111.2	D416 S417 L418 E494 P495	R413-D416 HydrophobicContact CB-CB 4.12Å; R413-D416 IonicContact CZ-OD2 3.76Å; R413-D416 IonicContact NH1-OD2 2.73Å; R413-D416 PolarHBondContact NH1-OD2 3.04Å; R413-S417 WeakPolarHBondContact O-CB 3.27Å; R413-L418 PolarHBondContact O-N 3.42Å; R413-L418 VanDerWaalsContact O-N 3.08Å; R413-E494 WeakPolarHBondContact CA-OE2 3.43Å; R413-P495 HydrophobicContact CG-CB 4.15Å; R413-P495 HydrophobicContact CG-CG 3.8Å
414	L	94.6	Very high	93.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.197	C	C	.	.	I	π-helix	trans	-71.9	-58.5	178	-175.3	66.3	0	0	0	111.6	I405 L418 I419 E494 S500 A501	I405-L414 HydrophobicContact CG2-CD1 4.24Å; L414-L418 HydrophobicContact CD1-CB 4.32Å; L414-L418 HydrophobicContact CD1-CD1 4.18Å; L414-L418 PolarHBondContact O-N 3.43Å; L414-I419 HydrophobicContact CD1-CD1 4.27Å; L414-I419 HydrophobicContact CD1-CG1 4Å; L414-I419 HydrophobicContact CD2-CD1 4.42Å; L414-I419 HydrophobicContact CG-CD1 3.87Å; L414-I419 HydrophobicContact CG-CG1 4.07Å; L414-I419 PolarHBondContact O-N 3.18Å; L414-E494 WeakPolarHBondContact CB-OE1 3.33Å; L414-E494 PolarHBondContact N-OE1 3.07Å; L414-E494 VanDerWaalsContact N-OE1 3.13Å; L414-E494 PolarHBondContact N-OE2 2.04Å; L414-E494 VanDerWaalsContact N-OE2 3.15Å; L414-S500 VanDerWaalsContact CD2-O 3.28Å; L414-S500 WeakPolarHBondContact CD2-O 3.46Å; L414-A501 HydrophobicContact CD1-CB 4.21Å; L414-A501 HydrophobicContact CD2-CB 4.25Å
415	F	91.9	Very high	93.6	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	20%	0.198	C	C	.	.	I	π-helix	trans	-75.6	-41.7	-174.5	-70.3	-88.8	0	0	0	113.6	S417 I419 P420 A429 T431 V445 A473 T486 S488 R490	F415-S417 VanDerWaalsContact C-N 3.28Å; F415-S417 PolarHBondContact O-N 3.14Å; F415-I419 HydrophobicContact CD1-CD1 4.31Å; F415-P420 WeakPolarHBondContact O-CD 3.25Å; F415-P420 WeakPolarHBondContact O-CG 3.37Å; F415-A429 HydrophobicContact CD1-CB 4.07Å; F415-A429 HydrophobicContact CE1-CB 4.1Å; F415-T431 HydrophobicContact CE1-CG2 3.92Å; F415-T431 HydrophobicContact CE2-CG2 4.07Å; F415-T431 HydrophobicContact CZ-CG2 3.43Å; F415-T431 VanDerWaalsContact CZ-CG2 3.43Å; F415-V445 WeakPolarHBondContact O-CG2 3.47Å; F415-A473 HydrophobicContact CE1-CB 4.19Å; F415-T486 HydrophobicContact CE1-CG2 4.18Å; F415-T486 HydrophobicContact CE2-CG2 4.42Å; F415-T486 HydrophobicContact CZ-CG2 3.54Å; F415-S488 VanDerWaalsContact CE2-O 3.32Å; F415-S488 WeakPolarHBondContact CE2-O 3.42Å; F415-S488 WeakPolarHBondContact CZ-O 3.17Å; F415-R490 HydrophobicContact CB-CG 3.81Å; F415-R490 HydrophobicContact CD1-CG 3.94Å; F415-R490 HydrophobicContact CD2-CG 3.39Å; F415-R490 HydrophobicContact CE1-CG 4.3Å; F415-R490 HydrophobicContact CE2-CG 3.8Å; F415-R490 HydrophobicContact CG-CG 3.44Å; F415-R490 VanDerWaalsContact CG-CG 3.44Å; F415-R490 HydrophobicContact CZ-CG 4.22Å
416	D	90.4	Very high	93.5	Very high	37 Å²	37	40.6 Å²	40.6	20%	0.198	21%	0.206	C	C	.	.	I	π-helix	trans	-83.2	-7.1	-172.7	-56.7	-9.9	0	0	0	112.7	R413 V438 R490	R413-D416 HydrophobicContact CB-CB 4.12Å; R413-D416 IonicContact CZ-OD2 3.76Å; R413-D416 IonicContact NH1-OD2 2.73Å; R413-D416 PolarHBondContact NH1-OD2 3.04Å; D416-V438 HydrophobicContact CB-CG2 3.99Å; D416-V438 WeakPolarHBondContact OD1-CG2 3.39Å; D416-R490 IonicContact OD1-CZ 3.68Å; D416-R490 IonicContact OD1-NE 3.93Å; D416-R490 PolarHBondContact OD1-NE 3.49Å; D416-R490 IonicContact OD1-NH2 2.7Å; D416-R490 PolarHBondContact OD1-NH2 2.9Å
417	S	91.8	Very high	93.4	Very high	44 Å²	44	40.6 Å²	40.6	31%	0.308	21%	0.206	S	C	.	.	I	π-helix	trans	-142.5	-67	-175.3	-177.1	0	0	0	0	112.7	R413 F415 I419 P420 I421	R413-S417 WeakPolarHBondContact O-CB 3.27Å; F415-S417 VanDerWaalsContact C-N 3.28Å; F415-S417 PolarHBondContact O-N 3.14Å; S417-I419 PolarHBondContact O-N 2.66Å; S417-P420 WeakPolarHBondContact O-CD 3.45Å; S417-I421 WeakPolarHBondContact O-CB 3.09Å; S417-I421 WeakPolarHBondContact O-CD1 3.42Å; S417-I421 WeakPolarHBondContact O-CG1 3.34Å; S417-I421 PolarHBondContact O-N 2.85Å; S417-I421 WeakPolarHBondContact OG-CD1 2.98Å
418	L	94.6	Very high	93.3	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.084	21%	0.211	C	C	.	.	I	π-helix	trans	-61.2	-53.1	-169.5	-68.3	-176.4	0	0	0	113.4	I384 I405 K407 I412 R413 L414 T422	I384-L418 HydrophobicContact CD1-CD2 3.56Å; I384-L418 HydrophobicContact CG1-CD1 4.34Å; I384-L418 HydrophobicContact CG1-CD2 4.23Å; I405-L418 HydrophobicContact CG2-CB 4.28Å; I405-L418 HydrophobicContact CG2-CD1 4.21Å; K407-L418 HydrophobicContact CB-CD1 3.89Å; K407-L418 HydrophobicContact CD-CD1 4.3Å; K407-L418 HydrophobicContact CG-CD1 4.1Å; I412-L418 HydrophobicContact CG2-CD1 3.49Å; I412-L418 VanDerWaalsContact CG2-CD1 3.49Å; I412-L418 HydrophobicContact CG2-CD2 3.9Å; I412-L418 HydrophobicContact CG2-CG 3.65Å; R413-L418 PolarHBondContact O-N 3.42Å; R413-L418 VanDerWaalsContact O-N 3.08Å; L414-L418 HydrophobicContact CD1-CB 4.32Å; L414-L418 HydrophobicContact CD1-CD1 4.18Å; L414-L418 PolarHBondContact O-N 3.43Å; L418-T422 VanDerWaalsContact O-CB 3.27Å; L418-T422 WeakPolarHBondContact O-CB 2.96Å; L418-T422 WeakPolarHBondContact O-CG2 3.4Å; L418-T422 PolarHBondContact O-N 2.94Å; L418-T422 PolarHBondContact O-OG1 3.49Å
419	I	95.9	Very high	93.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65	-54.2	-176.9	-53.8	170.7	0	0	0	110.4	I405 L414 F415 S417 I421 T422 Q423 L427 A501	I405-I419 HydrophobicContact CD1-CG1 4.49Å; L414-I419 HydrophobicContact CD1-CD1 4.27Å; L414-I419 HydrophobicContact CD1-CG1 4Å; L414-I419 HydrophobicContact CD2-CD1 4.42Å; L414-I419 HydrophobicContact CG-CD1 3.87Å; L414-I419 HydrophobicContact CG-CG1 4.07Å; L414-I419 PolarHBondContact O-N 3.18Å; F415-I419 HydrophobicContact CD1-CD1 4.31Å; S417-I419 PolarHBondContact O-N 2.66Å; I419-I421 VanDerWaalsContact C-N 3.34Å; I419-I421 PolarHBondContact O-N 3.08Å; I419-T422 PolarHBondContact O-N 3.02Å; I419-T422 PolarHBondContact O-OG1 2.89Å; I419-Q423 HydrophobicContact CG2-CG 3.87Å; I419-Q423 VanDerWaalsContact O-CB 3.27Å; I419-Q423 WeakPolarHBondContact O-CB 3.15Å; I419-Q423 WeakPolarHBondContact O-CG 3.21Å; I419-Q423 PolarHBondContact O-N 3.46Å; I419-L427 HydrophobicContact CB-CD1 3.74Å; I419-L427 HydrophobicContact CG2-CD1 3.5Å; I419-L427 VanDerWaalsContact CG2-CD1 3.5Å; I419-L427 HydrophobicContact CG2-CD2 4.23Å; I419-L427 HydrophobicContact CG2-CG 4.49Å; I419-A501 HydrophobicContact CD1-CB 3.57Å; I419-A501 HydrophobicContact CG1-CB 3.97Å
420	P	94.3	Very high	93.6	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.019	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-39.1	-177.1	-21.1	30.8	0	0	0	113.6	F415 S417 K424 T425 L427 Y443 V445	F415-P420 WeakPolarHBondContact O-CD 3.25Å; F415-P420 WeakPolarHBondContact O-CG 3.37Å; S417-P420 WeakPolarHBondContact O-CD 3.45Å; P420-K424 WeakPolarHBondContact O-CA 3.47Å; P420-K424 PolarHBondContact O-N 2.81Å; P420-T425 WeakPolarHBondContact CA-O 3.13Å; P420-T425 WeakPolarHBondContact CB-O 3.27Å; P420-T425 PolarHBondContact O-N 3.42Å; P420-L427 HydrophobicContact CG-CD1 3.68Å; P420-L427 HydrophobicContact CG-CG 4.17Å; P420-Y443 HydrophobicContact CB-CD2 4.12Å; P420-Y443 HydrophobicContact CB-CG 4.02Å; P420-V445 HydrophobicContact CG-CG2 3.94Å
421	I	92.6	Very high	93.7	Very high	98 Å²	98	32.8 Å²	32.8	50%	0.503	17%	0.165	S	C	.	.	H	α-helix	trans	-69.9	-44	-179.8	-66.3	171.4	0	0	0	110.9	S417 I419 Q423 Y443	S417-I421 WeakPolarHBondContact O-CB 3.09Å; S417-I421 WeakPolarHBondContact O-CD1 3.42Å; S417-I421 WeakPolarHBondContact O-CG1 3.34Å; S417-I421 PolarHBondContact O-N 2.85Å; S417-I421 WeakPolarHBondContact OG-CD1 2.98Å; I419-I421 VanDerWaalsContact C-N 3.34Å; I419-I421 PolarHBondContact O-N 3.08Å; I421-Q423 VanDerWaalsContact C-N 3.35Å; I421-Y443 HydrophobicContact CG1-CD2 4.42Å
422	T	93.1	Very high	93.4	Very high	34 Å²	34	30.2 Å²	30.2	21%	0.209	15%	0.149	C	C	.	.	H	α-helix	trans	-73.3	-29	-178.2	58.8	0	0	0	0	112.7	I386 R403 I405 L418 I419	I386-T422 HydrophobicContact CD1-CG2 3.61Å; R403-T422 PolarHBondContact NH1-O 2.92Å; I405-T422 WeakPolarHBondContact CD1-OG1 3.28Å; L418-T422 VanDerWaalsContact O-CB 3.27Å; L418-T422 WeakPolarHBondContact O-CB 2.96Å; L418-T422 WeakPolarHBondContact O-CG2 3.4Å; L418-T422 PolarHBondContact O-N 2.94Å; L418-T422 PolarHBondContact O-OG1 3.49Å; I419-T422 PolarHBondContact O-N 3.02Å; I419-T422 PolarHBondContact O-OG1 2.89Å
423	Q	93.1	Very high	92.3	Very high	25 Å²	25	31.9 Å²	31.9	12%	0.117	16%	0.158	C	C	.	.	H	α-helix	trans	-95.9	-10.8	178.6	-54.7	-57.6	-15.2	0	0	113.4	I419 I421 T425 I482	I419-Q423 HydrophobicContact CG2-CG 3.87Å; I419-Q423 VanDerWaalsContact O-CB 3.27Å; I419-Q423 WeakPolarHBondContact O-CB 3.15Å; I419-Q423 WeakPolarHBondContact O-CG 3.21Å; I419-Q423 PolarHBondContact O-N 3.46Å; I421-Q423 VanDerWaalsContact C-N 3.35Å; Q423-T425 VanDerWaalsContact C-N 3.28Å; Q423-T425 HydrophobicContact CB-CG2 4.1Å; Q423-T425 PolarHBondContact O-N 3.17Å; Q423-I482 HydrophobicContact CB-CG1 4.38Å; Q423-I482 HydrophobicContact CB-CG2 4.48Å; Q423-I482 HydrophobicContact CG-CD1 4.35Å; Q423-I482 HydrophobicContact CG-CG1 3.95Å
424	K	93.3	Very high	91.3	Very high	143 Å²	143	34.1 Å²	34.1	62%	0.622	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	39.6	179.8	-55.9	-179	-179	178.7	0	113.6	P420 Y443 L480	P420-K424 WeakPolarHBondContact O-CA 3.47Å; P420-K424 PolarHBondContact O-N 2.81Å; K424-Y443 VanDerWaalsContact CA-CZ 3.44Å; K424-Y443 WeakPolarHBondContact CA-OH 3.46Å; K424-Y443 HydrophobicContact CB-CE1 4.33Å; K424-Y443 WeakPolarHBondContact CB-OH 3.46Å; K424-Y443 WeakPolarHBondContact O-CE1 3.14Å; K424-L480 VanDerWaalsContact O-CD1 3.26Å; K424-L480 WeakPolarHBondContact O-CD1 3.48Å
425	T	95.1	Very high	90.9	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.031	18%	0.179	C	C	.	.	S	Bend	trans	-148.5	151.8	-179	-167.4	0	0	0	0	111.3	P420 Q423 L427 I482	P420-T425 WeakPolarHBondContact CA-O 3.13Å; P420-T425 WeakPolarHBondContact CB-O 3.27Å; P420-T425 PolarHBondContact O-N 3.42Å; Q423-T425 VanDerWaalsContact C-N 3.28Å; Q423-T425 HydrophobicContact CB-CG2 4.1Å; Q423-T425 PolarHBondContact O-N 3.17Å; T425-L427 HydrophobicContact CG2-CD2 4.07Å; T425-I482 HydrophobicContact CG2-CG2 3.58Å
426	S	95.2	Very high	90.7	Very high	23 Å²	23	44.6 Å²	44.6	16%	0.161	22%	0.217	C	C	.	.			trans	-70.3	151.2	168	-59.6	0	0	0	0	110.3	K444 G475 E476	S426-K444 CarbonylContact C-O 3.51Å; S426-K444 WeakPolarHBondContact CA-O 3.25Å; S426-K444 VanDerWaalsContact CB-O 3.31Å; S426-K444 WeakPolarHBondContact CB-O 2.92Å; S426-K444 PolarHBondContact OG-N 3.17Å; S426-G475 WeakPolarHBondContact O-CA 3.42Å; S426-E476 WeakPolarHBondContact CB-OE2 3.26Å; S426-E476 PolarHBondContact O-N 2.9Å
427	L	94.7	Very high	90.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.2	-172.8	-58.9	176.7	0	0	0	112.1	I419 P420 T425 K444 V445 F446 V474 I482	I419-L427 HydrophobicContact CB-CD1 3.74Å; I419-L427 HydrophobicContact CG2-CD1 3.5Å; I419-L427 VanDerWaalsContact CG2-CD1 3.5Å; I419-L427 HydrophobicContact CG2-CD2 4.23Å; I419-L427 HydrophobicContact CG2-CG 4.49Å; P420-L427 HydrophobicContact CG-CD1 3.68Å; P420-L427 HydrophobicContact CG-CG 4.17Å; T425-L427 HydrophobicContact CG2-CD2 4.07Å; L427-K444 PolarHBondContact N-O 3.09Å; L427-V445 CarbonylContact O-C 3.43Å; L427-V445 WeakPolarHBondContact O-CA 3.44Å; L427-F446 PolarHBondContact O-N 3.18Å; L427-V474 CarbonylContact C-O 3.57Å; L427-V474 VanDerWaalsContact CA-O 3.31Å; L427-V474 WeakPolarHBondContact CA-O 3.27Å; L427-I482 HydrophobicContact CD2-CG2 4.35Å
428	M	94.2	Very high	90.5	Very high	23 Å²	23	43.4 Å²	43.4	11%	0.113	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.5	157.7	-64.9	-176.3	-81.2	0	0	108.1	F446 I448 A473 V474 E476 A517	M428-F446 CarbonylContact C-O 3.42Å; M428-F446 WeakPolarHBondContact CA-O 3.34Å; M428-F446 HydrophobicContact CG-CB 4.26Å; M428-I448 HydrophobicContact CB-CD1 3.97Å; M428-I448 HydrophobicContact CB-CG1 3.89Å; M428-A473 CarbonylContact O-C 3.58Å; M428-A473 VanDerWaalsContact O-CA 3.22Å; M428-A473 WeakPolarHBondContact O-CA 3.18Å; M428-V474 HydrophobicContact CB-CG2 3.96Å; M428-V474 HydrophobicContact CE-CG2 4.06Å; M428-V474 PolarHBondContact N-O 2.77Å; M428-V474 PolarHBondContact O-N 3.08Å; M428-E476 HydrophobicContact CE-CG 4.14Å; M428-E476 HydrophobicContact CG-CG 3.78Å; M428-E476 HydrophobicContact SD-CG 4.36Å; M428-A517 HydrophobicContact CE-CB 4.11Å; M428-A517 HydrophobicContact SD-CB 4.25Å
429	A	94.8	Very high	90.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.5	-175.2	0	0	0	0	0	111.4	F415 V445 F446 I448 A473	F415-A429 HydrophobicContact CD1-CB 4.07Å; F415-A429 HydrophobicContact CE1-CB 4.1Å; A429-V445 HydrophobicContact CB-CG1 4.4Å; A429-F446 PolarHBondContact N-O 2.82Å; A429-I448 PolarHBondContact O-N 2.89Å; A429-A473 HydrophobicContact CB-CB 4.42Å
430	W	94.8	Very high	89.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	96.3	170.2	-173.8	-111.8	0	0	0	108.5	I448 M452 V463 R465 D468 R471 W472	W430-I448 HydrophobicContact CB-CD1 4.22Å; W430-I448 HydrophobicContact CE3-CB 3.74Å; W430-I448 HydrophobicContact CE3-CG2 3.43Å; W430-I448 VanDerWaalsContact CE3-CG2 3.43Å; W430-I448 HydrophobicContact CZ3-CB 4.32Å; W430-I448 HydrophobicContact CZ3-CG2 3.63Å; W430-M452 HydrophobicContact CD2-CE 4.06Å; W430-M452 HydrophobicContact CD2-SD 3.82Å; W430-M452 HydrophobicContact CE3-SD 4.07Å; W430-M452 HydrophobicContact CG-SD 4.39Å; W430-M452 HydrophobicContact CH2-CB 3.92Å; W430-M452 HydrophobicContact CH2-CE 3.87Å; W430-M452 HydrophobicContact CH2-SD 4.11Å; W430-M452 HydrophobicContact CZ2-CB 4.46Å; W430-M452 HydrophobicContact CZ2-CE 3.21Å; W430-M452 HydrophobicContact CZ2-SD 3.88Å; W430-M452 HydrophobicContact CZ3-CB 4.12Å; W430-M452 HydrophobicContact CZ3-SD 4.21Å; W430-V463 HydrophobicContact CZ2-CG1 4.18Å; W430-R465 VanDerWaalsContact CE2-CD 3.49Å; W430-R465 HydrophobicContact CH2-CB 3.6Å; W430-R465 HydrophobicContact CH2-CG 4.21Å; W430-R465 HydrophobicContact CZ2-CB 3.92Å; W430-R465 HydrophobicContact CZ2-CG 4.35Å; W430-R465 HydrophobicContact CZ3-CB 4.14Å; W430-R465 HydrophobicContact CZ3-CG 4.41Å; W430-D468 PolarHBondContact NE1-OD2 3.44Å; W430-R471 VanDerWaalsContact O-CA 3.27Å; W430-R471 WeakPolarHBondContact O-CA 3.05Å; W430-W472 HydrophobicContact CB-CD2 3.72Å; W430-W472 VanDerWaalsContact CB-CE2 3.45Å; W430-W472 HydrophobicContact CB-CE3 4.22Å; W430-W472 HydrophobicContact CB-CG 4.17Å; W430-W472 HydrophobicContact CB-CH2 4.25Å; W430-W472 HydrophobicContact CB-CZ2 3.76Å; W430-W472 HydrophobicContact CB-CZ3 4.45Å; W430-W472 AromaticContact CD1-CD1 3.68Å; W430-W472 AromaticContact CD1-CE2 3.73Å; W430-W472 AromaticContact CD1-NE1 3.12Å; W430-W472 HydrophobicContact CG-CD2 4.4Å; W430-W472 AromaticContact CG-CE2 3.69Å; W430-W472 AromaticContact CG-CZ2 3.93Å; W430-W472 HydrophobicContact CG-CZ2 3.93Å; W430-W472 AromaticContact CG-NE1 3.57Å; W430-W472 PolarHBondContact N-O 3.3Å; W430-W472 AromaticContact NE1-NE1 3.88Å; W430-W472 PolarHBondContact O-N 3.06Å; W430-W472 VanDerWaalsContact O-N 3.12Å
431	T	92.6	Very high	89.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-142.3	164.3	-179.5	62.7	0	0	0	0	110.4	F415 N433 R465 R471 D489 R490	F415-T431 HydrophobicContact CE1-CG2 3.92Å; F415-T431 HydrophobicContact CE2-CG2 4.07Å; F415-T431 HydrophobicContact CZ-CG2 3.43Å; F415-T431 VanDerWaalsContact CZ-CG2 3.43Å; T431-N433 PolarHBondContact O-N 3.35Å; T431-N433 PolarHBondContact O-OD1 2.89Å; T431-R465 VanDerWaalsContact C-NE 3.29Å; T431-R465 PolarHBondContact O-NE 2.98Å; T431-R465 VanDerWaalsContact O-NE 3.16Å; T431-R471 HydrophobicContact CG2-CB 4.23Å; T431-R471 HydrophobicContact CG2-CG 4.13Å; T431-D489 WeakPolarHBondContact CB-OD1 3.3Å; T431-R490 HydrophobicContact CG2-CG 4.09Å
432	K	86.4	Confident	89.4	Confident	50 Å²	50	56.3 Å²	56.3	22%	0.217	29%	0.291	C	S	.	.			trans	-72.1	100	172.8	-66.2	-166.4	168.5	179.9	0	108.7	K434 D468 D469 D489	K432-K434 PolarHBondContact O-N 3.3Å; K432-D468 VanDerWaalsContact CE-O 3.25Å; K432-D468 WeakPolarHBondContact CE-O 3.48Å; K432-D469 IonicContact NZ-OD1 3.42Å; K432-D469 PolarHBondContact NZ-OD1 2.98Å; K432-D489 PolarHBondContact N-OD1 2.71Å
433	N	71.8	Confident	89.4	Confident	61 Å²	61	57.7 Å²	57.7	33%	0.326	29%	0.293	S	S	.	.			trans	-60.6	127.3	-165.8	-72.3	-30.7	0	0	0	113.4	T431 N447	T431-N433 PolarHBondContact O-N 3.35Å; T431-N433 PolarHBondContact O-OD1 2.89Å; N433-N447 VanDerWaalsContact OD1-CG 3.31Å; N433-N447 PolarHBondContact OD1-OD1 2.86Å; N433-N447 VanDerWaalsContact OD1-OD1 3.14Å
434	K	72.2	Confident	89.4	Confident	153 Å²	153	60.4 Å²	60.4	67%	0.665	30%	0.304	S	S	*	.			trans	-132.2	-11.3	163.1	-62.4	-171.5	-173.9	176.7	0	114.1	K432 R490 T491	K432-K434 PolarHBondContact O-N 3.3Å; K434-R490 PolarHBondContact N-O 2.8Å; K434-T491 HydrophobicContact CB-CG2 4.25Å; K434-T491 HydrophobicContact CD-CG2 3.73Å; K434-T491 HydrophobicContact CG-CG2 4.09Å
435	L	85.2	Confident	89.5	Confident	36 Å²	36	53.6 Å²	53.6	19%	0.188	28%	0.275	C	S	.	.	S	Bend	trans	-117	145.5	-177.5	-66.5	179.5	0	0	0	110.9	N447 Q492	L435-N447 PolarHBondContact O-ND2 2.8Å; L435-Q492 HydrophobicContact CD2-CB 4.49Å; L435-Q492 HydrophobicContact CD2-CG 3.53Å
436	K	87.6	Confident	89.4	Confident	185 Å²	185	54.2 Å²	54.2	80%	0.804	28%	0.277	S	S	*	.			trans	-65.1	163.6	170.9	-65.1	-172.8	177.4	-174.8	0	111.2	R490	K436-R490 PolarHBondContact O-NH2 3.48Å
437	N	88.6	Confident	89.2	Confident	22 Å²	22	53.2 Å²	53.2	12%	0.118	27%	0.27	C	S	.	.			trans	-50.6	146	168.7	-75.2	-8.6	0	0	0	112.8	V445 F446 N447 E523	N437-V445 VanDerWaalsContact CA-O 3.31Å; N437-V445 WeakPolarHBondContact CA-O 3.37Å; N437-F446 WeakPolarHBondContact OD1-CA 3.32Å; N437-N447 PolarHBondContact OD1-N 3.03Å; N437-E523 VanDerWaalsContact ND2-C 3.29Å; N437-E523 WeakPolarHBondContact ND2-CB 3.27Å; N437-E523 PolarHBondContact ND2-O 3.26Å; N437-E523 PolarHBondContact OD1-OE2 2.96Å
438	V	89.6	Confident	89.1	Confident	34 Å²	34	53.2 Å²	53.2	21%	0.206	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-91.9	105.6	167.5	178.3	0	0	0	0	107.9	D416 S440 K444 V445	D416-V438 HydrophobicContact CB-CG2 3.99Å; D416-V438 WeakPolarHBondContact OD1-CG2 3.39Å; V438-S440 VanDerWaalsContact C-N 3.31Å; V438-S440 PolarHBondContact O-N 2.82Å; V438-K444 CarbonylContact O-C 3.59Å; V438-K444 WeakPolarHBondContact O-CA 3.45Å; V438-K444 WeakPolarHBondContact O-CB 3.48Å; V438-V445 HydrophobicContact CB-CB 3.95Å; V438-V445 HydrophobicContact CB-CG2 4.14Å; V438-V445 HydrophobicContact CG2-CB 4.17Å; V438-V445 HydrophobicContact CG2-CG2 4.38Å; V438-V445 PolarHBondContact N-O 2.83Å; V438-V445 PolarHBondContact O-N 3.16Å
439	C	90.2	Very high	88.8	Confident	71 Å²	71	55.1 Å²	55.1	48%	0.48	28%	0.278	S	S	.	.			trans	-97	49.7	178.9	-60.4	0	0	0	0	111.7	C525	C439-C525 WeakPolarHBondContact CA-SG 3Å; C439-C525 HydrophobicContact CB-CB 3.72Å; C439-C525 WeakPolarHBondContact CB-SG 3.22Å; C439-C525 VanDerWaalsContact SG-CA 3.52Å; C439-C525 WeakPolarHBondContact SG-CB 2.78Å; C439-C525 CovalentContact SG-SG 2.04Å; C439-C525 PolarHBondContact SG-SG 3.13Å
440	S	89.2	Confident	88.3	Confident	49 Å²	49	59.6 Å²	59.6	34%	0.343	30%	0.302	S	S	.	.			trans	-72	155.5	176.9	177.3	0	0	0	0	111.4	V438 T442 Y443 K444	V438-S440 VanDerWaalsContact C-N 3.31Å; V438-S440 PolarHBondContact O-N 2.82Å; S440-T442 VanDerWaalsContact C-N 3.28Å; S440-T442 PolarHBondContact O-N 3.42Å; S440-T442 PolarHBondContact OG-N 2.85Å; S440-Y443 WeakPolarHBondContact CB-O 3.32Å; S440-K444 WeakPolarHBondContact O-CG 3.2Å
441	N	85.4	Confident	88	Confident	169 Å²	169	60.1 Å²	60.1	90%	0.904	31%	0.308	S	S	*	.	S	Bend	trans	-72.8	-20.6	175.3	-68.1	-27.3	0	0	0	113
442	T	89.7	Confident	87.9	Confident	99 Å²	99	60.1 Å²	60.1	61%	0.607	31%	0.308	S	S	*	.	S	Bend	trans	-95.7	-62.7	-175.4	-46.9	0	0	0	0	111.9	S440	S440-T442 VanDerWaalsContact C-N 3.28Å; S440-T442 PolarHBondContact O-N 3.42Å; S440-T442 PolarHBondContact OG-N 2.85Å
443	Y	93.6	Very high	88.3	Confident	64 Å²	64	61.7 Å²	61.7	25%	0.251	31%	0.312	S	S	.	.			trans	-136.1	128.8	176.5	-54.5	-60.3	0	0	0	109.2	P420 I421 K424 S440	P420-Y443 HydrophobicContact CB-CD2 4.12Å; P420-Y443 HydrophobicContact CB-CG 4.02Å; I421-Y443 HydrophobicContact CG1-CD2 4.42Å; K424-Y443 VanDerWaalsContact CA-CZ 3.44Å; K424-Y443 WeakPolarHBondContact CA-OH 3.46Å; K424-Y443 HydrophobicContact CB-CE1 4.33Å; K424-Y443 WeakPolarHBondContact CB-OH 3.46Å; K424-Y443 WeakPolarHBondContact O-CE1 3.14Å; S440-Y443 WeakPolarHBondContact CB-O 3.32Å
444	K	94	Very high	89.3	Confident	81 Å²	81	58.8 Å²	58.8	35%	0.352	30%	0.297	S	S	.	.			trans	-93.9	156	-180	-60.5	177.6	-173.2	175.6	0	110.2	S426 L427 V438 S440 F446	S426-K444 CarbonylContact C-O 3.51Å; S426-K444 WeakPolarHBondContact CA-O 3.25Å; S426-K444 VanDerWaalsContact CB-O 3.31Å; S426-K444 WeakPolarHBondContact CB-O 2.92Å; S426-K444 PolarHBondContact OG-N 3.17Å; L427-K444 PolarHBondContact N-O 3.09Å; V438-K444 CarbonylContact O-C 3.59Å; V438-K444 WeakPolarHBondContact O-CA 3.45Å; V438-K444 WeakPolarHBondContact O-CB 3.48Å; S440-K444 WeakPolarHBondContact O-CG 3.2Å; K444-F446 HydrophobicContact CB-CD2 4.19Å; K444-F446 HydrophobicContact CB-CE2 3.54Å; K444-F446 HydrophobicContact CB-CZ 3.87Å; K444-F446 HydrophobicContact CD-CE2 3.88Å; K444-F446 HydrophobicContact CD-CZ 3.53Å; K444-F446 HydrophobicContact CG-CE2 4.36Å; K444-F446 HydrophobicContact CG-CZ 4.33Å
445	V	93.7	Very high	90.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	112.1	171.7	-172.9	0	0	0	0	108.2	F415 P420 L427 A429 N437 V438	F415-V445 WeakPolarHBondContact O-CG2 3.47Å; P420-V445 HydrophobicContact CG-CG2 3.94Å; L427-V445 CarbonylContact O-C 3.43Å; L427-V445 WeakPolarHBondContact O-CA 3.44Å; A429-V445 HydrophobicContact CB-CG1 4.4Å; N437-V445 VanDerWaalsContact CA-O 3.31Å; N437-V445 WeakPolarHBondContact CA-O 3.37Å; V438-V445 HydrophobicContact CB-CB 3.95Å; V438-V445 HydrophobicContact CB-CG2 4.14Å; V438-V445 HydrophobicContact CG2-CB 4.17Å; V438-V445 HydrophobicContact CG2-CG2 4.38Å; V438-V445 PolarHBondContact N-O 2.83Å; V438-V445 PolarHBondContact O-N 3.16Å
446	F	92.8	Very high	90.4	Very high	18 Å²	18	55 Å²	55	8%	0.079	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136	-179	-65	-72.5	0	0	0	110.4	L427 M428 A429 N437 K444 E476 E523 C525	L427-F446 PolarHBondContact O-N 3.18Å; M428-F446 CarbonylContact C-O 3.42Å; M428-F446 WeakPolarHBondContact CA-O 3.34Å; M428-F446 HydrophobicContact CG-CB 4.26Å; A429-F446 PolarHBondContact N-O 2.82Å; N437-F446 WeakPolarHBondContact OD1-CA 3.32Å; K444-F446 HydrophobicContact CB-CD2 4.19Å; K444-F446 HydrophobicContact CB-CE2 3.54Å; K444-F446 HydrophobicContact CB-CZ 3.87Å; K444-F446 HydrophobicContact CD-CE2 3.88Å; K444-F446 HydrophobicContact CD-CZ 3.53Å; K444-F446 HydrophobicContact CG-CE2 4.36Å; K444-F446 HydrophobicContact CG-CZ 4.33Å; F446-E476 HydrophobicContact CD2-CG 4.35Å; F446-E476 WeakPolarHBondContact CD2-OE1 3.47Å; F446-E476 VanDerWaalsContact CD2-OE2 3.22Å; F446-E476 WeakPolarHBondContact CD2-OE2 3.48Å; F446-E476 VanDerWaalsContact CE2-OE1 3.27Å; F446-E476 WeakPolarHBondContact CE2-OE1 3.2Å; F446-E476 WeakPolarHBondContact CE2-OE2 3.44Å; F446-E523 WeakPolarHBondContact CD1-O 3.39Å; F446-C525 HydrophobicContact CE1-CB 4.23Å; F446-C525 VanDerWaalsContact CE1-SG 3.55Å
447	N	92.7	Very high	90.3	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.011	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.9	167.7	-68.4	-42.6	0	0	0	109.7	N433 L435 N437 R490 S522 E523	N433-N447 VanDerWaalsContact OD1-CG 3.31Å; N433-N447 PolarHBondContact OD1-OD1 2.86Å; N433-N447 VanDerWaalsContact OD1-OD1 3.14Å; L435-N447 PolarHBondContact O-ND2 2.8Å; N437-N447 PolarHBondContact OD1-N 3.03Å; N447-R490 VanDerWaalsContact CG-NH1 3.33Å; N447-R490 PolarHBondContact ND2-NH1 3.25Å; N447-R490 PolarHBondContact OD1-NH1 3.03Å; N447-S522 WeakPolarHBondContact O-CA 3.26Å; N447-E523 PolarHBondContact O-N 2.9Å
448	I	92.7	Very high	90	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-73.8	126.9	161.7	-59	169	0	0	0	106.2	M428 A429 W430 W472 A517 A520	M428-I448 HydrophobicContact CB-CD1 3.97Å; M428-I448 HydrophobicContact CB-CG1 3.89Å; A429-I448 PolarHBondContact O-N 2.89Å; W430-I448 HydrophobicContact CB-CD1 4.22Å; W430-I448 HydrophobicContact CE3-CB 3.74Å; W430-I448 HydrophobicContact CE3-CG2 3.43Å; W430-I448 VanDerWaalsContact CE3-CG2 3.43Å; W430-I448 HydrophobicContact CZ3-CB 4.32Å; W430-I448 HydrophobicContact CZ3-CG2 3.63Å; I448-W472 HydrophobicContact CD1-CH2 3.65Å; I448-W472 HydrophobicContact CD1-CZ2 4.45Å; I448-W472 HydrophobicContact CD1-CZ3 3.82Å; I448-A517 HydrophobicContact CD1-CB 3.65Å; I448-A517 HydrophobicContact CG1-CB 4.4Å; I448-A520 HydrophobicContact CG2-CB 3.54Å
449	Q	86.8	Confident	89.9	Confident	62 Å²	62	54.2 Å²	54.2	29%	0.29	32%	0.315	S	S	.	.			trans	-97.1	-84.6	-175.6	-65.3	-173.2	-48.9	0	0	110.9	K521 E523	Q449-K521 PolarHBondContact N-O 3.19Å; Q449-E523 HydrophobicContact CG-CG 3.84Å; Q449-E523 PolarHBondContact NE2-OE1 2.84Å
450	D	85.5	Confident	89.8	Confident	94 Å²	94	57.1 Å²	57.1	50%	0.503	32%	0.323	S	S	.	.	S	Bend	trans	-136.1	162.7	-169.9	-62.9	-43.6	0	0	0	111.9	A520 K521	D450-A520 CarbonylContact O-C 3.59Å; D450-A520 WeakPolarHBondContact O-CA 3.41Å; D450-K521 PolarHBondContact O-N 3.46Å
451	G	86.6	Confident	90	Very high	11 Å²	11	55 Å²	55	11%	0.113	31%	0.307	C	S	.	.			trans	81.3	19	175.3	0	0	0	0	0	114	R453	G451-R453 PolarHBondContact O-NH1 3.33Å
452	M	92.4	Very high	90.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.289	C	S	.	.			trans	-64.1	134.5	169.7	-173.4	177.1	76.7	0	0	109.7	Y201 W430 V463 W472 M516 A520	Y201-M452 VanDerWaalsContact OH-CE 3.23Å; Y201-M452 WeakPolarHBondContact OH-CE 3.48Å; W430-M452 HydrophobicContact CD2-CE 4.06Å; W430-M452 HydrophobicContact CD2-SD 3.82Å; W430-M452 HydrophobicContact CE3-SD 4.07Å; W430-M452 HydrophobicContact CG-SD 4.39Å; W430-M452 HydrophobicContact CH2-CB 3.92Å; W430-M452 HydrophobicContact CH2-CE 3.87Å; W430-M452 HydrophobicContact CH2-SD 4.11Å; W430-M452 HydrophobicContact CZ2-CB 4.46Å; W430-M452 HydrophobicContact CZ2-CE 3.21Å; W430-M452 HydrophobicContact CZ2-SD 3.88Å; W430-M452 HydrophobicContact CZ3-CB 4.12Å; W430-M452 HydrophobicContact CZ3-SD 4.21Å; M452-V463 HydrophobicContact CE-CB 3.39Å; M452-V463 HydrophobicContact CE-CG1 3.38Å; M452-V463 HydrophobicContact CE-CG2 3.97Å; M452-V463 PolarHBondContact O-N 3.38Å; M452-W472 HydrophobicContact SD-CH2 4.3Å; M452-W472 HydrophobicContact SD-CZ2 3.51Å; M452-W472 VanDerWaalsContact SD-CZ2 3.51Å; M452-M516 HydrophobicContact CE-CE 3.94Å; M452-M516 HydrophobicContact CG-CB 4.13Å; M452-M516 HydrophobicContact CG-CE 4.05Å; M452-M516 HydrophobicContact SD-CE 3.81Å; M452-A520 HydrophobicContact CB-CB 4.19Å
453	R	93.1	Very high	90.4	Very high	83 Å²	83	47.5 Å²	47.5	31%	0.313	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.1	-178.7	-63.6	-178.4	-174.9	87.3	6.9	112	G451 V455 V461 M516 M519	G451-R453 PolarHBondContact O-NH1 3.33Å; R453-V455 HydrophobicContact CB-CG2 4.5Å; R453-V461 CarbonylContact C-O 3.46Å; R453-V461 WeakPolarHBondContact CA-O 3.25Å; R453-M516 WeakPolarHBondContact O-CG 3.07Å; R453-M519 HydrophobicContact CB-CE 4.09Å; R453-M519 HydrophobicContact CB-SD 4.23Å; R453-M519 WeakPolarHBondContact O-CE 3.12Å
454	I	93.3	Very high	90.2	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.3	162.7	-66.4	172.9	0	0	0	107.1	Y201 I203 F224 W234 M460 V461 V463 M516	Y201-I454 HydrophobicContact CD1-CD1 4.13Å; Y201-I454 HydrophobicContact CD2-CD1 4.04Å; Y201-I454 HydrophobicContact CE1-CD1 4.35Å; Y201-I454 HydrophobicContact CE2-CD1 4.25Å; Y201-I454 HydrophobicContact CG-CD1 4Å; I203-I454 HydrophobicContact CG2-CD1 3.85Å; F224-I454 HydrophobicContact CD1-CG2 4.13Å; F224-I454 HydrophobicContact CD2-CD1 4.05Å; F224-I454 HydrophobicContact CD2-CG2 3.81Å; F224-I454 HydrophobicContact CE1-CG2 4.18Å; F224-I454 HydrophobicContact CE2-CD1 4.47Å; F224-I454 HydrophobicContact CE2-CG2 3.86Å; F224-I454 HydrophobicContact CG-CG2 3.94Å; F224-I454 HydrophobicContact CZ-CG2 4.05Å; W234-I454 HydrophobicContact CB-CG2 4.3Å; W234-I454 HydrophobicContact CG-CG2 3.97Å; I454-M460 WeakPolarHBondContact O-CA 3.34Å; I454-V461 HydrophobicContact CB-CB 4.43Å; I454-V461 PolarHBondContact N-O 3.03Å; I454-V461 PolarHBondContact O-N 2.87Å; I454-V463 HydrophobicContact CD1-CG2 3.9Å; I454-V463 HydrophobicContact CG1-CG2 4Å; I454-M516 HydrophobicContact CD1-CE 4.33Å; I454-M516 HydrophobicContact CG1-CE 3.58Å; I454-M516 HydrophobicContact CG1-SD 4.29Å
455	V	91.3	Very high	90.1	Very high	61 Å²	61	43.9 Å²	43.9	37%	0.37	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.8	178.3	-179.1	0	0	0	0	108.5	R453 N459 M460 M519	R453-V455 HydrophobicContact CB-CG2 4.5Å; V455-N459 WeakPolarHBondContact CA-O 3.33Å; V455-M460 HydrophobicContact CG1-CG 4.46Å; V455-M460 HydrophobicContact CG2-CG 4.13Å; V455-M460 HydrophobicContact CG2-SD 4.21Å; V455-M519 HydrophobicContact CG2-CE 3.86Å; V455-M519 HydrophobicContact CG2-SD 3.9Å
456	E	89.2	Confident	90	Very high	49 Å²	49	50.3 Å²	50.3	23%	0.229	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	110.4	177.5	-176	-90.3	165.9	0	0	108.6	F224 W234 K236 S458 N459	F224-E456 HydrophobicContact CD1-CB 4.22Å; F224-E456 HydrophobicContact CD1-CG 4.41Å; F224-E456 HydrophobicContact CE1-CB 3.82Å; F224-E456 HydrophobicContact CE1-CG 4.23Å; W234-E456 VanDerWaalsContact O-CG 3.3Å; W234-E456 WeakPolarHBondContact O-CG 3.46Å; K236-E456 HydrophobicContact CB-CG 4.24Å; E456-S458 PolarHBondContact O-N 2.73Å; E456-S458 VanDerWaalsContact O-N 3.17Å; E456-N459 PolarHBondContact N-O 2.79Å; E456-N459 WeakPolarHBondContact O-CA 3.49Å; E456-N459 VanDerWaalsContact O-CB 3.25Å; E456-N459 WeakPolarHBondContact O-CB 3.47Å; E456-N459 PolarHBondContact O-N 2.94Å; E456-N459 PolarHBondContact OE2-ND2 2.8Å
457	G	85.9	Confident	90	Very high	74 Å²	74	53.1 Å²	53.1	76%	0.763	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	-121.8	-172.1	0	0	0	0	0	112
458	S	83	Confident	90.1	Very high	116 Å²	116	53 Å²	53	81%	0.811	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-9.3	173.8	56.1	0	0	0	0	114	E456	E456-S458 PolarHBondContact O-N 2.73Å; E456-S458 VanDerWaalsContact O-N 3.17Å
459	N	86.8	Confident	90.2	Very high	34 Å²	34	54 Å²	54	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.5	-178.5	-58.1	-46.6	0	0	0	109.6	V455 E456	V455-N459 WeakPolarHBondContact CA-O 3.33Å; E456-N459 PolarHBondContact N-O 2.79Å; E456-N459 WeakPolarHBondContact O-CA 3.49Å; E456-N459 VanDerWaalsContact O-CB 3.25Å; E456-N459 WeakPolarHBondContact O-CB 3.47Å; E456-N459 PolarHBondContact O-N 2.94Å; E456-N459 PolarHBondContact OE2-ND2 2.8Å
460	M	88.5	Confident	90.6	Very high	132 Å²	132	51 Å²	51	65%	0.65	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	118.8	169.6	-66.4	-153.5	-67.4	0	0	109	I454 V455	I454-M460 WeakPolarHBondContact O-CA 3.34Å; V455-M460 HydrophobicContact CG1-CG 4.46Å; V455-M460 HydrophobicContact CG2-CG 4.13Å; V455-M460 HydrophobicContact CG2-SD 4.21Å
461	V	92.1	Very high	91.1	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.5	177.2	-172.9	0	0	0	0	109.2	I203 T206 L209 F224 R453 I454	I203-V461 HydrophobicContact CD1-CB 4.34Å; I203-V461 HydrophobicContact CD1-CG1 3.67Å; I203-V461 HydrophobicContact CD1-CG2 4.04Å; T206-V461 HydrophobicContact CG2-CG1 4.25Å; L209-V461 HydrophobicContact CD1-CG2 4.08Å; L209-V461 HydrophobicContact CD2-CG2 3.31Å; L209-V461 HydrophobicContact CG-CG2 4.13Å; F224-V461 HydrophobicContact CE2-CG2 4.05Å; F224-V461 HydrophobicContact CZ-CG2 4.01Å; R453-V461 CarbonylContact C-O 3.46Å; R453-V461 WeakPolarHBondContact CA-O 3.25Å; I454-V461 HydrophobicContact CB-CB 4.43Å; I454-V461 PolarHBondContact N-O 3.03Å; I454-V461 PolarHBondContact O-N 2.87Å
462	E	92.3	Very high	91.6	Very high	110 Å²	110	47.7 Å²	47.7	51%	0.514	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131	167.6	-174.2	160.8	-170.3	0	0	110.2	Q204	Q204-E462 PolarHBondContact NE2-O 2.86Å
463	V	92.1	Very high	91.8	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	26%	0.261	C	S	.	.			trans	-107.4	110.6	177.8	-177.6	0	0	0	0	108	Y201 W430 M452 I454 D468	Y201-V463 HydrophobicContact CE2-CG1 4.43Å; W430-V463 HydrophobicContact CZ2-CG1 4.18Å; M452-V463 HydrophobicContact CE-CB 3.39Å; M452-V463 HydrophobicContact CE-CG1 3.38Å; M452-V463 HydrophobicContact CE-CG2 3.97Å; M452-V463 PolarHBondContact O-N 3.38Å; I454-V463 HydrophobicContact CD1-CG2 3.9Å; I454-V463 HydrophobicContact CG1-CG2 4Å; V463-D468 HydrophobicContact CG1-CB 4Å; V463-D468 WeakPolarHBondContact CG1-OD2 3.26Å
464	D	90.4	Very high	92	Very high	62 Å²	62	43.8 Å²	43.8	33%	0.332	25%	0.246	S	C	.	.			trans	-75.1	129.7	173.8	-175.2	-16.2	0	0	0	109.6	E466 M467 D468	D464-E466 VanDerWaalsContact C-N 3.28Å; D464-E466 PolarHBondContact O-N 3.36Å; D464-E466 PolarHBondContact OD1-N 3.32Å; D464-M467 HydrophobicContact CB-CB 4.24Å; D464-M467 HydrophobicContact CB-CE 3.59Å; D464-M467 HydrophobicContact CB-CG 4.41Å; D464-M467 CarbonylContact O-C 3.58Å; D464-M467 PolarHBondContact O-N 3.43Å; D464-D468 VanDerWaalsContact O-CB 3.25Å; D464-D468 WeakPolarHBondContact O-CB 3.34Å; D464-D468 PolarHBondContact O-N 3.04Å
465	R	91.3	Very high	92.1	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.026	25%	0.246	C	C	.	.	S	Bend	trans	-61.6	-34.8	178.4	-175.3	63.2	-131.7	124	-4	112.7	W430 T431 M467 D468 S470	W430-R465 VanDerWaalsContact CE2-CD 3.49Å; W430-R465 HydrophobicContact CH2-CB 3.6Å; W430-R465 HydrophobicContact CH2-CG 4.21Å; W430-R465 HydrophobicContact CZ2-CB 3.92Å; W430-R465 HydrophobicContact CZ2-CG 4.35Å; W430-R465 HydrophobicContact CZ3-CB 4.14Å; W430-R465 HydrophobicContact CZ3-CG 4.41Å; T431-R465 VanDerWaalsContact C-NE 3.29Å; T431-R465 PolarHBondContact O-NE 2.98Å; T431-R465 VanDerWaalsContact O-NE 3.16Å; R465-M467 VanDerWaalsContact C-N 3.33Å; R465-D468 VanDerWaalsContact NH1-CB 3.28Å; R465-D468 PolarHBondContact NH1-O 3.4Å; R465-D468 IonicContact NH1-OD1 3.33Å; R465-D468 IonicContact NH1-OD2 3.19Å; R465-D468 PolarHBondContact NH1-OD2 3.21Å; R465-D468 PolarHBondContact NH2-O 2.88Å; R465-D468 PolarHBondContact O-N 3.14Å; R465-S470 PolarHBondContact NH1-O 2.9Å; R465-S470 PolarHBondContact NH2-O 2.98Å
466	E	90.8	Very high	92.2	Very high	134 Å²	134	44.8 Å²	44.8	63%	0.626	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-31.8	-178.9	-65.7	-55.7	135.3	0	0	111.7	D464 D468	D464-E466 VanDerWaalsContact C-N 3.28Å; D464-E466 PolarHBondContact O-N 3.36Å; D464-E466 PolarHBondContact OD1-N 3.32Å; E466-D468 VanDerWaalsContact C-N 3.32Å; E466-D468 PolarHBondContact O-N 3.41Å
467	M	93.1	Very high	92.2	Very high	77 Å²	77	46.1 Å²	46.1	38%	0.379	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	23.8	175.5	-59.3	-169.7	-74.2	0	0	112.9	Q204 N327 A328 D464 R465	Q204-M467 HydrophobicContact CB-CB 4.49Å; Q204-M467 HydrophobicContact CG-CE 4.29Å; N327-M467 CarbonylContact C-O 3.46Å; N327-M467 WeakPolarHBondContact CA-O 3.26Å; N327-M467 VanDerWaalsContact CB-O 3.3Å; N327-M467 WeakPolarHBondContact CB-O 3.4Å; A328-M467 PolarHBondContact N-O 2.99Å; D464-M467 HydrophobicContact CB-CB 4.24Å; D464-M467 HydrophobicContact CB-CE 3.59Å; D464-M467 HydrophobicContact CB-CG 4.41Å; D464-M467 CarbonylContact O-C 3.58Å; D464-M467 PolarHBondContact O-N 3.43Å; R465-M467 VanDerWaalsContact C-N 3.33Å
468	D	94.9	Very high	92.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-135.7	119.8	-178.1	-179	2.8	0	0	0	111.6	Y201 A328 W430 K432 V463 D464 R465 E466 S470	Y201-D468 PolarHBondContact OH-OD2 3.11Å; A328-D468 HydrophobicContact CB-CB 3.93Å; W430-D468 PolarHBondContact NE1-OD2 3.44Å; K432-D468 VanDerWaalsContact CE-O 3.25Å; K432-D468 WeakPolarHBondContact CE-O 3.48Å; V463-D468 HydrophobicContact CG1-CB 4Å; V463-D468 WeakPolarHBondContact CG1-OD2 3.26Å; D464-D468 VanDerWaalsContact O-CB 3.25Å; D464-D468 WeakPolarHBondContact O-CB 3.34Å; D464-D468 PolarHBondContact O-N 3.04Å; R465-D468 VanDerWaalsContact NH1-CB 3.28Å; R465-D468 PolarHBondContact NH1-O 3.4Å; R465-D468 IonicContact NH1-OD1 3.33Å; R465-D468 IonicContact NH1-OD2 3.19Å; R465-D468 PolarHBondContact NH1-OD2 3.21Å; R465-D468 PolarHBondContact NH2-O 2.88Å; R465-D468 PolarHBondContact O-N 3.14Å; E466-D468 VanDerWaalsContact C-N 3.32Å; E466-D468 PolarHBondContact O-N 3.41Å; D468-S470 VanDerWaalsContact CG-OG 3.25Å; D468-S470 WeakPolarHBondContact OD1-CA 3.4Å; D468-S470 WeakPolarHBondContact OD1-CB 3.48Å; D468-S470 PolarHBondContact OD1-N 2.84Å; D468-S470 PolarHBondContact OD1-OG 3.03Å; D468-S470 PolarHBondContact OD2-OG 2.88Å; D468-S470 VanDerWaalsContact OD2-OG 3.04Å
469	D	95	Very high	92.9	Very high	21 Å²	21	44.3 Å²	44.3	11%	0.112	24%	0.24	C	C	.	.			trans	-97.2	3.6	178.4	-67.7	-45.1	0	0	0	112.9	S307 N327 A328 Q329 K432 R471	S307-D469 VanDerWaalsContact CB-O 3.26Å; S307-D469 WeakPolarHBondContact CB-O 3.48Å; N327-D469 WeakPolarHBondContact CB-OD2 3.32Å; N327-D469 PolarHBondContact ND2-OD2 2.8Å; A328-D469 PolarHBondContact O-N 2.94Å; Q329-D469 PolarHBondContact NE2-OD2 3.44Å; K432-D469 IonicContact NZ-OD1 3.42Å; K432-D469 PolarHBondContact NZ-OD1 2.98Å; D469-R471 WeakPolarHBondContact O-CD 3.39Å; D469-R471 PolarHBondContact O-NH1 2.8Å
470	S	95.4	Very high	93.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.25	C	S	.	.			trans	-71.4	149.9	168.4	77.2	0	0	0	0	111.3	Y201 R465 D468	Y201-S470 PolarHBondContact OH-OG 2.85Å; R465-S470 PolarHBondContact NH1-O 2.9Å; R465-S470 PolarHBondContact NH2-O 2.98Å; D468-S470 VanDerWaalsContact CG-OG 3.25Å; D468-S470 WeakPolarHBondContact OD1-CA 3.4Å; D468-S470 WeakPolarHBondContact OD1-CB 3.48Å; D468-S470 PolarHBondContact OD1-N 2.84Å; D468-S470 PolarHBondContact OD1-OG 3.03Å; D468-S470 PolarHBondContact OD2-OG 2.88Å; D468-S470 VanDerWaalsContact OD2-OG 3.04Å
471	R	95.9	Very high	93.5	Very high	36 Å²	36	41.9 Å²	41.9	14%	0.136	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.6	169.5	-67.9	85.1	171.9	172.1	-6	109.9	W430 T431 D469 T486 D489	W430-R471 VanDerWaalsContact O-CA 3.27Å; W430-R471 WeakPolarHBondContact O-CA 3.05Å; T431-R471 HydrophobicContact CG2-CB 4.23Å; T431-R471 HydrophobicContact CG2-CG 4.13Å; D469-R471 WeakPolarHBondContact O-CD 3.39Å; D469-R471 PolarHBondContact O-NH1 2.8Å; R471-T486 CarbonylContact C-O 2.97Å; R471-T486 HydrophobicContact CB-CG2 3.94Å; R471-T486 WeakPolarHBondContact CB-O 3.33Å; R471-T486 PolarHBondContact O-N 2.92Å; R471-D489 VanDerWaalsContact CG-OD1 3.23Å; R471-D489 WeakPolarHBondContact CG-OD1 3.25Å; R471-D489 IonicContact CZ-OD1 2.85Å; R471-D489 IonicContact CZ-OD2 3.22Å; R471-D489 VanDerWaalsContact NE-CG 3.31Å; R471-D489 IonicContact NE-OD1 3.42Å; R471-D489 PolarHBondContact NE-OD1 3.49Å; R471-D489 IonicContact NE-OD2 3.79Å; R471-D489 PolarHBondContact NE-OD2 2.82Å; R471-D489 VanDerWaalsContact NE-OD2 3.12Å; R471-D489 IonicContact NH2-OD1 3.9Å; R471-D489 IonicContact NH2-OD2 3.78Å; R471-D489 PolarHBondContact NH2-OD2 3.3Å
472	W	96.8	Very high	93.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	168.8	179.9	53.3	-93.9	0	0	0	111.1	W430 I448 M452 V474 C484 F513 A517	W430-W472 HydrophobicContact CB-CD2 3.72Å; W430-W472 VanDerWaalsContact CB-CE2 3.45Å; W430-W472 HydrophobicContact CB-CE3 4.22Å; W430-W472 HydrophobicContact CB-CG 4.17Å; W430-W472 HydrophobicContact CB-CH2 4.25Å; W430-W472 HydrophobicContact CB-CZ2 3.76Å; W430-W472 HydrophobicContact CB-CZ3 4.45Å; W430-W472 AromaticContact CD1-CD1 3.68Å; W430-W472 AromaticContact CD1-CE2 3.73Å; W430-W472 AromaticContact CD1-NE1 3.12Å; W430-W472 HydrophobicContact CG-CD2 4.4Å; W430-W472 AromaticContact CG-CE2 3.69Å; W430-W472 AromaticContact CG-CZ2 3.93Å; W430-W472 HydrophobicContact CG-CZ2 3.93Å; W430-W472 AromaticContact CG-NE1 3.57Å; W430-W472 PolarHBondContact N-O 3.3Å; W430-W472 AromaticContact NE1-NE1 3.88Å; W430-W472 PolarHBondContact O-N 3.06Å; W430-W472 VanDerWaalsContact O-N 3.12Å; I448-W472 HydrophobicContact CD1-CH2 3.65Å; I448-W472 HydrophobicContact CD1-CZ2 4.45Å; I448-W472 HydrophobicContact CD1-CZ3 3.82Å; M452-W472 HydrophobicContact SD-CH2 4.3Å; M452-W472 HydrophobicContact SD-CZ2 3.51Å; M452-W472 VanDerWaalsContact SD-CZ2 3.51Å; W472-V474 HydrophobicContact CE3-CG1 3.95Å; W472-V474 HydrophobicContact CZ3-CB 4.37Å; W472-V474 HydrophobicContact CZ3-CG1 3.72Å; W472-V474 HydrophobicContact CZ3-CG2 3.91Å; W472-C484 CarbonylContact C-O 3.56Å; W472-C484 WeakPolarHBondContact CA-O 3.43Å; W472-C484 WeakPolarHBondContact CB-O 3.22Å; W472-F513 AromaticContact CD1-CE1 3.76Å; W472-F513 AromaticContact CD2-CD1 3.44Å; W472-F513 HydrophobicContact CD2-CD1 3.44Å; W472-F513 VanDerWaalsContact CD2-CD1 3.44Å; W472-F513 AromaticContact CD2-CE1 3.79Å; W472-F513 HydrophobicContact CD2-CE1 3.79Å; W472-F513 AromaticContact CE2-CD1 3.43Å; W472-F513 VanDerWaalsContact CE2-CD1 3.43Å; W472-F513 AromaticContact CE2-CE1 3.67Å; W472-F513 HydrophobicContact CE3-CB 4.35Å; W472-F513 AromaticContact CE3-CD1 3.69Å; W472-F513 HydrophobicContact CE3-CD1 3.69Å; W472-F513 HydrophobicContact CE3-CE1 4.46Å; W472-F513 HydrophobicContact CE3-CG 4.43Å; W472-F513 AromaticContact CG-CD1 3.97Å; W472-F513 HydrophobicContact CG-CD1 3.97Å; W472-F513 AromaticContact CG-CE1 3.84Å; W472-F513 HydrophobicContact CG-CE1 3.84Å; W472-F513 HydrophobicContact CH2-CB 4.38Å; W472-F513 AromaticContact CH2-CD1 3.9Å; W472-F513 HydrophobicContact CH2-CD1 3.9Å; W472-F513 AromaticContact CZ2-CD1 3.66Å; W472-F513 HydrophobicContact CZ2-CD1 3.66Å; W472-F513 HydrophobicContact CZ2-CE1 4.22Å; W472-F513 HydrophobicContact CZ3-CB 4.09Å; W472-F513 AromaticContact CZ3-CD1 3.92Å; W472-F513 HydrophobicContact CZ3-CD1 3.92Å; W472-F513 AromaticContact NE1-CD1 3.92Å; W472-F513 AromaticContact NE1-CE1 3.64Å; W472-A517 HydrophobicContact CH2-CB 4.13Å; W472-A517 HydrophobicContact CZ3-CB 4.42Å
473	A	96.4	Very high	94	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.7	172.8	0	0	0	0	0	111.3	F415 M428 A429 W483 C484	F415-A473 HydrophobicContact CE1-CB 4.19Å; M428-A473 CarbonylContact O-C 3.58Å; M428-A473 VanDerWaalsContact O-CA 3.22Å; M428-A473 WeakPolarHBondContact O-CA 3.18Å; A429-A473 HydrophobicContact CB-CB 4.42Å; A473-W483 CarbonylContact O-C 3.58Å; A473-W483 WeakPolarHBondContact O-CA 3.25Å; A473-C484 PolarHBondContact N-O 2.65Å; A473-C484 PolarHBondContact O-N 3.34Å
474	V	96.8	Very high	94.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.1	174.1	-69.2	0	0	0	0	111.1	L427 M428 W472 I482 W483 F513 A517	L427-V474 CarbonylContact C-O 3.57Å; L427-V474 VanDerWaalsContact CA-O 3.31Å; L427-V474 WeakPolarHBondContact CA-O 3.27Å; M428-V474 HydrophobicContact CB-CG2 3.96Å; M428-V474 HydrophobicContact CE-CG2 4.06Å; M428-V474 PolarHBondContact N-O 2.77Å; M428-V474 PolarHBondContact O-N 3.08Å; W472-V474 HydrophobicContact CE3-CG1 3.95Å; W472-V474 HydrophobicContact CZ3-CB 4.37Å; W472-V474 HydrophobicContact CZ3-CG1 3.72Å; W472-V474 HydrophobicContact CZ3-CG2 3.91Å; V474-I482 CarbonylContact C-O 3.5Å; V474-I482 VanDerWaalsContact CA-O 3.3Å; V474-I482 WeakPolarHBondContact CA-O 3.3Å; V474-W483 HydrophobicContact CG1-CB 4.31Å; V474-W483 HydrophobicContact CG1-CG 4.46Å; V474-F513 HydrophobicContact CG1-CB 3.5Å; V474-A517 HydrophobicContact CG2-CB 4.01Å
475	G	96	Very high	94.6	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	136.9	173	0	0	0	0	0	112.5	S426 I482 Y510	S426-G475 WeakPolarHBondContact O-CA 3.42Å; G475-I482 PolarHBondContact N-O 2.93Å; G475-Y510 WeakPolarHBondContact O-CE2 3.17Å; G475-Y510 PolarHBondContact O-OH 3.35Å; G475-Y510 VanDerWaalsContact O-OH 3.07Å
476	E	92.4	Very high	94.9	Very high	82 Å²	82	33.8 Å²	33.8	38%	0.383	19%	0.192	S	C	.	.	S	Bend	trans	-72.1	-32.4	173.9	-75.1	-172.5	104.1	0	0	113.1	S426 M428 F446 A478	S426-E476 WeakPolarHBondContact CB-OE2 3.26Å; S426-E476 PolarHBondContact O-N 2.9Å; M428-E476 HydrophobicContact CE-CG 4.14Å; M428-E476 HydrophobicContact CG-CG 3.78Å; M428-E476 HydrophobicContact SD-CG 4.36Å; F446-E476 HydrophobicContact CD2-CG 4.35Å; F446-E476 WeakPolarHBondContact CD2-OE1 3.47Å; F446-E476 VanDerWaalsContact CD2-OE2 3.22Å; F446-E476 WeakPolarHBondContact CD2-OE2 3.48Å; F446-E476 VanDerWaalsContact CE2-OE1 3.27Å; F446-E476 WeakPolarHBondContact CE2-OE1 3.2Å; F446-E476 WeakPolarHBondContact CE2-OE2 3.44Å; E476-A478 PolarHBondContact O-N 3.16Å
477	N	90.8	Very high	95.1	Very high	77 Å²	77	27.8 Å²	27.8	41%	0.412	16%	0.164	S	C	.	.			trans	-80.5	106.6	179.8	-174.3	-0.2	0	0	0	110.2	A479 L480	N477-A479 PolarHBondContact O-N 2.91Å; N477-A479 VanDerWaalsContact O-N 3.13Å; N477-A479 VanDerWaalsContact OD1-CB 3.26Å; N477-A479 WeakPolarHBondContact OD1-CB 3.48Å; N477-A479 PolarHBondContact OD1-N 3.45Å; N477-L480 HydrophobicContact CB-CB 4.42Å; N477-L480 CarbonylContact O-C 3.2Å; N477-L480 WeakPolarHBondContact O-CA 3.31Å; N477-L480 PolarHBondContact O-N 2.62Å
478	A	90.8	Very high	95.1	Very high	72 Å²	72	24.4 Å²	24.4	60%	0.595	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.9	175.6	0	0	0	0	0	114	E476 L480 Y510	E476-A478 PolarHBondContact O-N 3.16Å; A478-L480 PolarHBondContact O-N 3.3Å; A478-Y510 WeakPolarHBondContact CA-OH 3.4Å
479	A	92.3	Very high	94.9	Very high	80 Å²	80	26 Å²	26	66%	0.661	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-14.1	171.9	0	0	0	0	0	113.2	N477 P481	N477-A479 PolarHBondContact O-N 2.91Å; N477-A479 VanDerWaalsContact O-N 3.13Å; N477-A479 VanDerWaalsContact OD1-CB 3.26Å; N477-A479 WeakPolarHBondContact OD1-CB 3.48Å; N477-A479 PolarHBondContact OD1-N 3.45Å; A479-P481 VanDerWaalsContact C-CD 3.46Å
480	L	92.2	Very high	94.8	Very high	75 Å²	75	25.1 Å²	25.1	39%	0.393	15%	0.152	S	C	.	.	S	Bend	trans	-124.2	67.9	173.7	-64	176.2	0	0	0	108.8	K424 N477 A478 I482	K424-L480 VanDerWaalsContact O-CD1 3.26Å; K424-L480 WeakPolarHBondContact O-CD1 3.48Å; N477-L480 HydrophobicContact CB-CB 4.42Å; N477-L480 CarbonylContact O-C 3.2Å; N477-L480 WeakPolarHBondContact O-CA 3.31Å; N477-L480 PolarHBondContact O-N 2.62Å; A478-L480 PolarHBondContact O-N 3.3Å; L480-I482 PolarHBondContact O-N 3.45Å
481	P	94.8	Very high	94.6	Very high	41 Å²	41	25.9 Å²	25.9	27%	0.266	16%	0.157	S	C	.	.			trans	-66	108.7	-174.7	28.9	-34.4	0	0	0	108.9	A479 T505 Y510	A479-P481 VanDerWaalsContact C-CD 3.46Å; P481-T505 WeakPolarHBondContact O-CA 3.4Å; P481-T505 WeakPolarHBondContact O-CB 3.44Å; P481-T505 WeakPolarHBondContact O-CG2 3.45Å; P481-Y510 HydrophobicContact CB-CD1 3.35Å; P481-Y510 HydrophobicContact CB-CD2 3.9Å; P481-Y510 HydrophobicContact CB-CE1 3.78Å; P481-Y510 HydrophobicContact CB-CE2 4.28Å; P481-Y510 HydrophobicContact CB-CG 3.41Å; P481-Y510 VanDerWaalsContact CB-CG 3.41Å
482	I	97.1	Very high	94.3	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.026	18%	0.184	C	C	.	.			trans	-132.7	130.6	178	-168.6	72.4	0	0	0	108.9	Q423 T425 L427 V474 G475 L480 C503 T505 Y510	Q423-I482 HydrophobicContact CB-CG1 4.38Å; Q423-I482 HydrophobicContact CB-CG2 4.48Å; Q423-I482 HydrophobicContact CG-CD1 4.35Å; Q423-I482 HydrophobicContact CG-CG1 3.95Å; T425-I482 HydrophobicContact CG2-CG2 3.58Å; L427-I482 HydrophobicContact CD2-CG2 4.35Å; V474-I482 CarbonylContact C-O 3.5Å; V474-I482 VanDerWaalsContact CA-O 3.3Å; V474-I482 WeakPolarHBondContact CA-O 3.3Å; G475-I482 PolarHBondContact N-O 2.93Å; L480-I482 PolarHBondContact O-N 3.45Å; I482-C503 HydrophobicContact CD1-CB 3.83Å; I482-C503 HydrophobicContact CG1-CB 4.24Å; I482-T505 HydrophobicContact CD1-CG2 3.98Å; I482-Y510 VanDerWaalsContact N-CD2 3.33Å; I482-Y510 WeakPolarHBondContact O-CD2 3.42Å
483	W	97.9	Very high	93.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.1	167.3	167.2	83.9	0	0	0	108.4	L199 F332 A473 V474 F485 C503 S504 L509 F513	L199-W483 HydrophobicContact CD1-CH2 3.97Å; L199-W483 HydrophobicContact CD1-CZ2 4.2Å; L199-W483 HydrophobicContact CD2-CH2 3.95Å; L199-W483 HydrophobicContact CD2-CZ2 3.7Å; F332-W483 AromaticContact CD1-CH2 3.92Å; F332-W483 HydrophobicContact CD1-CH2 3.92Å; F332-W483 HydrophobicContact CD1-CZ3 4.25Å; F332-W483 AromaticContact CE1-CH2 3.69Å; F332-W483 HydrophobicContact CE1-CH2 3.69Å; F332-W483 AromaticContact CE1-CZ3 3.56Å; F332-W483 HydrophobicContact CE1-CZ3 3.56Å; F332-W483 HydrophobicContact CZ-CH2 4.17Å; F332-W483 AromaticContact CZ-CZ3 3.91Å; F332-W483 HydrophobicContact CZ-CZ3 3.91Å; A473-W483 CarbonylContact O-C 3.58Å; A473-W483 WeakPolarHBondContact O-CA 3.25Å; V474-W483 HydrophobicContact CG1-CB 4.31Å; V474-W483 HydrophobicContact CG1-CG 4.46Å; W483-F485 HydrophobicContact CH2-CB 3.72Å; W483-F485 HydrophobicContact CZ2-CB 3.91Å; W483-F485 HydrophobicContact CZ3-CB 4.32Å; W483-C503 CarbonylContact O-C 3.54Å; W483-C503 WeakPolarHBondContact O-CA 3.31Å; W483-S504 PolarHBondContact N-O 3.14Å; W483-S504 PolarHBondContact O-N 3.39Å; W483-L509 HydrophobicContact CB-CB 4.36Å; W483-L509 HydrophobicContact CD2-CB 4.12Å; W483-L509 HydrophobicContact CD2-CD2 4.47Å; W483-L509 HydrophobicContact CE3-CB 3.95Å; W483-L509 HydrophobicContact CE3-CD1 3.72Å; W483-L509 HydrophobicContact CE3-CD2 4.16Å; W483-L509 HydrophobicContact CE3-CG 4.16Å; W483-L509 HydrophobicContact CG-CB 4.34Å; W483-L509 HydrophobicContact CH2-CD2 4.1Å; W483-L509 HydrophobicContact CZ2-CD2 4.43Å; W483-L509 HydrophobicContact CZ3-CD1 3.65Å; W483-L509 HydrophobicContact CZ3-CD2 3.97Å; W483-L509 HydrophobicContact CZ3-CG 4.28Å; W483-F513 AromaticContact CD1-CD1 3.86Å; W483-F513 AromaticContact CD1-CD2 3.55Å; W483-F513 AromaticContact CD1-CG 3.36Å; W483-F513 AromaticContact CE2-CD2 3.92Å; W483-F513 AromaticContact CE2-CE2 3.76Å; W483-F513 HydrophobicContact CG-CD2 4.29Å; W483-F513 HydrophobicContact CG-CG 4.42Å; W483-F513 AromaticContact CZ2-CE2 3.97Å; W483-F513 HydrophobicContact CZ2-CE2 3.97Å; W483-F513 HydrophobicContact CZ2-CZ 4.04Å; W483-F513 AromaticContact NE1-CD1 3.42Å; W483-F513 AromaticContact NE1-CD2 3.26Å; W483-F513 VanDerWaalsContact NE1-CD2 3.26Å; W483-F513 AromaticContact NE1-CE1 3.57Å; W483-F513 AromaticContact NE1-CE2 3.42Å; W483-F513 AromaticContact NE1-CG 3.25Å; W483-F513 VanDerWaalsContact NE1-CG 3.25Å; W483-F513 AromaticContact NE1-CZ 3.57Å
484	C	98.2	Very high	93.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.1	-179.9	-63.2	0	0	0	0	110.5	W472 A473 A501 L502 C503	W472-C484 CarbonylContact C-O 3.56Å; W472-C484 WeakPolarHBondContact CA-O 3.43Å; W472-C484 WeakPolarHBondContact CB-O 3.22Å; A473-C484 PolarHBondContact N-O 2.65Å; A473-C484 PolarHBondContact O-N 3.34Å; C484-A501 HydrophobicContact CB-CB 4.43Å; C484-L502 CarbonylContact C-O 3.5Å; C484-L502 WeakPolarHBondContact CA-O 2.94Å; C484-C503 HydrophobicContact CB-CB 4.08Å; C484-C503 WeakPolarHBondContact CB-SG 3.44Å; C484-C503 WeakPolarHBondContact SG-CB 3.17Å; C484-C503 CovalentContact SG-SG 2.04Å; C484-C503 PolarHBondContact SG-SG 3.45Å
485	F	97.9	Very high	93.5	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.022	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	142	164.7	175.4	-98.9	0	0	0	110.4	T305 M330 F332 W483 L487 A501 L502	T305-F485 HydrophobicContact CG2-CD1 3.9Å; T305-F485 HydrophobicContact CG2-CE1 3.5Å; T305-F485 VanDerWaalsContact CG2-CE1 3.5Å; T305-F485 HydrophobicContact CG2-CZ 4.36Å; M330-F485 HydrophobicContact CB-CE2 3.95Å; M330-F485 HydrophobicContact CG-CD2 4.01Å; M330-F485 HydrophobicContact CG-CE2 3.73Å; F332-F485 HydrophobicContact CD1-CB 4.22Å; F332-F485 HydrophobicContact CD1-CG 4.38Å; W483-F485 HydrophobicContact CH2-CB 3.72Å; W483-F485 HydrophobicContact CZ2-CB 3.91Å; W483-F485 HydrophobicContact CZ3-CB 4.32Å; F485-L487 HydrophobicContact CE1-CG 4.23Å; F485-L487 HydrophobicContact CZ-CD2 3.97Å; F485-L487 HydrophobicContact CZ-CG 4.08Å; F485-A501 CarbonylContact O-C 3.53Å; F485-A501 WeakPolarHBondContact O-CA 3.18Å; F485-L502 PolarHBondContact N-O 2.83Å; F485-L502 PolarHBondContact O-N 2.87Å
486	T	96.7	Very high	93.3	Very high	2 Å²	2	41 Å²	41	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	162.7	177.1	-178.6	0	0	0	0	110.4	F415 R471 S488 S500	F415-T486 HydrophobicContact CE1-CG2 4.18Å; F415-T486 HydrophobicContact CE2-CG2 4.42Å; F415-T486 HydrophobicContact CZ-CG2 3.54Å; R471-T486 CarbonylContact C-O 2.97Å; R471-T486 HydrophobicContact CB-CG2 3.94Å; R471-T486 WeakPolarHBondContact CB-O 3.33Å; R471-T486 PolarHBondContact O-N 2.92Å; T486-S488 WeakPolarHBondContact OG1-CB 3.49Å; T486-S488 PolarHBondContact OG1-N 2.81Å; T486-S500 VanDerWaalsContact CB-O 3.32Å; T486-S500 WeakPolarHBondContact CB-O 3.4Å; T486-S500 PolarHBondContact OG1-O 2.95Å
487	L	95.1	Very high	93.3	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.042	23%	0.228	C	C	.	.	S	Bend	trans	-113.8	1.7	168.7	-64.5	167.9	0	0	0	111.7	P289 N290 Q291 H306 F485	P289-L487 HydrophobicContact CB-CB 4.14Å; P289-L487 WeakPolarHBondContact CB-O 3.03Å; P289-L487 HydrophobicContact CG-CB 4.17Å; P289-L487 VanDerWaalsContact CG-O 3.26Å; P289-L487 WeakPolarHBondContact CG-O 3.39Å; N290-L487 HydrophobicContact CB-CD1 4.36Å; Q291-L487 HydrophobicContact CG-CD1 4.26Å; H306-L487 WeakPolarHBondContact O-CD1 3.48Å; F485-L487 HydrophobicContact CE1-CG 4.23Å; F485-L487 HydrophobicContact CZ-CD2 3.97Å; F485-L487 HydrophobicContact CZ-CG 4.08Å
488	S	93.5	Very high	93.5	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.042	21%	0.212	C	C	.	.			trans	-79	138.6	173.4	-61.8	0	0	0	0	111.1	F415 T486	F415-S488 VanDerWaalsContact CE2-O 3.32Å; F415-S488 WeakPolarHBondContact CE2-O 3.42Å; F415-S488 WeakPolarHBondContact CZ-O 3.17Å; T486-S488 WeakPolarHBondContact OG1-CB 3.49Å; T486-S488 PolarHBondContact OG1-N 2.81Å
489	D	91.7	Very high	93.7	Very high	33 Å²	33	32.1 Å²	32.1	18%	0.176	18%	0.184	C	C	.	.			trans	-100	150.1	170.3	-81.2	-49.1	0	0	0	111.7	T431 K432 R471 T491 E494	T431-D489 WeakPolarHBondContact CB-OD1 3.3Å; K432-D489 PolarHBondContact N-OD1 2.71Å; R471-D489 VanDerWaalsContact CG-OD1 3.23Å; R471-D489 WeakPolarHBondContact CG-OD1 3.25Å; R471-D489 IonicContact CZ-OD1 2.85Å; R471-D489 IonicContact CZ-OD2 3.22Å; R471-D489 VanDerWaalsContact NE-CG 3.31Å; R471-D489 IonicContact NE-OD1 3.42Å; R471-D489 PolarHBondContact NE-OD1 3.49Å; R471-D489 IonicContact NE-OD2 3.79Å; R471-D489 PolarHBondContact NE-OD2 2.82Å; R471-D489 VanDerWaalsContact NE-OD2 3.12Å; R471-D489 IonicContact NH2-OD1 3.9Å; R471-D489 IonicContact NH2-OD2 3.78Å; R471-D489 PolarHBondContact NH2-OD2 3.3Å; D489-T491 HydrophobicContact CB-CG2 3.8Å; D489-T491 PolarHBondContact O-N 2.88Å; D489-E494 WeakPolarHBondContact O-CB 3.14Å; D489-E494 VanDerWaalsContact O-CG 3.29Å; D489-E494 WeakPolarHBondContact O-CG 3.41Å
490	R	91.3	Very high	93.8	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.011	15%	0.154	C	C	.	.			trans	-74.5	85.9	173.4	-66.7	-171.3	71	-125	-4.7	111.4	F415 D416 T431 K434 K436 N447	F415-R490 HydrophobicContact CB-CG 3.81Å; F415-R490 HydrophobicContact CD1-CG 3.94Å; F415-R490 HydrophobicContact CD2-CG 3.39Å; F415-R490 HydrophobicContact CE1-CG 4.3Å; F415-R490 HydrophobicContact CE2-CG 3.8Å; F415-R490 HydrophobicContact CG-CG 3.44Å; F415-R490 VanDerWaalsContact CG-CG 3.44Å; F415-R490 HydrophobicContact CZ-CG 4.22Å; D416-R490 IonicContact OD1-CZ 3.68Å; D416-R490 IonicContact OD1-NE 3.93Å; D416-R490 PolarHBondContact OD1-NE 3.49Å; D416-R490 IonicContact OD1-NH2 2.7Å; D416-R490 PolarHBondContact OD1-NH2 2.9Å; T431-R490 HydrophobicContact CG2-CG 4.09Å; K434-R490 PolarHBondContact N-O 2.8Å; K436-R490 PolarHBondContact O-NH2 3.48Å; N447-R490 VanDerWaalsContact CG-NH1 3.33Å; N447-R490 PolarHBondContact ND2-NH1 3.25Å; N447-R490 PolarHBondContact OD1-NH1 3.03Å
491	T	91.2	Very high	94.1	Very high	16 Å²	16	25 Å²	25	10%	0.098	14%	0.135	C	C	.	.			trans	-127.9	161.8	-178.1	69	0	0	0	0	112.4	K434 D489 T493 E494	K434-T491 HydrophobicContact CB-CG2 4.25Å; K434-T491 HydrophobicContact CD-CG2 3.73Å; K434-T491 HydrophobicContact CG-CG2 4.09Å; D489-T491 HydrophobicContact CB-CG2 3.8Å; D489-T491 PolarHBondContact O-N 2.88Å; T491-T493 PolarHBondContact O-N 3Å; T491-T493 PolarHBondContact OG1-OG1 2.82Å; T491-E494 VanDerWaalsContact O-CB 3.28Å; T491-E494 WeakPolarHBondContact O-CB 3.41Å; T491-E494 PolarHBondContact O-N 2.99Å; T491-E494 PolarHBondContact OG1-N 3.45Å; T491-E494 VanDerWaalsContact OG1-N 3.14Å
492	Q	89.5	Confident	94.3	Very high	154 Å²	154	23.2 Å²	23.2	72%	0.72	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.1	175.8	-67	-178.5	27.1	0	0	112.9	L435 P495	L435-Q492 HydrophobicContact CD2-CB 4.49Å; L435-Q492 HydrophobicContact CD2-CG 3.53Å; Q492-P495 WeakPolarHBondContact O-CD 3.2Å
493	T	89.4	Confident	94.3	Very high	91 Å²	91	23 Å²	23	56%	0.558	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-13	-179.1	51.4	0	0	0	0	113.5	T491 P495 Q496 S497	T491-T493 PolarHBondContact O-N 3Å; T491-T493 PolarHBondContact OG1-OG1 2.82Å; T493-P495 VanDerWaalsContact C-N 3.28Å; T493-Q496 PolarHBondContact O-N 3.18Å; T493-S497 PolarHBondContact O-N 2.68Å; T493-S497 PolarHBondContact O-OG 3.41Å
494	E	92.3	Very high	94.3	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.056	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-48.6	-43.2	177	-175.8	-81.3	136.8	0	0	112.8	K407 R413 L414 D489 T491 Q496 S497	K407-E494 WeakPolarHBondContact CE-OE1 3.37Å; K407-E494 PolarHBondContact NZ-O 2.8Å; K407-E494 IonicContact NZ-OE1 2.74Å; K407-E494 PolarHBondContact NZ-OE1 2.78Å; R413-E494 WeakPolarHBondContact CA-OE2 3.43Å; L414-E494 WeakPolarHBondContact CB-OE1 3.33Å; L414-E494 PolarHBondContact N-OE1 3.07Å; L414-E494 VanDerWaalsContact N-OE1 3.13Å; L414-E494 PolarHBondContact N-OE2 2.04Å; L414-E494 VanDerWaalsContact N-OE2 3.15Å; D489-E494 WeakPolarHBondContact O-CB 3.14Å; D489-E494 VanDerWaalsContact O-CG 3.29Å; D489-E494 WeakPolarHBondContact O-CG 3.41Å; T491-E494 VanDerWaalsContact O-CB 3.28Å; T491-E494 WeakPolarHBondContact O-CB 3.41Å; T491-E494 PolarHBondContact O-N 2.99Å; T491-E494 PolarHBondContact OG1-N 3.45Å; T491-E494 VanDerWaalsContact OG1-N 3.14Å; E494-Q496 PolarHBondContact O-N 3.42Å; E494-S497 PolarHBondContact O-N 3.47Å; E494-S497 VanDerWaalsContact O-N 3.09Å; E494-S497 VanDerWaalsContact O-O 3.11Å
495	P	92.6	Very high	94.2	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.013	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-65.6	-26.5	-176.4	-22.2	36.4	0	0	0	113.5	N411 I412 R413 Q492 T493	N411-P495 CarbonylContact C-O 3.43Å; N411-P495 WeakPolarHBondContact CA-O 3.3Å; N411-P495 PolarHBondContact N-O 2.89Å; I412-P495 PolarHBondContact N-O 2.85Å; I412-P495 WeakPolarHBondContact O-CA 3.04Å; R413-P495 HydrophobicContact CG-CB 4.15Å; R413-P495 HydrophobicContact CG-CG 3.8Å; Q492-P495 WeakPolarHBondContact O-CD 3.2Å; T493-P495 VanDerWaalsContact C-N 3.28Å
496	Q	92.2	Very high	94.1	Very high	97 Å²	97	28.9 Å²	28.9	45%	0.453	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-88.7	-10.2	-179.9	-56.3	-60.7	-23.2	0	0	112.9	G409 N411 T493 E494	G409-Q496 VanDerWaalsContact CA-O 3.26Å; G409-Q496 WeakPolarHBondContact CA-O 3.48Å; G409-Q496 CarbonylContact O-C 3.55Å; G409-Q496 WeakPolarHBondContact O-CA 3.1Å; G409-Q496 VanDerWaalsContact O-O 3.13Å; N411-Q496 PolarHBondContact OD1-NE2 3.15Å; N411-Q496 VanDerWaalsContact OD1-NE2 3.1Å; T493-Q496 PolarHBondContact O-N 3.18Å; E494-Q496 PolarHBondContact O-N 3.42Å
497	S	91.7	Very high	94	Very high	31 Å²	31	31.6 Å²	31.6	22%	0.217	18%	0.18	C	C	.	.	S	Bend	trans	-98.7	144.4	177	-54.5	0	0	0	0	109.6	K407 T493 E494	K407-S497 WeakPolarHBondContact CE-O 3.39Å; K407-S497 PolarHBondContact NZ-O 3.13Å; T493-S497 PolarHBondContact O-N 2.68Å; T493-S497 PolarHBondContact O-OG 3.41Å; E494-S497 PolarHBondContact O-N 3.47Å; E494-S497 VanDerWaalsContact O-N 3.09Å; E494-S497 VanDerWaalsContact O-O 3.11Å
498	P	94.1	Very high	94	Very high	13 Å²	13	32.8 Å²	32.8	8%	0.084	19%	0.186	C	C	.	.			trans	-62.3	156.8	166.5	-9.2	23.1	0	0	0	110.2	P289 E351 K407	P289-P498 WeakPolarHBondContact CD-O 3.49Å; E351-P498 HydrophobicContact CB-CB 4.15Å; E351-P498 VanDerWaalsContact O-CB 3.24Å; E351-P498 WeakPolarHBondContact O-CB 3.42Å; K407-P498 WeakPolarHBondContact O-CA 3.44Å
499	G	94.9	Very high	94.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	176.1	179.9	0	0	0	0	0	112.9	K407	K407-G499 VanDerWaalsContact CG-O 3.27Å; K407-G499 WeakPolarHBondContact CG-O 3.38Å; K407-G499 PolarHBondContact N-O 2.84Å; K407-G499 PolarHBondContact O-N 3.07Å; K407-G499 VanDerWaalsContact O-N 3.08Å
500	S	96.4	Very high	94.4	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.028	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	164.6	-174.3	67.7	0	0	0	0	113.6	N290 E351 Y404 I405 L414 T486	N290-S500 PolarHBondContact ND2-OG 2.03Å; N290-S500 PolarHBondContact OD1-OG 3.21Å; E351-S500 WeakPolarHBondContact OE2-CB 3.37Å; E351-S500 PolarHBondContact OE2-OG 2.88Å; E351-S500 VanDerWaalsContact OE2-OG 3.09Å; Y404-S500 VanDerWaalsContact CE2-CB 3.45Å; I405-S500 CarbonylContact O-C 3.56Å; I405-S500 WeakPolarHBondContact O-CA 3.4Å; I405-S500 VanDerWaalsContact O-CB 3.27Å; I405-S500 WeakPolarHBondContact O-CB 3.31Å; L414-S500 VanDerWaalsContact CD2-O 3.28Å; L414-S500 WeakPolarHBondContact CD2-O 3.46Å; T486-S500 VanDerWaalsContact CB-O 3.32Å; T486-S500 WeakPolarHBondContact CB-O 3.4Å; T486-S500 PolarHBondContact OG1-O 2.95Å
501	A	97.6	Very high	94.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.6	167.4	0	0	0	0	0	109.7	I405 L414 I419 C484 F485	I405-A501 PolarHBondContact N-O 3.4Å; I405-A501 PolarHBondContact O-N 3.44Å; L414-A501 HydrophobicContact CD1-CB 4.21Å; L414-A501 HydrophobicContact CD2-CB 4.25Å; I419-A501 HydrophobicContact CD1-CB 3.57Å; I419-A501 HydrophobicContact CG1-CB 3.97Å; C484-A501 HydrophobicContact CB-CB 4.43Å; F485-A501 CarbonylContact O-C 3.53Å; F485-A501 WeakPolarHBondContact O-CA 3.18Å
502	L	97.9	Very high	94.9	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	104.9	176.9	178.5	62.5	0	0	0	107.9	W303 T305 F332 L334 F389 M402 Y404 C484 F485	W303-L502 HydrophobicContact CH2-CD2 4.48Å; W303-L502 HydrophobicContact CZ3-CD1 4.32Å; W303-L502 HydrophobicContact CZ3-CD2 4.25Å; T305-L502 HydrophobicContact CG2-CD2 4.48Å; F332-L502 HydrophobicContact CD1-CD2 3.58Å; F332-L502 HydrophobicContact CD1-CG 4.49Å; F332-L502 HydrophobicContact CE1-CD2 3.58Å; F332-L502 HydrophobicContact CE1-CG 4.16Å; L334-L502 HydrophobicContact CD1-CD2 3.84Å; F389-L502 HydrophobicContact CE1-CD1 4.17Å; F389-L502 HydrophobicContact CZ-CD1 4Å; M402-L502 HydrophobicContact CB-CD1 4.02Å; M402-L502 HydrophobicContact CE-CD1 3.5Å; M402-L502 HydrophobicContact CE-CD2 3.99Å; M402-L502 HydrophobicContact CE-CG 3.34Å; M402-L502 HydrophobicContact CG-CD1 4.38Å; Y404-L502 HydrophobicContact CD2-CB 4.4Å; Y404-L502 HydrophobicContact CD2-CD1 4.4Å; Y404-L502 HydrophobicContact CG-CD1 4.49Å; C484-L502 CarbonylContact C-O 3.5Å; C484-L502 WeakPolarHBondContact CA-O 2.94Å; F485-L502 PolarHBondContact N-O 2.83Å; F485-L502 PolarHBondContact O-N 2.87Å
503	C	98.3	Very high	95.2	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	146.6	-169.5	-56.9	0	0	0	0	112.7	M402 R403 I482 W483 C484	M402-C503 CarbonylContact C-O 3.58Å; M402-C503 WeakPolarHBondContact CA-O 3.28Å; R403-C503 PolarHBondContact N-O 2.81Å; R403-C503 PolarHBondContact O-N 3.26Å; I482-C503 HydrophobicContact CD1-CB 3.83Å; I482-C503 HydrophobicContact CG1-CB 4.24Å; W483-C503 CarbonylContact O-C 3.54Å; W483-C503 WeakPolarHBondContact O-CA 3.31Å; C484-C503 HydrophobicContact CB-CB 4.08Å; C484-C503 WeakPolarHBondContact CB-SG 3.44Å; C484-C503 WeakPolarHBondContact SG-CB 3.17Å; C484-C503 CovalentContact SG-SG 2.04Å; C484-C503 PolarHBondContact SG-SG 3.45Å
504	S	97.5	Very high	95.5	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.6	176.7	-167	0	0	0	0	111.7	L400 T401 M402 W483 N506	L400-S504 WeakPolarHBondContact CD1-OG 3.33Å; T401-S504 PolarHBondContact O-OG 2.89Å; M402-S504 VanDerWaalsContact SD-CB 3.54Å; W483-S504 PolarHBondContact N-O 3.14Å; W483-S504 PolarHBondContact O-N 3.39Å; S504-N506 VanDerWaalsContact C-N 3.32Å; S504-N506 WeakPolarHBondContact OG-CB 3.32Å; S504-N506 PolarHBondContact OG-N 3.44Å
505	T	96.1	Very high	95.6	Very high	85 Å²	85	28 Å²	28	52%	0.521	17%	0.169	S	C	.	.			trans	-95	13.2	170.7	62.5	0	0	0	0	113	P481 I482 A507	P481-T505 WeakPolarHBondContact O-CA 3.4Å; P481-T505 WeakPolarHBondContact O-CB 3.44Å; P481-T505 WeakPolarHBondContact O-CG2 3.45Å; I482-T505 HydrophobicContact CD1-CG2 3.98Å; T505-A507 PolarHBondContact O-N 2.8Å
506	N	95.5	Very high	95.8	Very high	42 Å²	42	28.1 Å²	28.1	23%	0.225	17%	0.17	C	C	.	.			trans	-62.5	129.4	178.2	176.2	-78.7	0	0	0	111.2	L400 S504 L508 L509 Y510	L400-N506 HydrophobicContact CD1-CB 3.36Å; S504-N506 VanDerWaalsContact C-N 3.32Å; S504-N506 WeakPolarHBondContact OG-CB 3.32Å; S504-N506 PolarHBondContact OG-N 3.44Å; N506-L508 PolarHBondContact O-N 2.89Å; N506-L508 WeakPolarHBondContact OD1-CA 3.18Å; N506-L508 WeakPolarHBondContact OD1-CB 3.04Å; N506-L508 PolarHBondContact OD1-N 3Å; N506-L509 HydrophobicContact CB-CB 4.43Å; N506-L509 HydrophobicContact CB-CD1 4.1Å; N506-L509 HydrophobicContact CB-CG 4.48Å; N506-L509 PolarHBondContact O-N 2.81Å; N506-L509 PolarHBondContact OD1-N 3.37Å; N506-Y510 WeakPolarHBondContact O-CB 3.37Å; N506-Y510 PolarHBondContact O-N 3.1Å
507	A	94.5	Very high	95.8	Very high	58 Å²	58	23.7 Å²	23.7	48%	0.479	15%	0.15	S	C	.	.	H	α-helix	trans	-65.2	-37	-174.4	0	0	0	0	0	113.1	T505 N511	T505-A507 PolarHBondContact O-N 2.8Å; A507-N511 WeakPolarHBondContact O-CB 2.99Å; A507-N511 PolarHBondContact O-N 2.96Å; A507-N511 PolarHBondContact O-ND2 3.35Å
508	L	95.5	Very high	95.8	Very high	33 Å²	33	25.2 Å²	25.2	17%	0.173	17%	0.17	C	C	.	.	H	α-helix	trans	-63.6	-49.2	178.5	173.5	62.9	0	0	0	110.7	W197 L226 S227 N506 T512	W197-L508 HydrophobicContact CH2-CD2 3.94Å; W197-L508 HydrophobicContact CZ2-CD2 4.42Å; L226-L508 HydrophobicContact CD2-CD1 4.19Å; L226-L508 HydrophobicContact CD2-CG 4.35Å; S227-L508 WeakPolarHBondContact O-CD2 3.5Å; N506-L508 PolarHBondContact O-N 2.89Å; N506-L508 WeakPolarHBondContact OD1-CA 3.18Å; N506-L508 WeakPolarHBondContact OD1-CB 3.04Å; N506-L508 PolarHBondContact OD1-N 3Å; L508-T512 VanDerWaalsContact O-CB 3.25Å; L508-T512 WeakPolarHBondContact O-CB 3.37Å; L508-T512 PolarHBondContact O-N 3.37Å; L508-T512 PolarHBondContact O-OG1 3.01Å
509	L	97.2	Very high	95.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-50.1	176.4	-70	168.5	0	0	0	111.1	W197 L199 L226 L400 W483 N506 F513	W197-L509 HydrophobicContact CH2-CD1 4.4Å; W197-L509 HydrophobicContact CH2-CD2 4.22Å; W197-L509 HydrophobicContact CH2-CG 4.1Å; W197-L509 HydrophobicContact CZ3-CD1 4.41Å; W197-L509 HydrophobicContact CZ3-CD2 3.95Å; W197-L509 HydrophobicContact CZ3-CG 4.25Å; L199-L509 HydrophobicContact CD2-CD2 3.93Å; L226-L509 HydrophobicContact CD1-CD2 3.86Å; L400-L509 HydrophobicContact CD1-CD1 3.9Å; L400-L509 HydrophobicContact CD2-CD1 4.08Å; W483-L509 HydrophobicContact CB-CB 4.36Å; W483-L509 HydrophobicContact CD2-CB 4.12Å; W483-L509 HydrophobicContact CD2-CD2 4.47Å; W483-L509 HydrophobicContact CE3-CB 3.95Å; W483-L509 HydrophobicContact CE3-CD1 3.72Å; W483-L509 HydrophobicContact CE3-CD2 4.16Å; W483-L509 HydrophobicContact CE3-CG 4.16Å; W483-L509 HydrophobicContact CG-CB 4.34Å; W483-L509 HydrophobicContact CH2-CD2 4.1Å; W483-L509 HydrophobicContact CZ2-CD2 4.43Å; W483-L509 HydrophobicContact CZ3-CD1 3.65Å; W483-L509 HydrophobicContact CZ3-CD2 3.97Å; W483-L509 HydrophobicContact CZ3-CG 4.28Å; N506-L509 HydrophobicContact CB-CB 4.43Å; N506-L509 HydrophobicContact CB-CD1 4.1Å; N506-L509 HydrophobicContact CB-CG 4.48Å; N506-L509 PolarHBondContact O-N 2.81Å; N506-L509 PolarHBondContact OD1-N 3.37Å; L509-F513 VanDerWaalsContact O-CD2 3.32Å; L509-F513 WeakPolarHBondContact O-CD2 3.22Å; L509-F513 PolarHBondContact O-N 2.92Å; L509-F513 VanDerWaalsContact O-N 3.15Å
510	Y	97.1	Very high	95.5	Very high	9 Å²	9	28.4 Å²	28.4	4%	0.035	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-52.1	-179.8	175.9	-104.5	0	0	0	112.5	G475 A478 P481 I482 N506 T512 F513 S514	G475-Y510 WeakPolarHBondContact O-CE2 3.17Å; G475-Y510 PolarHBondContact O-OH 3.35Å; G475-Y510 VanDerWaalsContact O-OH 3.07Å; A478-Y510 WeakPolarHBondContact CA-OH 3.4Å; P481-Y510 HydrophobicContact CB-CD1 3.35Å; P481-Y510 HydrophobicContact CB-CD2 3.9Å; P481-Y510 HydrophobicContact CB-CE1 3.78Å; P481-Y510 HydrophobicContact CB-CE2 4.28Å; P481-Y510 HydrophobicContact CB-CG 3.41Å; P481-Y510 VanDerWaalsContact CB-CG 3.41Å; I482-Y510 VanDerWaalsContact N-CD2 3.33Å; I482-Y510 WeakPolarHBondContact O-CD2 3.42Å; N506-Y510 WeakPolarHBondContact O-CB 3.37Å; N506-Y510 PolarHBondContact O-N 3.1Å; Y510-T512 VanDerWaalsContact C-N 3.33Å; Y510-T512 PolarHBondContact O-N 2.81Å; Y510-F513 PolarHBondContact O-N 3.36Å; Y510-S514 WeakPolarHBondContact O-CB 3.38Å; Y510-S514 PolarHBondContact O-N 2.04Å
511	N	96.1	Very high	95.1	Very high	97 Å²	97	35.2 Å²	35.2	52%	0.519	22%	0.216	S	C	.	.	H	α-helix	trans	-64.4	-40	-175.8	-69.3	-21.6	0	0	0	111.6	A507 S515	A507-N511 WeakPolarHBondContact O-CB 2.99Å; A507-N511 PolarHBondContact O-N 2.96Å; A507-N511 PolarHBondContact O-ND2 3.35Å; N511-S515 VanDerWaalsContact O-CB 3.22Å; N511-S515 WeakPolarHBondContact O-CB 3.15Å; N511-S515 PolarHBondContact O-N 2.83Å
512	T	96.6	Very high	94.4	Very high	11 Å²	11	37.9 Å²	37.9	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-53.1	178.5	-57.7	0	0	0	0	110.6	L226 W234 L508 Y510 S515 M516	L226-T512 HydrophobicContact CD1-CG2 4.02Å; L226-T512 HydrophobicContact CD2-CG2 4.34Å; W234-T512 VanDerWaalsContact CD1-CG2 3.5Å; W234-T512 HydrophobicContact CD2-CG2 4.08Å; W234-T512 VanDerWaalsContact CE2-CG2 3.48Å; W234-T512 HydrophobicContact CG-CG2 4.08Å; W234-T512 HydrophobicContact CZ2-CG2 3.98Å; L508-T512 VanDerWaalsContact O-CB 3.25Å; L508-T512 WeakPolarHBondContact O-CB 3.37Å; L508-T512 PolarHBondContact O-N 3.37Å; L508-T512 PolarHBondContact O-OG1 3.01Å; Y510-T512 VanDerWaalsContact C-N 3.33Å; Y510-T512 PolarHBondContact O-N 2.81Å; T512-S515 PolarHBondContact O-N 2.9Å; T512-M516 HydrophobicContact CG2-SD 4.45Å; T512-M516 VanDerWaalsContact O-CG 3.3Å; T512-M516 WeakPolarHBondContact O-CG 3.48Å; T512-M516 PolarHBondContact O-N 2.97Å; T512-M516 VanDerWaalsContact O-N 3.13Å
513	F	96.7	Very high	93.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-75.8	-32.1	-176.8	-79	-93.9	0	0	0	113.6	L199 Y201 L226 W234 M330 W472 V474 W483 L509 Y510 M516 A517	L199-F513 HydrophobicContact CD2-CE2 3.48Å; L199-F513 VanDerWaalsContact CD2-CE2 3.48Å; L199-F513 HydrophobicContact CD2-CZ 3.6Å; Y201-F513 HydrophobicContact CE1-CE1 4.42Å; L226-F513 HydrophobicContact CD1-CE2 4.22Å; W234-F513 AromaticContact CH2-CE2 3.99Å; W234-F513 HydrophobicContact CH2-CE2 3.99Å; W234-F513 AromaticContact CH2-CZ 3.85Å; W234-F513 HydrophobicContact CH2-CZ 3.85Å; W234-F513 HydrophobicContact CZ2-CE1 4.4Å; W234-F513 AromaticContact CZ2-CE2 3.78Å; W234-F513 HydrophobicContact CZ2-CE2 3.78Å; W234-F513 AromaticContact CZ2-CZ 3.69Å; W234-F513 HydrophobicContact CZ2-CZ 3.69Å; M330-F513 HydrophobicContact CE-CE1 3.73Å; M330-F513 HydrophobicContact CE-CZ 3.67Å; M330-F513 HydrophobicContact SD-CZ 4.13Å; W472-F513 AromaticContact CD1-CE1 3.76Å; W472-F513 AromaticContact CD2-CD1 3.44Å; W472-F513 HydrophobicContact CD2-CD1 3.44Å; W472-F513 VanDerWaalsContact CD2-CD1 3.44Å; W472-F513 AromaticContact CD2-CE1 3.79Å; W472-F513 HydrophobicContact CD2-CE1 3.79Å; W472-F513 AromaticContact CE2-CD1 3.43Å; W472-F513 VanDerWaalsContact CE2-CD1 3.43Å; W472-F513 AromaticContact CE2-CE1 3.67Å; W472-F513 HydrophobicContact CE3-CB 4.35Å; W472-F513 AromaticContact CE3-CD1 3.69Å; W472-F513 HydrophobicContact CE3-CD1 3.69Å; W472-F513 HydrophobicContact CE3-CE1 4.46Å; W472-F513 HydrophobicContact CE3-CG 4.43Å; W472-F513 AromaticContact CG-CD1 3.97Å; W472-F513 HydrophobicContact CG-CD1 3.97Å; W472-F513 AromaticContact CG-CE1 3.84Å; W472-F513 HydrophobicContact CG-CE1 3.84Å; W472-F513 HydrophobicContact CH2-CB 4.38Å; W472-F513 AromaticContact CH2-CD1 3.9Å; W472-F513 HydrophobicContact CH2-CD1 3.9Å; W472-F513 AromaticContact CZ2-CD1 3.66Å; W472-F513 HydrophobicContact CZ2-CD1 3.66Å; W472-F513 HydrophobicContact CZ2-CE1 4.22Å; W472-F513 HydrophobicContact CZ3-CB 4.09Å; W472-F513 AromaticContact CZ3-CD1 3.92Å; W472-F513 HydrophobicContact CZ3-CD1 3.92Å; W472-F513 AromaticContact NE1-CD1 3.92Å; W472-F513 AromaticContact NE1-CE1 3.64Å; V474-F513 HydrophobicContact CG1-CB 3.5Å; W483-F513 AromaticContact CD1-CD1 3.86Å; W483-F513 AromaticContact CD1-CD2 3.55Å; W483-F513 AromaticContact CD1-CG 3.36Å; W483-F513 AromaticContact CE2-CD2 3.92Å; W483-F513 AromaticContact CE2-CE2 3.76Å; W483-F513 HydrophobicContact CG-CD2 4.29Å; W483-F513 HydrophobicContact CG-CG 4.42Å; W483-F513 AromaticContact CZ2-CE2 3.97Å; W483-F513 HydrophobicContact CZ2-CE2 3.97Å; W483-F513 HydrophobicContact CZ2-CZ 4.04Å; W483-F513 AromaticContact NE1-CD1 3.42Å; W483-F513 AromaticContact NE1-CD2 3.26Å; W483-F513 VanDerWaalsContact NE1-CD2 3.26Å; W483-F513 AromaticContact NE1-CE1 3.57Å; W483-F513 AromaticContact NE1-CE2 3.42Å; W483-F513 AromaticContact NE1-CG 3.25Å; W483-F513 VanDerWaalsContact NE1-CG 3.25Å; W483-F513 AromaticContact NE1-CZ 3.57Å; L509-F513 VanDerWaalsContact O-CD2 3.32Å; L509-F513 WeakPolarHBondContact O-CD2 3.22Å; L509-F513 PolarHBondContact O-N 2.92Å; L509-F513 VanDerWaalsContact O-N 3.15Å; Y510-F513 PolarHBondContact O-N 3.36Å; F513-M516 HydrophobicContact CD1-SD 4.38Å; F513-M516 PolarHBondContact O-N 3.11Å; F513-A517 WeakPolarHBondContact O-CB 2.97Å; F513-A517 PolarHBondContact O-N 3.17Å
514	S	95.5	Very high	92.6	Very high	28 Å²	28	49.5 Å²	49.5	20%	0.196	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-39.2	173.9	-173.4	0	0	0	0	111.1	Y510 A517 G518	Y510-S514 WeakPolarHBondContact O-CB 3.38Å; Y510-S514 PolarHBondContact O-N 2.04Å; S514-A517 PolarHBondContact O-N 3.18Å; S514-G518 PolarHBondContact O-N 3.49Å
515	S	94.7	Very high	92	Very high	71 Å²	71	54 Å²	54	50%	0.497	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-45.7	172.3	-179.9	0	0	0	0	111.8	N511 T512 A517 G518 M519	N511-S515 VanDerWaalsContact O-CB 3.22Å; N511-S515 WeakPolarHBondContact O-CB 3.15Å; N511-S515 PolarHBondContact O-N 2.83Å; T512-S515 PolarHBondContact O-N 2.9Å; S515-A517 PolarHBondContact O-N 3.25Å; S515-G518 PolarHBondContact O-N 3.33Å; S515-M519 WeakPolarHBondContact O-CE 3.34Å; S515-M519 PolarHBondContact O-N 2.87Å
516	M	95	Very high	91.7	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.02	31%	0.306	C	S	.	.	H	α-helix	trans	-58	-46.7	175.1	-67.5	174.8	64.8	0	0	112	Y201 W234 M452 R453 I454 T512 F513 M519	Y201-M516 HydrophobicContact CD1-CE 4.48Å; Y201-M516 HydrophobicContact CE1-CE 3.86Å; W234-M516 HydrophobicContact CZ2-SD 3.98Å; W234-M516 PolarHBondContact NE1-SD 2.95Å; M452-M516 HydrophobicContact CE-CE 3.94Å; M452-M516 HydrophobicContact CG-CB 4.13Å; M452-M516 HydrophobicContact CG-CE 4.05Å; M452-M516 HydrophobicContact SD-CE 3.81Å; R453-M516 WeakPolarHBondContact O-CG 3.07Å; I454-M516 HydrophobicContact CD1-CE 4.33Å; I454-M516 HydrophobicContact CG1-CE 3.58Å; I454-M516 HydrophobicContact CG1-SD 4.29Å; T512-M516 HydrophobicContact CG2-SD 4.45Å; T512-M516 VanDerWaalsContact O-CG 3.3Å; T512-M516 WeakPolarHBondContact O-CG 3.48Å; T512-M516 PolarHBondContact O-N 2.97Å; T512-M516 VanDerWaalsContact O-N 3.13Å; F513-M516 HydrophobicContact CD1-SD 4.38Å; F513-M516 PolarHBondContact O-N 3.11Å; M516-M519 PolarHBondContact O-N 3.17Å
517	A	92.8	Very high	91.5	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-39.6	177.5	0	0	0	0	0	112.2	M428 I448 W472 V474 F513 S514 S515 M519 A520	M428-A517 HydrophobicContact CE-CB 4.11Å; M428-A517 HydrophobicContact SD-CB 4.25Å; I448-A517 HydrophobicContact CD1-CB 3.65Å; I448-A517 HydrophobicContact CG1-CB 4.4Å; W472-A517 HydrophobicContact CH2-CB 4.13Å; W472-A517 HydrophobicContact CZ3-CB 4.42Å; V474-A517 HydrophobicContact CG2-CB 4.01Å; F513-A517 WeakPolarHBondContact O-CB 2.97Å; F513-A517 PolarHBondContact O-N 3.17Å; S514-A517 PolarHBondContact O-N 3.18Å; S515-A517 PolarHBondContact O-N 3.25Å; A517-M519 VanDerWaalsContact C-N 3.27Å; A517-M519 PolarHBondContact O-N 2.83Å; A517-A520 WeakPolarHBondContact O-CB 3.26Å; A517-A520 PolarHBondContact O-N 3.07Å; A517-A520 VanDerWaalsContact O-N 3.1Å
518	G	92	Very high	91.4	Very high	63 Å²	63	52.8 Å²	52.8	65%	0.649	30%	0.301	S	S	*	.	H	α-helix	trans	-68.1	-22.3	-179.6	0	0	0	0	0	114.4	S514 S515	S514-G518 PolarHBondContact O-N 3.49Å; S515-G518 PolarHBondContact O-N 3.33Å
519	M	91.8	Very high	91.1	Very high	66 Å²	66	53.9 Å²	53.9	33%	0.325	31%	0.309	S	S	.	.	H	α-helix	trans	-81.5	-18.7	172.2	-70.3	-176.3	-74.2	0	0	113.3	R453 V455 S515 M516 A517	R453-M519 HydrophobicContact CB-CE 4.09Å; R453-M519 HydrophobicContact CB-SD 4.23Å; R453-M519 WeakPolarHBondContact O-CE 3.12Å; V455-M519 HydrophobicContact CG2-CE 3.86Å; V455-M519 HydrophobicContact CG2-SD 3.9Å; S515-M519 WeakPolarHBondContact O-CE 3.34Å; S515-M519 PolarHBondContact O-N 2.87Å; M516-M519 PolarHBondContact O-N 3.17Å; A517-M519 VanDerWaalsContact C-N 3.27Å; A517-M519 PolarHBondContact O-N 2.83Å
520	A	91.6	Very high	90.8	Very high	14 Å²	14	57.3 Å²	57.3	12%	0.116	33%	0.328	C	S	.	.	S	Bend	trans	-85.7	159.2	-178.9	0	0	0	0	0	111.6	I448 D450 M452 A517	I448-A520 HydrophobicContact CG2-CB 3.54Å; D450-A520 CarbonylContact O-C 3.59Å; D450-A520 WeakPolarHBondContact O-CA 3.41Å; M452-A520 HydrophobicContact CB-CB 4.19Å; A517-A520 WeakPolarHBondContact O-CB 3.26Å; A517-A520 PolarHBondContact O-N 3.07Å; A517-A520 VanDerWaalsContact O-N 3.1Å
521	K	86.6	Confident	90.3	Very high	147 Å²	147	60.5 Å²	60.5	64%	0.639	35%	0.348	S	S	*	.			trans	-75	136.7	166.1	-65.4	177.4	-176.5	170.9	0	108.9	Q449 D450	Q449-K521 PolarHBondContact N-O 3.19Å; D450-K521 PolarHBondContact O-N 3.46Å
522	S	82.8	Confident	89.9	Confident	56 Å²	56	57.9 Å²	57.9	39%	0.392	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-120.9	143.8	169	57.9	0	0	0	0	110.2	N447	N447-S522 WeakPolarHBondContact O-CA 3.26Å
523	E	79.1	Confident	89.4	Confident	64 Å²	64	61.5 Å²	61.5	30%	0.299	36%	0.356	S	S	.	.			trans	-62.7	142.1	170.7	-72.7	-178	-176.8	0	0	109.5	N437 F446 N447 Q449	N437-E523 VanDerWaalsContact ND2-C 3.29Å; N437-E523 WeakPolarHBondContact ND2-CB 3.27Å; N437-E523 PolarHBondContact ND2-O 3.26Å; N437-E523 PolarHBondContact OD1-OE2 2.96Å; F446-E523 WeakPolarHBondContact CD1-O 3.39Å; N447-E523 PolarHBondContact O-N 2.9Å; Q449-E523 HydrophobicContact CG-CG 3.84Å; Q449-E523 PolarHBondContact NE2-OE1 2.84Å
524	K	80.4	Confident	88.8	Confident	185 Å²	185	66.7 Å²	66.7	80%	0.804	39%	0.386	S	S	*	.			trans	-91.9	154	173.2	-64.7	-174	179.9	-178.8	0	111.2
525	C	83.6	Confident	88.2	Confident	98 Å²	98	70.2 Å²	70.2	66%	0.662	40%	0.403	S	S	*	.			trans	-84	0	149.3	-63.1	0	0	0	0	106.8	C439 F446	C439-C525 WeakPolarHBondContact CA-SG 3Å; C439-C525 HydrophobicContact CB-CB 3.72Å; C439-C525 WeakPolarHBondContact CB-SG 3.22Å; C439-C525 VanDerWaalsContact SG-CA 3.52Å; C439-C525 WeakPolarHBondContact SG-CB 2.78Å; C439-C525 CovalentContact SG-SG 2.04Å; C439-C525 PolarHBondContact SG-SG 3.13Å; F446-C525 HydrophobicContact CE1-CB 4.23Å; F446-C525 VanDerWaalsContact CE1-SG 3.55Å

Retrieved 525 of 525 residues in 425.3 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).